Contents

3 Welcome 5 Profiles 37 Publications 51 Staff and students 55 Student prizes & scholarships 58 Ruth Gall profile 60 Graduates of 2017

Front cover: Portrait of A/Prof. Ruth Gall (1923-2017), the first woman to Head the School of Chemistry at the University of Sydney, painted by local artist Dr Kate Gradwell. The School of Chemistry at the University of Sydney is one of the main centres for chemical research and education in Australia and has access to a comprehensive range of modern research and teaching facilities. The School attracts an outstanding cohort of undergraduate students including talented students from all states of Australia. It has a large cohort of both local and international postgraduate research students and offers a vibrant and world class research environment. GENERAL INFORMATION 3

WELCOME HEAD OF SCHOOL

Professor Phil Gale at such conferences, reflecting both the excellence of the Head of School School of Chemistry research they are undertaking and their outstanding ability to present this to an audience. Highlights of the awards to staff and students in 2017 include the RJW Le Fèvre Memorial Prize to A/Prof Deanna D’Alessandro; Dr Ivan Kassal was the recipient of the Tall Poppy Award; A/Prof Liz New was a finalist in the 3M Eureka Prize for emerging leader in science; Prof Kate Jolliffe was awarded A.J. Birch Medal; Mr Phil Karpati was the global winner of the 2017 Undergraduate Awards - Phil was also awarded a 2017 Westpac Future Leaders scholarship; and the RACI Cornforth Medal for the best PhD thesis in Australia went to Ms Amandeep Kaur. Our research leadership in many areas is built on our collective expertise and experience with major national and international research facilities including the Australian Synchrotron and ANSTO Opal research reactor, as well as international collaborations and facilities such as the 2017 saw the School of Chemistry sustain and strengthen Australian National Beamline in Japan, the US NIST Center its leadership position in research and teaching in Australia for Neutron Research and the UK’s Rutherford-Appleton and internationally. The University of Sydney remained in the Laboratory. This is substantially enhanced by the research top 50 Universities for Chemistry in the QS rankings and infrastructure housed both within the School and the new given the strong competition from across the globe, this University-wide core facilities, supported by dedicated was a great achievement. Our collective research interests high-level professional and technical expertise, including are wide and varied, and the achievements of our research NMR Spectroscopy, Mass Spectrometry, Vibrational and groups, led by academic staff members and described in this Optical Spectroscopy, X-ray Crystallography, Separations, report, result from the contribution of all School members Thermophysical Properties and High-Performance towards projects that span the traditional discipline of Computing. chemistry and reach beyond it to a diverse range of areas, including new materials, renewable energy and medicine. While our own undergraduate students continue to be the Collaborations both within and beyond the School serve to lifeblood of our outstanding cohort of research students, our strengthen our collective research performance. international research student numbers are also a significant factor in both quality and our continually growing reputation Our publication output, competitive research grant success in the region. Research is also strongly embedded into our and awards to School members all attest to our continued teaching program. In addition to the 100 higher degree high level of research performance. In 2017, members research students in the School in 2017 there were 40 of the School received over $4.2M in new research honours students undertaking year-long, research-intensive funding, leading to a total of 19 Discovery Grants, 2 Future training, as well as numerous undergraduate scholars Fellowships, 2 other Fellowships, and 5 Linkage Grant completing Talented Student Program research projects from the Australian Research Council, totaling (with other and summer research scholarships. This large cohort of grants) $8.1M in competitive research funding. In 2017 the students fosters a strong and vibrant research environment, School maintained its strong publication record, collectively and, together with our visiting seminar speakers and producing 1 book chapter and 249 research papers. Our collaborators, contributes to making the School an exciting research publications continue to be directed towards place in which to work. highly ranked international journals. Staff and research students maintain our significant presence at national and international conferences and many of our research Professor Phil Gale students have been awarded prizes for their presentations Head of School

RESEARCH PROFILES 5

ASSOCIATE PROFESSOR RON CLARKE The focus of our research is on the function of ion- transporting membrane proteins, without which no cellular life forms are imaginable. We are interested in the mechanisms of these enzymes, their physiological regulation by their membrane environment and their chemical evolution. Our major object of investigation has for many years been the sodium pump.

BIOPHYSICAL CHEMISTRY OF Allen, we found evidence that the level of approximately 40 mol%, and MEMBRANES Na+,K+-ATPase undergoes fluctuations animals even synthesize cholesterol Mechanism and regulation of the in its membrane hydrophobic thickness via multi-step enzymatic pathways. Na+,K+-ATPase (Cornelius1, Allen2, in the course of its catalytic cycle. To Therefore, animals must produce Rasmussen3): The Na+,K+-ATPase, prevent unsustainable energy losses cholesterol for some good reason. which is found in the plasma the surrounding lipid membrane must The aim of this project is to discover membrane of all animal cells, utilizes accommodate these fluctuations by the role that cholesterol plays in cell the free energy derived from ATP local membrane deformations (see membrane function, a question that has + hydrolysis for the transport of Na figure). puzzled physiologists, biochemists and + ions out of and K ions into the cell. biophysicists for decades. In a recent The concentration gradients of Role of cholesterol in membrane bioinformatics study we found evidence + + Na and K thus generated across function: Cholesterol has a very suggesting that cholesterol co-evolved the cell membrane have numerous bad reputation. Even amongst the within animal cell membranes to important physiological functions, e.g. general public it is now common optimise the activity of the Na+,K+- maintenance of the resting potential in knowledge that high blood cholesterol ATPase and allow the development of nerve cells, cell volume regulation and levels are an important risk factor for multicellularity. We are now undertaking nutrient reabsorption in the kidney. the development of cardiovascular a detailed study on the effects of The aim of this project is to determine disease. Indeed, cholesterol has such cholesterol and its derivatives on the kinetics and thermodynamics a bad name that food companies membrane physical properties to see of the enzyme’s complex reaction even use the label “no cholesterol” if these correlate with their effects on cycle and thus obtain a deeper as a marketing ploy on olive oil, sugar understanding of the mechanism of membrane protein function. and many other products which have ion pumping and how it is coupled to no reason to contain cholesterol at 1 ATP hydrolysis. Major tools involved in University of Aarhus, Denmark all. However, cholesterol is present 2 these investigations are stopped-flow RMIT University, Melbourne in animal plasma membranes to a 3 Royal North Shore Hospital, Sydney fluorescence spectroscopy, which allows conformational changes of the enzyme to be resolved on the millisecond timescale, isothermal titration calorimetry, which can resolve the heat released in individual reactions, and whole-cell patch clamp, which enables the electrical current across the cell membrane produced by the Na+,K+-ATPase in a living cell to be directly measured.

In other experiments and molecular dynamics simulations, carried out in collaboration with Professor Toby 6 RESEARCH PROFILES

PROFESSOR MAXWELL J CROSSLEY, FAA, FRSN

Novel porphyrin systems were synthesized and used for the study of artificial photosynthesis and as photo- induced water splitting catalysts. Integration of organic substances into self-assembled silica-based materials was achieved.

between adsorption configuration tovoltaic-energy conversion are under and molecular conformation was investigation. Ring annulated porphyrins FUNCTIONAL ORGANIC elucidated. New ways of stabilizing behave as p-expanded systems and MOLECULES porphyrin self-assembled monolayers they are very efficient sensitizers for Porphyrins and their properties (Sintic, were explored. New synthetic routes to energy upconversion whereby a stream Brooks, Canfield, Reimers, Roberts, Per- 5,10,15,20-tetra(w-functionalised-alkyl) of light of a given photon energy is rier): Using functionalisation processes porphyrins were established. A priori converted into one of a higher energy. developed in our laboratory, regioselec- calculations of the free energy of forma- Work continued on the development of tive synthesis of bio-inspired oligopor- tion from solution of polymorphic self- phthalocyanine anologues. Synthetic phyrin helices was further developed. assembled monolayers was achieved routes to p-expanded phthalocyanine Molecular modeling showed that these for the first time. These are shown to systems were explored but these com- structures are akin to RNA. There are predict and/or interpret newly measured pounds were found to be more difficult many possible uses of this new class and existing high-resolution scanning to synthesise and be less amenable to of compounds. New triazole–linked tunnelling microscopy (STM) images of scale-up than the previously developed porphyrin–polymer dendritic compounds SAM structure, rationalizing polymorph porphyrin compounds were synthesized for construction of formation conditions. A wide range of porphyrin arrays for use in light harvest- new molecular condensed-matter prop- Porphyrin analogues as Gingivitis in- ing and in catalysis. erties at room temperature now appear hibitors (Hunter,* Dingsdag*): A series of lysine-linked porphyrin-metronidazole Self-assembled silica microwires suitable for prediction and analysis using analogues, synthesized in earlier work, (Naqshbandi, Ma, Lindoy, Canning, electronic-structure calculations. are recognized by cell surface HA2 Cook, Peng,* Huyang, Kristensen,* Mar- Synthesis and photophysics of models receptors of the gingipains of Por- telli*): A new platform for optical sens- for the photosynthetic reaction centre phyromonas gingivalis with very high ing was developed by room temperature (Naqshbandi, Canning, Sintic, Reimers, selectivity. These hybrid compounds self-assembly of silica nanoparticles Fukuzumi,* Ohkubo,* Yamada*): Tris- were found to be very good inhibitors of into microwires that have been grown and tetrakis-porphyrin chemical mimics the organism. Most importantly, unlike to 13 cm in length. These wires are of the chromophore arrangement of the metronidazole, the new inhibitors did not remarkably uniform and hundreds are photosynthetic reaction centre (PRC) produced at a time without the need for have been further studied. These are kill a range of other anaerobic bacteria further processing. Organic materials the closest synthetic mimics of the isolated from the oral cavity and human including porphyrins and enzymes were natural systems to have been developed gut. Trans-cell membrane transport and incorporated into the microwires and anywhere. A composite of nearly mono- in-cell processing were further studied. self-assembled micro-slabs. Work is 3+ The surface lysine-specific gingipain pro- dispersed Al -doped SiO2 nanoparticles ongoing looking at new composites and (20-30 nm) possessing interparticle me- tease that recognises the porphyrin sys- exploring new possibilities for functional sospaces suitable for incorporating Pt tem was established to not be involved devices. nanoparticles and an organic photocata- in direct trans-cell membrane transport but is probably responsible for haem m- Porphyrins on surfaces (Reimers, lyst (2-phenyl-4-(1-naphthyl)quinolinium oxo dimer production from haemoglobin Indusegaram, Tong, Rehn, Kafi,* ion) acts as an efficient catalyst for photocatalytic H evolution in water. and its cell-surface accumulation. Naqshbandi, Choucair, Elemans*): A 2 conductive network of crosslinked Efficient photochemical up-conversion Porphyrin bioconjugates (Taba, Sintic): carbon nanotube/cytochrome c on by triplet-triplet annihilation using Synthetic and biological studies of graphene surfaces were constructed. porphyrins and related compounds porphyrin-steroids based on the natural Polymorphism in porphyrin monolay- (Visser, Schmidt,* Cheng*): Molecular steroids estrone, estrogen and lithocho- ers was also explored and the relation approaches to next-generation pho- lic acid were completed. RESEARCH PROFILES 7

ASSOCIATE PROFESSOR DEANNA D’ALESSANDRO

Our research spans the areas of inorganic chemistry, physical chemistry and materials science and focuses on the development of functional inorganic materials which exhibit novel optical and electronic phenomena.

FUNCTIONAL INORGANIC MATERIALS Multifunctional light-activated metal-organic frameworks (MOFs) (Shepherd, Sherman): Our work has involved the use of light to modulate the size and polarity of the pores in MOFs by exploiting light responsive reactions. We have synthesised novel viologen- and spiropyran-based ligands, along with electroactive light-active ligands such as tetrathiafulvalenes Figure 2: A graphitic honeycomb MOF that displays Figure 3: Schematic of a MOF that have been incorporated into intrinsic conductivity due to mixed valency desalination membrane 2- and 3-dimensional materials. The physical properties of these materials (Figure 2). Solid state electrochemistry are beginning to unravel the origins have been found to change reversibly and novel spectroelectrochemical of unusual physical phenomena which upon light irradiation (Figure 1). Our techniques have been developed arise from the interplay between ultimate goal is the use of sunlight as a to investigate the charge transfer multiple framework properties. clean and renewable energy source to and conductivity properties. The Carbon dioxide capture and facilitate gas separations using porous opportunities for advances at a conversion (Solomon, Kepert): materials. fundamental and applied level are The development of more efficient immense, with potential applications Electroactive MOFs (Murase, Ding, processes for CO capture is ranging from sensors to molecular 2 Leong, Sherman): Our work has considered key to the reduction of electronics devices. involved the design and synthesis of greenhouse gas emissions implicated MOFs which exhibit the highly sought The interplay between conductivity in global warming. Our work has after property of redox activity and and magnetism in microporous involved the synthesis of novel salen ultimately, electronic conductivity materials (Doheny, Ding, Kepert): In and sulfone-tagged ligands and their collaboration with incorporation into air- and water- Professor Cameron stable MOF architectures. These Kepert, we have materials exhibit high selectivities synthesised novel for the uptake of carbon dioxide over triselenafulvalene the other major components of flue ligands and have gas streams, and we are currently incorporated these investigating the nature of the CO2 into new charge framework interactions which give rise transfer framework to this activity. We are also currently structures. Using integrating MOFs into membranes conductivity, for desalination in collaboration with magnetism and Chemical Engineering at UNSW Figure 1: The novel MOF incorporating cofacially-aligned tetrathiafulvalene units. EPR studies we Light-irradiation induces cyclisation of the ligands and crystal ‘breathing’. (Figure 3). 8 RESEARCH PROFILES

DR ADRIAN GEORGE

In our current research we are interested in developing analytical methods sensitive enough to detect doping in competitive sport and to identify the origin of illegal drug seizures.

SYNTHESIS AND ANALYSIS Blood is collected using a ‘finger prick’ and/or reagents which can be carried Detection of drug use in sport method, commonly used to test blood over into the final product unchanged (Tangvisethpat): Performance sugar levels. The blood is collected or they can react and be transformed enhancing drug abuse is a persistent onto a sampling medium (an example is into other products. Impurities can problem in the sporting community, illustrated) which can then be punched also be generated as by-products as well as in wider society. The need out and analysed in the laboratory. in the drug manufacturing process. Finally the conditions of storage, for fast, cheap, broad-coverage This research has coupled High such as exposure to light and heat, screening methods is imperative to Performance Liquid Chromatography as well as cutting agents introduced ensure fairness in competition and with High Resolution Mass to preserve the health of athletes. may affect the drug and/or impurities, Spectrometry. A fast throughput Routine testing of athletes in thus introducing new impurities. screening method has been developed competitive sport involves collection of Research is being undertaken to link as part of the method validation. A urine samples. This is a non-invasive the impurity profile in a reaction with total of 230 different drugs in eight form of sampling and provides an method and conditions of synthesis. classes (anabolic agents, b2-agonists, inherently sensitive matrix. However This will enable a ‘finger print’ of a hormones, diuretics, stimulants, urine may be subject to tampering, has synthetic approach to be established narcotics, cannibimimetics, b-blockers) storage and transportation problems and, ultimately, provide a method to have been examined and most can be and, if the athlete is dehydrated after determine the origin of batches of detected in the low ng/mL range. strenuous exercise, may be difficult to seized drugs. Recently, very pure collect. Current blood analyses require Profiling of synthetic illicit drugs samples of some synthetic drugs, such invasive venipuncture and relatively (Grzechnik): Trace impurities in as methylamphetamine, have been large sample volume collection. clandestine manufactured drugs are seized. This makes chemical profiling Improvements in instrument sensitivity the result of a number of reasons. by use of the impurities more difficult. have made it possible to explore dried They can be due to impurities being In these cases, profiling is based on the blood spot analyses. present in the precursors, solvents use of isotope ratio mass spectrometry. RESEARCH PROFILES 9

PROFESSOR TREVOR W HAMBLEY* The projects listed below are all associated with biologically active metal complexes. The emphasis is on anti-cancer drugs and our aim is to develop drugs that have a high selectivity for tumours based on their chemistry and biochemistry and have an ability to penetrate into solid tumours. High selectivity has the potential to overcome many of the toxic side effects of existing drugs and allow higher doses to be used. Better tumour penetration will enable the destruction of cells that presently evade treatment and contribute to resistance.

MEDICINAL INORGANIC CHEMISTRY and 3-dimensional cellular models of croenvironments found in solid tumours Monitoring the penetration and solid tumours (spheroids). In Figure 1 are was continued. These complexes are effectiveness of anticancer drugs in elemental maps showing platinum and designed to exploit one or more of: the solid tumour models (Chen, Glenister, zinc distributions in tumour spheroids, lower oxygen concentration, the lower Renfrew): A limiting factor in the that have been dosed and incubated extracellular pH, the higher expression effectiveness of current anti-cancer with model platinum based anti-cancer of cell membrane bound systems for the uptake of glucose, folate, or PSMA treatments is the inability of the drug drugs, were generated using synchrotron substrates, or the higher extracel- to penetrate throughout the entire generated X-ray radiation. lular expression of proteases such as tumour at concentrations sufficient Targeted delivery of metal complexes matrix metalloproteases and kallikrein 3 to kill all cancer cells. The aim of this for anticancer applications (Chen, (PSA). Studies of cellular and spheroid project is to develop and use techniques Glenister, Lim, Renfrew, Simone*, Tondl): accumulation and distribution were un- to study anti-cancer drug penetration The preparation of complexes designed dertaken for a series of platinum(IV) and and the effect of those drugs on cell to target tumour cells and to improve cobalt(III) complexes. status and viability in cell monolayer uptake and activity in the various mi- Work was continued into the stabilisa- tion of platinum(IV) compounds and their functionalisation with targeting groups. New examples of a novel series of platinum(IV) complexes that gener- ate a positively charged platinum(II) complex on reduction were sought and synthetic strategies for adding targeting groups such as the PSMA substrate were investigated. The intracellular ac- cumulation and reduction of platinum(IV) complexes was studied using XANES spectroscopy and X-ray fluorescence microscopy. Work was continued on the attachment of sugar groups to the axial sites of platinum(IV) complexes and to the carrier ligands of hypoxia selective cobalt(III) chaperone complexes. New strategies for preparing and functionalis- ing the carrier ligands of the cobalt(III) complexes were developed and cobalt complexes were prepared with novel Figure 1: XRF elemental maps of whole DLD-1 spheroids dosed with cis-platinum(II) (1) and cis-platinum(IV) (2 and 3) complexes at 50 µM and incubated for 6 h, showing Zn, Pt and scattered X-rays. Maximal densities are shown. anticancer agents attached. 10 RESEARCH PROFILES

PROFESSOR PETER R HARROWELL

I am interested in understanding the structure, dynamics and phase transitions of liquids and solids. Topics include understanding the relation between glassy solids and viscous liquids, the factors that control how fast a liquid can freeze and how rigidity comes to be. My tools are model building, computer simulation and theoretical analysis.

THEORETICAL CHEMISTRY report how the stability of the glass described by the spatial distribution surface determined the dissolution of the probability of reorganizations Ultra fast crystal growth of pure rate and explore the possibility of (centre panel) but rather by the metals (Sun): We typically associate using solvent etching to visualize activated dynamics with processes distribution of irreversibility (right heterogeneous mobilities of the solid. occurring a liquid such as diffusion and panel). chemical reactions. It is remarkable, Chemical ordering and crystal therefore, that crystal growth of pure growth at the liquid surface (Tang, metals occurs with no sign of thermal UNSW): While a good glass former, activation at all. Using computer Cu Zr shows no evidence of surface simulations we have established that 50 50 the extraordinary high growth rates enhancement of crystallization, Ni Al exhibits an increased rate of (~ 100m/s) of these crystals is a result 50 50 of a highly effective pre-ordering of crystallization due to heterogeneous the liquid in advance of the interface, nucleation at the free liquid surface. an effect only made visible by applying The difference in the compositional computer methods developed to study fluctuations at the interface is relaxation in glass-forming liquids. The role of dynamic reversals in proposed as the explanation of the the slow dynamics close to the distinction between the two alloys. glass transition (Sun): The growing heterogeneity of relaxation kinetics observed in a supercooled liquid on cooling is shown to arise from the spatial heterogeneity of the likelihood of reversal of reorganization rather than from the probability of the reorganization itself. Computer simulations on a model glass forming alloy reveal that the spatial distribution of relaxation kinetics (left panel) is not

Kinetics of dissolution of an amorphous solid (Douglass): The rate of dissolution of amorphous solids is an important aspect to the delivery a number of drugs. In this study we developed a simple model of the glassy solid that permitted efficient simulations while providing an accurate representation of the cooperative kinetics of relaxation. We RESEARCH PROFILES 11

ASSOCIATE PROFESSOR BRIAN HAWKETT

Our research focus aims to gain an understanding of the factors governing the formation and stabilisation of colloidal dispersions in order to solve the scientific problems that are of interest to our industry collaborators.

POLYMER AND COMPOSITE designed a steric stabilisation system of safer and more effective delivery COLLOIDS for nanoparticles in collaboration systems for agrochemicals. with Sirtex Medical Limited, and are Key functional additives in paint exploring their use in a wide range Ionic liquid ferrofluids (ILFFs) for technology (Neto, Nguyen, Zhu, Davey, of biomedical applications. Such space propulsion (King, de la Mora, Such): The application of controlled applications include stem cell tracking, Sabouri, Priyananda, Rozeleur, Jones): radical polymerisation allows a degree of treatment of ovarian and colon cancers. control over polymer and nanoparticle In this project, funded by AOARD and These particles offer many advantages architectures that was previously Sirtex Technology, in collaboration including easy functionalisation, and only dreamt of. From the controlled with the US Air Force, Brad King from are stable in biological media and within radical techniques currently available, Michigan Tech, and Juan de la Mora cells i.e. they do not aggregate. The reversible addition fragmentation from Yale, we are exploring the use of particles have been shown to penetrate chain transfer (RAFT) has proved to spheroid solid tumour models, and ILFFs (Figure 2) in the trajectory control be the most versatile. In this broad- facilitate the penetration of co- of mini satellites. based project, funded by DuluxGroup administered chemotherapy drugs. Australia and the ARC, we exploit this Figure 1: TiO particles encapsulated by polymer new capability to design and synthesise Polymer coated zero valent iron 2 polymer and composite nanoparticles particles (Pham, Nguyen, Huynh, with emphasis on applications in Rider, Charles): Funded by DSTG, this surface coatings. Our achievements in project extends our particle coating this project include coating individual technology to larger (micron sized) unaggregated pigment particles with and reactive particles. polymer (Figure 1) for improved pigment efficiency, reducing the amount of Controlling density, viscosity pigment required. Coating particles in and crystallisation in emulsion this way has been a “Holy Grail” in the explosives to enhance safety and coatings industry for many decades. efficiency of blasting operations 0.30 mm Pigment efficiency has been further (Warr, Priyananda, Fitzgerald, Djerdjev, improved by encapsulating individual Gore): In this collaboration, funded Figure 2: Spikes in EMIM NtF2-based ionic liquid ferrofluid pigment particles within hollow polymer by Dyno Nobel Asia Pacific and the particles, thus halving the amount ARC, we are gaining a fundamental of TiO2 needed to achieve a given understanding that will allow us to opacity. We have also developed a new control the density, viscosity, and approach to making Janus particles that crystallisation in explosive emulsions. is economical and enables large-scale production. Enhancing the efficacy and performance of agrochemical Polymer stabilisation of actives (Huynh, Nguyen, Christie, superparamagnetic nanoparticles for Lindsay): In this collaboration with biomedical applications (B. Pham, N. Syngenta Crop Protection, we are Pham, Kim, Sabouri, Raviraj, S. Rozeleur, using controlled radical polymerisation Tanudji, Jones): In this project, we have techniques to assist in the design 12 RESEARCH PROFILES

DR TOBY HUDSON

Predicting and understanding the structures and phase behaviour of liquids, crystals, and everything in between.

The screw-like nematic phase (Kolli): Helical particles are a key system to understand given the ubiquity of DNA. The phase behaviour of helical strands was presumed similar to that of most liquid crystals, which form in most systems of elongated particles. We recently showed that helices have an THEORETICAL MATERIALS additional chiral nematic liquid crystal Figure 2. A dense packing of an irregular particle with CHEMISTRY phase in between the regular nematic the rare p6 symmetry Structural search (Kolli, Tracey, phase (aligning) and the smectic phase O’Toole, Harrowell): Packing models (layering). Our simulations showed that are often employed to predict Amorphous relaxation (Douglass, the orientation of the secondary axis and rationalize the architecture of Chowdhury, Harrowell): In contrast to of the helices becomes periodically metamaterials, self-assembled from crystals, where relaxation and diffusion coupled with translation along its nanoparticles, or colloidal crystals. primary axis. We have now also shown mechanisms are dominated by the We have developed a systematic that this kind of coupling transition motion of discrete well-defined defects, search methodology to find ground occurs again in high density smectic amorphous materials often evolve state crystal structures for particle phases (Fig. 1). using collective and unpredictable assemblies, by enumerating subspaces mechanisms. These complex events Janus dumbbells (O’Toole): Spherical of the general search space. We cannot easily be directly probed, Janus (two-faced) particles have have identified a number of new because in glasses all we can usually optimal structures in systems of binary unusual collective behaviour, including get are averages and distributions. spheres, asymmetric dimers, helices, re-entrant behaviour when phase- and a general class of 2d shapes. separated gas-liquids can remix as Instead we use models of atomic Outcomes include: an explanation the temperature is reduced. We are interactions in network glasses, for the observed size ratio of silica investigating the effect of particle and glassy binary mixtures of soft spheres in a class of precious opals; a geometry on this behaviour, studying spheres. We study both crystallization simplified understanding of colloidal and Janus dumbbells. We have found phenomena and stress relaxation. atomic alloys which take the NaZn cases where the anomalous behaviour Stress relaxation is related to the 13 is pre-empted by the formation of structure type; and, the first predictions viscosity of a material, and therefore is lamellar structures. We are currently of thermodynamically accessible a key player in the transition from liquid investigating the trends as the compound colloidal crystals for binary to glassy behaviour (Fig. 3). spheres with large size ratios. asymmetry of the particle is varied. Packing efficiency(Jennings, Tracey): What is the relationship between the shape of a particle and its ability to pack densely? This question is still wide open, but work on 2-d shapes in our group has put forward the first phenomenological answer (Fig. 2). Measuring certain properties of a shape, we can accurately predict packing densities. We can start to explain the ubiquitous observation that when molecules crystallize, some crystal symmetries are disproportionately favoured. Why are Figure 1. Equations of state for helical particles, Figure 3. The force network and stress including the screw-like phase in red rotated particle pairs so common? correlations in an inherent state of a binary glass RESEARCH PROFILES 13

PROFESSOR KATRINA JOLLIFFE

Our research focuses on using and developing the tools of organic synthesis for the preparation of molecules with a particular function. Specific targets include molecules capable of recognizing and sensing other molecules and ions and, in some cases, transporting these across a lipid membrane.

ORGANIC SYNTHESIS AND ideal scaffolds for the construction of Prof Phil Gale we have shown that SUPRAMOLECULAR CHEMISTRY molecular anion receptors and we are some of these can transport sulfate Novel anion receptors and currently investigating the synthesis ions across a bilayer membrane. transporters (Dergham, Qin, Smith, and application of a range of such Efficient synthesis of natural and Tzioumis, Zwicker, Gale): The selective receptors. We have exploited the novel cyclic peptides (Falvey, Glen*): recognition and sensing of biologically preorganisation of the Lissoclinum Naturally occurring cyclic peptides important anions under physiological class of backbone rigidified cyclic conditions is of intense current interest peptides to prepare a number of anion exhibit a wide range of biological to both chemists and biologists. Anions receptors. These bear side chains with activities and are often more resistant 4- to enzymatic hydrolysis than their such as pyrophosphate (P2O7 , PPi) either hydrogen bonding or metal ion play important roles in bioenergetic and binding sites for anions and in some linear counterparts. Additionally, the metabolic processes and the ability cases show selective binding for restricted conformational flexibility of to selectively sense such anions has pyrophosphate ions in physiological cyclic peptides allows them to present applications in biomedicine. Similarly, media. Linear and cyclic peptide functional groups in a spatially well- the ability to sense and/or sequester derivatives and peptidomimetics that defined manner and is of use in the ions such as nitrate and sulfate in exhibit high selectivity for sulfate study and mimicry of protein folding. aqueous media has applications in ions in aqueous media have also been We are employing our previously environmental science. Peptides are developed and in collaboration with developed method for the efficient head-to-tail synthesis of small cyclic

The Jolliffe group peptides to the synthesis of cyclic peptides with potential as therapeutic agents in the area of cardiovascular disease and as antibiotics. New fluorophores for use in molecular imaging (Leslie, New): In collaboration with Dr Liz New we are developing novel fluorophores that can be incorporated into fluorescent probes for a range of analytes (anions, cations and small molecules). We have established that the fluorescence of naphthalimide derivatives can be modulated in a predictable way through the incorporation of additional substituents on the aromatic skeleton and have substantially increased the wavelength range at which these dyes are able to fluoresce. 14 RESEARCH PROFILES

ASSOCIATE PROFESSOR MEREDITH JORDAN

I use theoretical and computational chemistry to exam- ine the interactions within and between molecules in or- der to understand chemical reactivity and the relationship between structure and function in chemistry, biology and materials science.

INTERMOLECULAR INTERACTIONS property surfaces. Potential energy surfaces: Molecular Reaction dynamics (Kable, Andrews, potential energy surfaces (PES) Quinn, Lee, Clubb, Hobday, Osborn describe how the energy of a molecule (Sandia)): “Roaming” has been coined changes as its atoms move. We to describe a newly recognised class have developed new interpolation of reaction mechanism which bypasses techniques for constructing PES the conventional transition state to based on ab initio quantum chemical a reaction. We have shown roaming calculations.. These are contained in our freely available Grow computer package. Above: A schematic showing energies (kJ/mol) Hydrogen storage materials (Kolmann, and important structures on the CH3CDO S0 PES. The green arrows indicate the experimental D’Arcy): We have used Grow to develop yields at 320 nm under collision-free conditions. a reduced-dimensional model to At 1 atm we predict that excited acetaldehyde collisionally relaxes into both keto and enol forms mimic H2 adsorption in Lithium-doped as shown by the blue curvy arrows. metallo-organic framework materials such as MOF-5.

Quantum diffusion Monte Carlo may well explain the observed (QDMC) simulations have been used concentrations of organic acids in the to predict H2 binding enthalpies and atmosphere. vibrationally averaged (ground state) Computational drug design (Hunter structures. They demonstrate that the Above: (a) Potential Energy and Molecular Property (UNSW)): Fluorinated analogues of Surfaces: (b) |m |, (c) |Θ |, (d) |a |, and (e), H2 molecule is delocalised over the z zz zz |C |for ClH:NH g-aminobutyric acid (GABA) have been organic fragment. We are currently zz,zz 3 studied experimentally and modelled investigating how the quantum using quantum chemistry. These nature of such systems changes with mechanisms are ubiquitous, much molecules act at GABA receptors in temperature and number of adsorbed more widespread than initially thought. the central nervous system and are H molecules. 2 We have also investigated triple responsible for regulating neuronal Molecular property surfaces (Morris): fragmentation and photo-chemically- firing. Theoretical modelling has Our interpolation techniques have induced isomerization using both characterised the different conformers been used to describe molecular dipole theory and experiment. We have shown of these analogues, their NMR spectra moment and polarizability surfaces. that, under atmospheric conditions, and their isomerization pathways. We

These surfaces and the PES have then acetaldehyde, CH3CHO, can isomerise found that the enantiomers of syn-2,3- been used to calculate rovibrational to vinyl alcohol, CH2=CHOH, a difluoro-4-aminobutyric acid elicited intensities and demonstrate that the precursor to formation of organic acids opposite biological responses and we effects of an external electric field (a in the atmosphere. Notably we found were able to interpret this in terms of model for molecular environment) can at 1 atm pressure up to 26% of the our previously developed quantitative be accurately approximated using a acetaldehyde could undergo keto-enol structure activity relationship (QSAR) power series expansion and zero field isomerisation and this new mechanism for the GABAC receptor. RESEARCH PROFILES 15

DR IVAN KASSAL

Energy and charge transport underpin photosynthesis, solar cells, combustion, corrosion, batteries, and molecular electronics. We are developing cutting-edge theoretical tools—including the use of quantum computers—to better simulate these processes and design superior devices.

CHARGE AND ENERGY TRANSPORT found in a photosynthetic complex. on the topic. We have shown that Fundamental processes: The transfer We also identified two coherent quantum computers could solve of charges (or excitation energy) from mechanisms that could be used for chemical problems much faster one molecule to another—perhaps improving artificial light harvesting and, than conventional computers, and the simplest chemical reaction—is a with experimental colleagues, have have developed a complete suite fundamentally quantum-mechanical already demonstrated one of them— of quantum-computer software for process. However, because a fully the other is on the way. chemistry, for everything from reaction quantum treatment of charge Organic electronics: Organic dynamics to molecular properties. Today, transport in disordered materials can semiconductors can be made into chemistry is seen as a killer app for be computationally prohibitive, many organic light emitting diodes (OLEDs) quantum computers, with chemical models use purely classical concepts, for displays and lighting, organic applications targeted by all the major such as molecule-to-molecule charge photovoltaics (OPVs) that promise truly quantum computing companies. hopping. Classical simulations can green energy, and organic field-effect We have strong collaborations with fail dramatically, which is why we are transistors (OFETs) for general-purpose experimentalists, including the first working on new quantum theories flexible electronics. We are developing experimental chemical calculation on to treat charge and energy transport new theories to describe charge and a quantum computer, in 2010. We are without incurring an excessive energy motion in organic electronics, currently working on the first quantum- computational cost. For example, especially OPVs, so that rational design computer simulation of a chemical we recently developed a theory for can replace the current trial-and-error reaction, a charge-transfer process. the transfer of delocalised charges, approach. We recently explained why explaining how charges hop if they For details, visit www.kassal.group the electron and the hole are—as is often the case—smeared separate at all to form out over several molecules. an electric current: their Photosynthesis: Quantum coherence Coulomb attraction was Kassal Group 2017 is usually thought to be too fragile to previously thought to be persist in warm and noisy environments insurmountable, but we such as the light-harvesting units showed they can overcome of photosynthetic organisms. it using entropy and After the discovery of coherent disorder. signals in spectroscopic studies of photosynthesis, debate raged about whether coherence could enhance QUANTUM COMPUTER FOR CHEMISTRY the efficiency light harvesting. We have shown how quantum effects We have been at the observed in laser experiments translate forefront of applying to biological function in sunlight quantum computation and, in doing so, we discovered the to problems in chemistry most significant coherence-related ever since Ivan’s PhD, enhancement of energy transport ever which was the first 16 RESEARCH PROFILES

PROFESSOR MICHAEL KASSIOU

Our research focuses on the discovery, design and synthesis of bioactive CNS molecules. Understanding the interactions of these molecules with their biological targets as part of structure-activity relationships studies allows the rational design of more efficacious treatments for diseases of the brain.

DRUG DISCOVERY/MEDICINAL decades there has been increasing Chemistry and biology of nicotinic CHEMISTRY evidence of a strong relationship receptors (Beinat): Nicotinic Immunomodulation in the treatment between depression and immunological acetylcholine receptors (nAChRs) and diagnosis of CNS disease dysfunction in depressed patients. belong to the family of ligand-gated (Narlawar, Hanani, Chau): The Excessive secretion of cytokines, ion channels which are regulated recognition that microglial activation is such as interleukin-1b (IL-1b), and by acetylcholine, one of the major closely linked to the pathophysiology tumour necrosis factor-a (TNF-a) is excitatory transmitters in the nervous of brain disease has made the increasingly recognised as a potential system. The a7 nicotinic receptor cause of depression. The purinergic translator protein (TSPO) an important subtype is particularly important in therapeutic and diagnostic target. P2X receptor modulates the 7 the potential treatment schizophrenia. We have investigated the structure maturation and release of cytokines We have developed structure-activity activity profile of molecules based on such as IL-1b suggesting that the relationships strategies of the following pyrazolopyrimidines and determined P2X receptor could play a role in the 7 small molecules in order to understand parameters required for maintaining pathophysiology of depression and that the motifs responsible for conferring a7 high binding affinity based an existing blockade of the P2X7R might result in pharmacophore model. We have further antidepressant-like properties. activity. refined this model by investigating the To date, only a few classes of drug-like Chemistry of sigma receptors effects on nitrogen substitution within molecules are known to interact with (Banister, Manohar, Manoli): Ligands the heterocyclic scaffold. Although this which bind with high affinity at the P2X7R. We have developed a is not considered in the pharmacophore library of small polycyclic scaffolds with sigma receptors have been shown to model it has great impact on binding varying polycyclic hydrocarbon and modulate and interfere with several affinity of these molecules. aromatic segments, which are currently neurotransmitters and have potent Purinergic P2X7 receptor in the subject of pharmacological studies activities in animal models suggestive depression (Wilkinson, Law, Jackson, in order to evaluate their antidepressant of antipsychotic, cognitive enhancing, Barron, Werry): Over the last two potential. neuroprotective, and antidepressant activities. We have recently reported

(Three-dimensional structure of TSPO by electron cryomicroscophy of helical crystals) the synthesis and binding a novel series of trishomocubanes of the type 4-azahexacyclo[5.4.1.02,6.03,10.0 5,9.08,11] dodecane which display high affinity for sigma-2 and sigma-1 receptor subtypes respectively. These molecules have also been shown to modulate cocaine induced behaviours. These lead compounds provide the basis for further refinement of the binding and functional activity of this class. RESEARCH PROFILES 17

PROFESSOR BRENDAN KENNEDY Understanding how the structures of metal oxides change in response to stimuli is often the key in establishing structure-property relationships in functional materials. We use crystallography to study the impact of chemical substitutions on structural phase transitions and then correlate this with changes in the magnetic and electronic properties of the material.

SOLID STATE AND MATERIALS conditions an oxygen deficient Structural trends in ABO4 scheelite CHEMISTRY rhombohedral structure a-SrUO4-x type oxides (B = Tc, Re, Ru, Os) Defects and phase transitions forms in which oxygen vacancies Re is often studied as a non-radioactive are critical to the stability of the The perovskite NaTaO shows analogue to Tc, given their similar 3 8-coordinate UO moieties. Treating promise as a photocatalyst for 8 range of oxidation states and ionic radii a-SrUO with H at high temperatures splitting water into H and O . Cation 4-x 2 resulting in similar chemical behaviour. 2 2 induces a reversible phase doping is a powerful way to tune the Evidence is emerging that this may not transformation associated with the band gap in perovskites and hence be the case for solid state materials. The ordering of oxygen defects resulting in enhance the photocatalytic response, AReO oxides were studied in order to a lowering of crystallographic symmetry 4 consequently efforts are being directed allow for comparison with the analogous to give a triclinic polymorph, d-SrUO . to understanding the correlation 4-x pertechnetates. As the size of the A A strong reducing atmosphere is between the changes in the structure site cation (Na, K, Rb, Cs, Tl, Ag, NH ) required to generate a critical amount 4 and photocatalytic properties upon increases the symmetry decreases from of oxygen defects in a-SrUO to doping. The flexibility of the perovskite 4-x tetragonal to orthorhombic and this can enable the transformation to d-SrUO structure allows for local defects whilst 4-x reversed by heating the samples, the but once formed the transformation maintaining long range cooperative exception being TlReO that exhibits between these two phases can be 4 tilting of the corner sharing octahedra. an unusual reentrant phase transition induced by thermal cycling. Entropy High resolution synchrotron X-ray and involving a monoclinic structure. The changes associated with the neutron powder diffraction studies ammonium salts NH4BO (B = Tc, temperature dependent short-range 4 are being used to establish the role Re) exhibit unusual thermal expansion ordering of the reduced U species of defects on the phase evolution behaviour associated with hydrogen important in this transformation. and these studies will be used to bonding. This work is being extended to include the magentic Ru and Os systems. guide optimisation of NaTaO3 based photocatalysts. Partial replacement of the O in SrTaO3 with N to form SrTaO2N is another way of tuning the band-gap. We have identified that such doping disrupts the cooperative tilting of the

TaX 6 octahedra leading to the formation of novel structures. Structural transformations in uranium oxides In-situ Synchrotron X-ray and Neutron Diffraction methods have been used to study the unusual phase transition behaviour of SrUO4. At high temperatures and under oxidizing conditions the stable form, stoichiometric b-SrUO4, contains

UO6 groups. Under mildly reducing → 18 RESEARCH PROFILES

PROFESSOR CAMERON KEPERT

Our research focuses on the incorporation of multiple chemical and physical functions into molecular frameworks to yield materials with new, emergent properties.

MOLECULAR FRAMEWORK shrink upon warming (negative thermal tensive family of materials of this type, MATERIALS expansion; NTE) or that are tempera- allowing fine-tuning of guest-exchange ture invariant (zero thermal expansion; Nanoporous molecular frameworks (pore size and shape) and switching ZTE) are of considerable fundamental (Southon, Ragon, Keene, Duyker, (transition temperature) properties. Of interest due to their rarity and have Chen, Murphy, Barkhordarian, Ogilvie, particular note is the recent generation diverse potential applications in ther- Zenere, Windsor, Peterson, McKenzie, of an array of Hofmann-type systems, mal compensation. We have recently D’Alessandro): A range of new frame- which display highly novel guest sorp- uncovered two very broad families of work materials that display reversible tion properties and hysteretic spin- such materials: metal-cyanide frame- guest sorption is being investigated. crossover. works and metal-organic frameworks. Characterisation of the dynamic For the cyanide phases, we attribute Electron localisation/delocalisation host-guest structures of these phases the unprecedented NTE to two differ- (Faust, Rizzuto, Walwyn, Doheny, using a broad suite of techniques, ent modes of transverse motion of the Keene, Kanga, Murphy, Kurmoo, which include the in-situ measurement linear cyanide bridge. For the metal- D’Alessandro): In this project we are of single crystal and powder X-ray/ organic framework systems, both soft exploiting the versatility of molecular neutron diffraction data during guest transverse phonons and, uniquely, local chemistry to incorporate a range sorption in combination with gas/ molecular vibrations are responsible for of interesting electronic, magnetic vapour sorption measurement, is lead- the anomalous expansion properties. and photochemical/photophysical ing to highly detailed structural and phenomena into nanoporous materi- Switching nanoporous materials physical understandings of the novel als. Of principal interest are magnetic (Ragon, Clements, Zenere, Windsor, host-guest chemistry of these phases. ordering, electron delocalisation and Diwa, Mullaney, Sciortino, Kirk, Klein, Of particular interest is the selective photoactivation, with the goal being to adsorption and storage of a range of Price, Goux-Capes, Grünwald, Doheny, Hill, Southon, Halder, Murray, Mou- create materials in which coupling with technologically and environmentally reversible host-guest function leads to important gases, which include H , CH , baraki, Létard, Brooker, Neville): Our 2 4 entirely new materials properties. This CO and O . Our demonstration that incorporation of molecular electronic 2 2 switches into nanoporous frameworks work is opening new routes to explore bare metal sites provide optimal bind- and discrete complexes is leading to the influence of structural perturbation ing sites for volatile guests has paved materials and molecules that have on electronic/magnetic/photophysical the way to hybrid materials that are unique physicochemical properties properties and promises to underpin a able to discriminate between such spe- and potential applications in molecular range of future high-level applications, cies highly selectively and store them sensing and data storage. Through the spanning molecular sensing, molecular under non-extreme conditions. Materi- systematic variation of the ligands and electronics, batteries, selective elec- als under investigation span a range counter-ions we have developed an ex- trodes and energy conversion. of metal-organic framework materials through to sophisticated biomimetic The Kepert group systems capable of chemisorptive guest binding. Thermal expansion (Duyker, Wu, Chen, Cameron, Chadbourne, Ogilvie, Kanga, Murphy, Phillips, Lock, Halder, Yuan, Chapman, Goodwin, Bridgeman, Peterson, Kearley): Materials that RESEARCH PROFILES 19

DR GIRISH LAKHWANI

Our research in the School of Chemistry underpins various re- search projects within the ARC Centre of Excellence in Exciton Science and beyond. The board area of our research overlaps the fields of physical chemistry, chemical physics and organic electronics. Our key focus is on developing spectroscopic methods to study optical and electronic properties of novel nanoscale semiconductor materials for solar energy harvesting, polarisation switching and polariton lasing.

Fluorescence blinking in quantum dots Polarisation sensitive fluorescence and photophysical properties, crucial (collaboration with Dr Akshay Rao, Uni- decay (collaboration with A/Prof Tak for the performance of a wide range of versity of Cambridge): The realisation of Kee, University of Adelaide, Dr Stavros organic electronic devices. any opto-electronic thin film devices or Athanasopoulos, University of Madrid Chiroptical phenomena in self-assem- technologies requires control over exci- and Dr Markus Müllner, USyd): Struc- bled perylene nanofibres(collaboration tons at a nanoscale. In our group, we use tural disorder in molecular assemblies with Prof Pall Thordarson, UNSW and Dr single molecule spectroscopy to study has a huge impact on the function of a Markus Müllner, USyd): The performance photophysical processes at a single mol- wide variety of organic optoelectronic of organic optoelectronic devices is heav- ecule level, which are otherwise obscured devices. Here, we use transient absor- ily dependent on the molecular packing by conventional measurements that bance spectroscopy to demonstrate that and nanoscale morphology of molecular ensemble average optical properties of a fluorescence in donor-acceptor based aggregates. In this work, we used heterogeneous distribution of molecules. copolymer aggregates follows different Circular Dichroism (CD) and Magnetic Here we report stochastic fluorescence decay pathways when photoexcited by Circular Dichroism (MCD) spectroscopy blinking in near infrared emitting (NIR) left and right handed circularly polarised to study chiral perylenes both as isolated molecules and self-assembled helical emitting of individual PbS core and PbS/ light (CPL). nanofibres. By altering the size and helic- CdS core shell quantum dots (Fig. 1). ity of the supramolecular nanostructures, Fluorescence blinking is a reversible pro- we confirmed that while CD is sensitive cess that causes fluorescence to appear to exciton coupling and long-range (on) and disappear (off) intermittently, at order, the MCD (also referred as Faraday timescales of a few ms to seconds. We Rotation) is a unique molecular property. observe that PbS dots display longer off The observed MCD is B-type, which is times compared to PbS/CdS core shell characteristically found in low symmetry dots. We conclude that longer off times systems. We find that the insensitivity are a result of Auger recombination and of MCD to exciton coupling makes it a reversible exciton diffusion between Fig 2. Fluorescence decay monitored at 530 nm for unique probe to study molecular pho- PFBT copolymer fibres (inset) for left and right CPL singlet energy levels and a large density excitations at lex = 440 nm. tophysics decoupled from system-bath of dark surface defect states. The distri- interactions (such as interactions with Comparing the two cases, we notice that bution of defect states in core shell dots the solvent or a solid-state matrix) in virtually 20% of fluorescence intensity is is relatively narrow, hence the on and off complex supramolecular architectures. lost within 5 picoseconds when excited times are of similar time scales. with left and right circularly polarized light severely limiting the utility of these PbS/CdS PbS ON materials as ultrafast polarization switch- es. We demonstrate that the CPL sensi- tive rate of fluorescence decay emerges due to localization of photoexcitations OFF at the disordered edges of polymer aggregates. Our findings open up new Time (seconds) opportunities for sensitively exploring the Fig 1. Single molecule fluorescence blinking from (left) Fig 3. CD and MCD as a function of size of a PbS/CdS core-shell and (b) PbS quantum dots. links between intermolecular coupling helical supramolecular perylene aggregates. 20 RESEARCH PROFILES

DR YU HENG LAU

We combine chemical and biological synthetic methods, re-engineering macromolecules found in nature to create new medicines, materials and catalysts. Our research involves a mix of organic chemistry, synthetic biology and protein engineering.

CHEMICAL AND SYNTHETIC and determining what effect the The Bio-Incubator Hub: In BIOLOGY encapsulation process has on activity, collaboration with the group of chemical stability, and longevity of the Dr Shelley Wickham, we have Nature is full of remarkable nanoscale enzymes. established a shared hub for protein machines that can walk, talk, biomolecular research within the bind and self-assemble. As synthetic Stapled peptide anti-cancer School of Chemistry. Technical chemists, we have the opportunity to therapeutics: Stapled peptides are capabilities we have established borrow from nature’s vast catalogue promising inhibitors of protein-protein include lab-scale bacterial culture, DNA of proteins, and modify their properties interactions that are the drivers of manipulation and analysis, and protein to create macromolecules that can many cancers. The stapling process production and purification. This facility perform completely new and useful involves the cyclisation of two is available for all in the School to functions. unnatural amino acid side chains, imparting conformational rigidity which use, and should reduce the barriers to can improve proteolytic stability and interdisciplinary research activities in Encapsulin compartments as cellular uptake. Our chemical the bio-nano research space. nanoreactors (in collaboration with Dr approach to stapling Tobias Giessen from Harvard University involves using a double-click and A/Prof Stephen Bell from the reaction, using a dialkynyl University of Adelaide): Encapsulins linker to bridge two azido are recently discovered bacterial amino acids. proteins that spontaneously assemble into hollow 20-45 nm shells (see Nat. Recent targets have Microbiol. 2017, 2, 17029). A unique included the tankyrase feature of encapsulins is their ability to substrate recognition domain (J. Am. Chem. Soc. house other molecules, in a targeted 2017, 139, 2245-2256) and binding process that is mediated by Left: Encapsulin nanocompartments can be used to assemble the Ctf4 hub of eukaryotic nanoreactors with unique properties. Right: Transmission electron a simple peptide tag. We have been replication (Angew. microscopy image of highly-monodisperse encapsulin compartments. creating nano-sized reaction vessels Chem. Int. Ed. 2017, by functionalising the interior of these 56, 12866-12872). shells with synthetic molecules that Ongoing work in the bear this peptide tag. group includes the An example of our recent encapsulin detailed investigation work is featured in our publication on of the cellular uptake creating synthetic organelles inside and localisation living cells (Nat. Commun. 2018, 9, of peptides into 1131). We show that encapsulins can mammalian cells, and be used to stabilise and co-localise exploring alternative proteins within their interiors, and can biosynthetic also support enzymatic catalysis. We strategies to are now working on encapsulating generate high- biological catalysts of industrial throughput libraries The groups of Dr Yu Heng Lau and Dr Shelley Wickham, who jointly run the new relevance, such as p450 enzymes, of stapled peptides. Bio-Incubator hub in the School of Chemistry. RESEARCH PROFILES 21

PROFESSOR PETER LAY, FAA

Our research is focused on biomedicine: understanding the mode of action of anticancer and anti-diabetes drugs; biospectroscopic studies on disease processes (including extracellular vesicles); disease diagnostics; and in vitro drug efficacy.

BIOINORGANIC CHEMISTRY methodologies as those described unlikely to mediate the uptake of these Anti-diabetic effects of chromium and for anti-diabetic drugs to study their anti-cancer metal ions. vanadium (Carter, Crans,* Kaur, Lai,* biotransformations in biological fluids Molecular assays in disease diagnosis, Lee, Levina, Mak, Safitri, Swarbrick, and cells. Ru anti-cancer drugs undergo pathogenesis and physiology in Tobin,* Vogt,* Young): Speciation of substantial aquation, hydrolysis and cells and tissues (Al-Juaifari, Arora,* Cr and V antidiabetic complexes in oligomerisation processes under Austin,* Bader,* Carter, Chen,* Duong, biological fluids, cells, and tissues has physiological conditions and bind Grau*, Hosseini-Beheshti, Hunt,* Lai,* continued. Vibrational spectroscopic to various proteins and cells. The Lee, Levina, Lin, New, Pamphlett,* microbe techniques and capillary differences in reactivities of different Paterson,* Plush,* Vogt,* Zou): immunoassays (BLItz) assays have drugs were explained by the kinetics Vibrational spectroscopic diagnostics been used to provide further evidence of ligand-exchange reactions with for various diseases and conditions: that Cr(VI), Cr(V), Mo(VI), V(V), respect to whether the drugs react including cerebral malaria; bacterial and W(VI) inhibit phosphatase enzymes primarily against extracellular molecules viral meningitis and multiple sclerosis within target adipocytes (fat cells), and cell membranes (anti-metastatic were investigated. Strong correlations muscle cells and liver cells, which is effects) or within the cell (cytotoxicity were observed between these new probably a major cause of their anti- against primary tumours). A range of diagnostics and standard pathology diabetic activities. Extensive studies assays on adducts of Ru drugs with diagnostics and, in some cases, the on intracellular sugar metabolism and serum albumin have shown that these vibrational spectroscopic techniques the effects of these metals on the adducts are highly anti-metastatic. had the potential to enable disease metabolism have been conducted with Extensive studies have been diagnosis prior to any clinical effects. Seahorse technology on bulk cells and undertaken with cancer microparticles vibrational spectroscopy on single cells. (microvesicles) released by cancer Vibrational spectroscopic imaging The BLltztechnique has also been used cells, which are important in drug was used with synchrotron X-ray to test how metal binding changes the resistance and cancer progression and micro-probe techniques, to understand transferrin (Tf)/ transferrin receptor metastases. These have revealed a the disease biochemistry of some (Tfr) and insulin/insulin receptor heterogeneous population, which may of multiple sclerosis and the role of interactions. Surprisingly, binding have different roles in the disease. We microvesicles derived from monocytes of metals to Tf inhibits rather than are also investigating their potential to on a variety of diseases.Methods increases metal uptake, which shows target cancer cells.Differences in the have been developed for using Raman that other transport mechanisms are biotransformations of Ga pro-drugs spectroscopy to obtain the history of important. are important in understanding their medical and psychological effects from efficacies and safety. Excitingly, some datelines in deciduous teeth. Ga, Rh, Ru and V anti-cancer drugs such drugs have exhibited irreversible (Andreichenko, Andrews,* Bader,* differentiation of metastatic cells Carter, Chen,* Chetcuti, de Jonge,* to non-agressive phenotypes. The Kalnina, Kuramarohit, Levina, Liang, speciation of different Ga prodrugs Mak, Paterson,* Pei, Pham, Plush,* in blood, gastric juices and cells was Rathje, Stewart, Swarbrick, Vogt,* examined using X-ray absorption Wood, Yaourtis, Zhang ): Research spectroscopy. The BLltz technique was conducted on Ga, Rh, Ru and to examine modifications of Tf/Tfr V anti-cancer drugs using similar interactions, which showed that Tf is 22 RESEARCH PROFILES

PROFESSOR CHRIS LING

The most important underlying principle in materials chemistry is that of “structure-property relations” – the idea that we can relate the crystal structure of a material to its chemical composition on the one hand, and to its physical properties on the other.

MATERIALS CHEMISTRY; NEUTRON with higher-valent transition metals to Giant magnetoelastic effect in d5 & X-RAY SCATTERING SCIENCE create wide solid-solutions fields with oxides A detailed understanding of structure exceedingly rare and complex (3+3)-di- Negative thermal expansion (NTE), provides a link through which we mensional incommensurately modulated where the volume of a material expands can use chemistry to manipulate and “hypercubic” structures. These materi- anomalously on cooling, can arise through optimise the properties of functional als remain poorly understood because a range of mechanisms. Some are essen- materials. no such structure has ever been tially mechanical, based on the thermal quantitatively solved and refined, due The goal of our research is to discover, motion of coupled rigid units (e.g., to both the complexity of the problem ZrW O ), while others involve a redistri- characterise and optimise functional 2 8 and a lack of adequate experimental solid-state materials. Structure plays a bution of electron density, often associ- data. We have addressed this by grow- central role, and we make particularly ated with changes in magnetic properties ing a large (cm-scale) crystal using a heavy use of neutron, synchrotron (e.g., the Ni-Fe alloy known as Invar). novel refluxing floating-zone method, The compound Ba BiIr O is an entirely X-ray and electron diffraction as well 3 2 9 collecting high-quality single-crystal as complementary techniques such as novel case of the latter, magnetoelastic, neutron diffraction data, and treating spectroscopy and electron microscopy. case. Its structure contains face-sharing its structure within the superspace Ir O bi-octahedra with direct bonds Structural information is used to guide 2 9 symmetry formalism. The structure 4+ exploratory synthetic studies and to in- between Ir cations. On cooling through can now be understood as an “inflated” terpret the results of physical property T* = 74 K, the length of this Ir–Ir bond pyrochlore, in which corner-connected measurements. suddenly increases by 4%, producing a NbO6 octahedral chains move smoothly giant 1.0% volume NTE, accompanied by Solid-state ionic conduction in large apart to accommodate the solid solu- a sharp drop in magnetic susceptibility. single crystals tion. While some oxide vacancies are The transition appears to be driven by The high-temperature cubic form of ordered into these chains, the rest are a dramatic change in the interactions distributed throughout a continuous bismuth oxide, d-Bi2O3, is the best among Ir 5d orbitals, at the crossover intermediate-temperature oxide-ionic three-dimensional network of wide d- between two competing ground states: conductor known. The most elegant Bi2O3-like channels, explaining the high one that optimises direct Ir–Ir bonding way of stabilizing d-Bi2O3 to room oxide-ionic conductivity compared to (at high temperature); and one that op- temperature, while preserving a large commensurately modulated phases in timises Ir–O–Ir magnetic superexchange part of its conductivity, is by doping the same pseudo-binary system. (at low temperature). RESEARCH PROFILES 23

PROFESSOR THOMAS MASCHMEYER FAA FTSE

The world is standing at the technological threshold of a revolution that is driven by the need for truly sustainable (industrial) processes, both in the production of chemicals as well as in the generation of power.

ADVANCED CATALYSIS FOR resins and adhesives. Additionally, our of rapidly improving, solar energy SUSTAINABILITY collaborative work with Ca’ Foscari technology and to serve as a buffer for Sustainable chemistry and processes: University (Venice) has resulted in new the grid, enabling an ever-greater share At current rates of resource usage, molybdenum-based catalysts for the of renewables to be connected, while a world population operating with conversion of pulp and paper waste grid stability is maintained. Australian standards of living would (Kraft lignin) to renewable aromatic require between 4-6 planets. Clearly, chemicals: the starting point for many Photocatalysis - Hydrogen from this is untenable and, from a chemical important chemical products. water: Although this reaction has been proven to work – it is still as viewpoint, the inherent challenges can With Professor Avelino Corma from long way from being effective enough only be met by devising strategies for the University of Valencia’s ITQ we increased use of renewable resources, have shown how biocrudes can be to be useful. Here, we aim engineer waste reduction, energy optimisation successfully upgraded in conventional the band-gap of self-assembled and process intensification as refineries with conventional catalysts. nanostructures to provide better outlined in the 12 principles of “Green catalysts for this reaction. Our New batteries with novel electrode/ Chemistry”. focus lies on two types of material. electrolyte systems: Australia has Our group aims to tackle these substantial wind and solar resource Graphitic carbon nitride has special issues and enhance sustainability by capabilities, however they are being semi-conductor properties and can generating and using new fundamental harnessed on only a small scale. be used for a variety of catalytic insights on the molecular and Efficient energy storage is a missing reactions including carbon dioxide nanoscopic level to develop feasible link for renewable energy. Zinc- activation as artificial photosynthesis leads for the design of new catalytic bromine batteries have great potential and water splitting. We have now chemical routes and processes. as energy storage devices – and a begun to use X-ray spectroscopy to Renewable chemicals and fuels: The spin-out from our laboratory (Gelion characterize doped carbon nitride over-arching theme in this area is the Technologies Pty Ltd, www.gelion. which have provided enhanced activity transformation of “waste” biomass com) seeks to commercialise this for these reactions, including X-ray chemistry with a non-flow approach. into high specification fuels and photoelectron spectroscopy and X-ray We are using ionic liquid gels to platform chemicals. In conjunction absorption fine structure spectroscopy. access a range of attractive battery with Professor Rocky de Nys (James Dispersed, TiO -stabilised exotic chemistries - pursuing both academic 2 Cook University) and Professor Moti multicomponent nanoparticles Herskowitz (Ben Gurion University) we and commercial research. and coupling these to reducing have shown that green macroalgae can Indeed, tailoring the properties of ‘sacrificial’ solutions that enhance be grown to remediate waste water nanostructured Ionic liquid gels is our the thermodynamics of the system. and then converted to a drop-in diesel key approach for the design of novel Such solutions can be readily found or jet fuel blend. In conjunction with battery systems. Furthermore, we are Licella Pty Ltd (www.licella.com), which working towards the integration of in the environment where they often we co-founded, we have developed improved battery storage systems with present problems. Our approach yields novel catalytic hydrothermal processes the built environment. Imagine your hydrogen from water using sunlight to upgrade of waste pine wood to, house, car and office with batteries and as a ‘spin-off’ improves the water among other things, phenolic rich inherently included as part of their quality by oxidising smelly and toxic biocrude: capable of use in renewable structure, ready to take advantage species such as sulfides. 24 RESEARCH PROFILES

ASSOCIATE PROFESSOR TONY MASTERS

If we are unable to hand to our children, and to their children, the means to at least as good a lifestyle as that we now enjoy, we have failed miserably as a civilisation. This challenge becomes more acute as we approach the resource and energy limits of our planet.

ORGANOMETALLIC CHEMISTRY oxidant is chlorine or organic peroxides. Mechanistic understanding of ho- AND CATALYSIS We have developed novel hydrocarbon mogeneous catalysis: Understanding To even approach a “sustainable” exis- oxidation catalysts, capable of delivering key reactions involved in homogeneous tence, such that the ecosphere exists significant gains in resource efficiency. catalysis is hugely important to maximise their potential. In order to in a “steady state” able to support our Highly efficient catalysts for deep gain this information, it is important current lifestyle, a 4 to 10-fold increase hydrogenation: Deep hydrogenation of to probe reaction steps in situ and in the resource efficiency of existing aromatic substrates under mild condi- develop experimental methods to production processes will be necessary. tions is a technically demanding, but In the longer term, this will involve understand the nature of a catalyst in most important problem impacting on the development of a suite of novel its real environment. This information two sustainability issues – the quests industrial chemical transformations, will help develop much more stable and for greener fuels and for hydrogen stor- such as those envisaged in the biorefin- efficient catalysts, also look toward age materials. Emerging environmental ery. However, in the short term, small using more abundant elements such as legislation requiring the removal of absolute improvements to large scale nickel and iron, in replacement of much aromatics from gasoline can be met by existing processes can have maximum rarer metals. Recently we have used a arene hydrogenation. Liquid organic impact. Our research embraces both variety of in situ methods to discover hydrogen storage materials compat- approaches, involving for example, key underlying principles of an impor- ible with existing infrastructure are fundamental studies of workhorse reac- tant nickel homogeneous catalysts for attractive and require hydrogenation/ tions, such as catalytic hydrogenations, alkene isomerisation. This has given us dehydrogenation catalysts which can as well as the development of improved a unique insight into its mode of action, operate under mild conditions. We have catalysts for existing process, such helping move towards the replacement as hydrocarbon oxidations. In applied developed a sulfur-resistant multimetal- of platinum and palladium catalysts for studies, we collaborate with local indus- lic catalyst able to hydrogenate toluene cheaper, more abundant nickel-based try to develop an Australian manufac- under near ambient conditions in water. compounds. turing capability for novel “ionic liquid” Catalysts for the hydrogen evolution Photochemical conversion of CO2 solvents. Representative projects are reaction: The hydrogen evolution reac- (with Prof Smith UNSW): We will described below. tion (HER, H+ + e- ↔ ½H2) is one of prepare improved catalysts for the the main routes for the production of Hydrocarbon oxidation catalysts: One photochemical conversion of CO2 to of the most fundamental industrial molecular hydrogen. This electrochemi- chemicals and fuels, using only sunlight petroleum-based operations is the cata- cal process can be made environmen- and earth abundant materials to power lytic selective oxidation of hydrocarbons tally sustainable by combining the and catalyse the reaction. This target to produce materials such as epoxides, reaction with a source of renewable reaction will lead to useable chemicals ketones, aldehydes, alcohols, acids, and electricity. Presently, the most efficient and promote a circular economy (e.g., catalysts for the HER are noble met- derivatives of these molecules. These promoting HCO2H formation as a hydro- account for some 25% of industry’s als such as platinum. However the gen carrier as we have described previ- monomer and chemical intermediate reserves of these metals are insufficient ously. We will achieve this aim through a production, annually generating in ex- to meet projected needs, so it is impor- combination of computational-chemis- cess of $B50 of business roughly equal- tant to find alternative electrocatalytic try-led catalyst design and Fermi energy ly across America, Europe and Asia. As materials that are highly active, yet control, advanced reactor design and a consequence, oxidation catalysts rank inexpensive and abundant. We have materials synthesis, as well as the fine- second only to polymerization catalysts developed several solid and molecular tuning of the reaction media to increase in industrial usage. In many cases, the HER electrocatalysts. the reaction rate. RESEARCH PROFILES 25

ASSOCIATE PROFESSOR CHRISTOPHER MCERLEAN

Advances in all aspects of chemistry are reliant on our ability to build new molecular entities in a timely, efficient, economically sustainable and environmentally benign manner. Our research group is addressing this challenge by investigating new reactions and applying known reactions in novel settings to access molecules that display biological promise.

SYNTHETIC ORGANIC CHEMISTRY water to catalyse trans-formations the key bond-forming process for the synthesis of important plant signalling On-water chemistry (Phippen, such as the aromatic aza-Claisen molecules. Working closely with Norcott, Beare, Graham): Water rearrangement [Org. Biomol. Chem. researchers in Japan and Israel, we are is the most abundant liquid on our (2013) 11, 2452–2459]. And finally, we designing and building molecules that planet – we are surrounded by it. have married the sustainable nature affect how plants grow, how seeds Yet when it comes to reactions, of water-based methods with the germinate and how plants interact with chemists traditionally use toxic, burgeoning potential of ionic-liquids to fungi in their local environment. flammable and expensive fossil-fuel allow two insoluble materials to react based solvents. We are working to under mild conditions [Chem. Commun. We are also increasing the usefulness change that. Environmental and safety (2013), 49, 8347–8349]. of the Stetter reaction by inventing considerations have led us to consider Extending the scope of the Stetter new modes of reactivity. We recently water as the ultimate solvent in which reaction (Law, Bromhead, Daridis): reported the vinylogous Stetter to perform chemical reactions. Despite Building molecules means forging reaction, a process which builds up the fact that most organic compounds new carbon-carbon bonds. The molecular complexity in a single, enantio-selective operation [Chem. - are insoluble in water, some organic Stetter reaction is an organocatalytic Eur. J. (2013) 19, 15852–15855]. This reactions are actually faster when umpolung process in which aldehydes new process will make the synthesis of performed “on water”. We have (which are normally electrophilic) some imposing molecular architectures recently uncovered the explanation become nucleophilic and add to much more straight-forward. for this unusual phenomenon and alkenes. The Stetter reaction can have employed “on water” catalysis form multiple stereogenic centres in Synthesis of bromine-containing to facilitate the total synthesis of an enantioselective fashion, but it natural products (Recsei): There are complex natural products and drug-like is seldom used in synthesis. We are some reactions that occur in nature molecules [Tetrahedron Lett. (2013) trying to change that mindset. We that we simply cannot perform in the 54, 1056–1058]. We have even used are employing the Stetter reaction as laboratory. The brominative cyclization of terpenes is an important example. The McErlean group Even though this reaction produces compounds with vast agrochemical potential, we can’t do it in a flask… until now. Over the past few years the group has spent time developing a new class of binol-derived catalysts that allow the diastereoselective cyclization of simple starting materials to give a range of important compounds. For the first time, this new process gives ready access to the snyderane class of bromine-containing natural products. We have recently used this new process to complete the inaugural synthesis of (+)-luzofuran. 26 RESEARCH PROFILES

DR MARKUS MUELLNER

Our research uses controlled polymerisation techniques to construct polymer architectures and polymer assemblies to address key questions in a range of priority areas. A focus of our research is centred around molecular brushes and shape-anisotropic nanomaterials which is feeding into three key research interests: self-assembly, cellular interactions and hybrid materials.

FUNCTIONAL POLYMER efficiencies to much smaller, NANOPARTICLES spherical systems (Müllner Molecular polymer brushes in et al. Chem Comm 2016, 52, nanomedicine. The shape-persistent 9121-9124 in collaboration nature and cylindrical conformation with the Monash Institute of of molecular polymer brushes (MPBs) Pharmaceutical Sciences). present opportunities to explore the The modular synthesis of properties of anisotropic (i.e. non- MPBs further offers ample Polymer Nanostructures Group 2017 spherical) nanomaterials in biological avenues to synthesise rod- settings (Müllner et al. Macromol shaped polymer particles for Chem Phys 2016, 207, 2209-2222 and pH-responsive doxorubicin yielding highly functional therapeutics. Polymer 2016, 98, 389-401). MPBs delivery to breast cancer cells (Pelras The nanoparticles were designed to allow their shape and rigidity to be et al. Polymer 2017, 112, 244-251). disassemble into free native peptides altered, which in turn can be used Current studies focus on enhancing the via the traceless cleavage of disulfide- to influence thein vivo circulation tissue penetration of such drug delivery based cross-linkers. The cytotoxicity behaviour of brush polymer particles. carriers, looking at particle charge, of the nanoparticles can be tuned by Increasing the aspect ratio or altering stiffness, and hydrophobicity. controlling the kinetics of disulfide bond the rigidity led to reduced exposure, cleavage, and the rate of regeneration higher clearance rates, and increased Proapoptotic peptide nanoparticles. of the native peptide from the precursor mononuclear phagocytic system organ In collaborative work with the species. Small molecule drug can be deposition (Müllner et al. ACS Nano Nanostructured Interfaces and loaded into the nanoparticles to confer 2015, 9, 1294-1304). MPBs with lengths Materials Science group at the of up to 1 µm can passively target University of Melbourne, we developed synergistic cytotoxic activity, further tumour xenografts via the enhanced a method to produce nanoparticles highlighting the potential application of permeation and retention (EPR) effect directly from functional peptides. Our KLAK particles in therapeutic delivery and extravasate into tumour tissue. versatile and robust approach produces (Suma et al. J. Am. Chem. Soc. 2017, Large CPBs with higher aspect ratios proapoptotic peptide nanoparticles from 139, 4009-4018). accumulated in tumours, with similar mitochondria-disrupting KLAK peptides Structured semiconductors for battery electrodes. Many properties of functional materials depend critically on their effective surface areas. We used a newly developed polymer-hybrid method to fabricate porous structured titania nanomaterials with high surface areas and efficient internal topologies. Our materials have shown performance enhancement as electrode materials in solid-state batteries – outperforming electrodes built from commercial titania components (in collaboration with Professor Chris Ling). RESEARCH PROFILES 27

ASSOCIATE PROFESSOR CHIARA NETO

Our research focuses on investigating the properties of solid/liquid interfaces on the nanoscale, with the aim to design new functional materials. We investigate fundamental physico-chemical mechanisms that have the potential to lead to new technological applications.

NANO INTERFACES spontaneous wrinkling of a rigid Teflon New polymer patterns for film (which mimic the surface of the atmospheric water capture (Al-Khayat, pitcher plant as shown in figure 2) Chou): We have established the were fabricated and their functional optimal size and density distribution properties investigated. The produced of polymer surface patterns for the wrinkled surfaces were shown to collection of water from humid air. dramatically inhibit the attachment Dense, nanoscale hydrophilic bumps of marine fouling bacteria, prevent are not as efficient as more sparse fouling by oils, and have promise to Copper tubes micrometric bumps at collecting water. significantly reduce interfacial drag On the micrometric patterns the ideal of liquids. Their robustness compares conditions for water capture can be well with commerical coatings used achieved with no energy input. We currently for different advanced have applied our patterns onto three- applications. dimensional substrates (shown copper Polymeric Janus nanoparticles tubes) and quantified water collection (Hawkett, Zhu, Nguyen): The synthesis under realistic atmospheric conditions. of polymeric Janus nanoparticles has Self-assembled monolayers on been refined to the point where we can different solid substrates(Hong, now produce new materials that are Nelson, Wood): We have developed beneficial to the paint industry. In our Figure 2 an in-peth understanding of self- ARC Linkage grant with Dulux Australia assembled monolayer films that form we have shown that they offer multiple on solid surfaces using halogen bond and advanced functions. interactions. The strong adsorption The Neto group 2017 of perfluorinated alkanes produces hydrophobic surfaces with extremely low free energy, which might be able to provide useful electronic properties when added to semiconductor surfaces. This new family of self- assembled monolayer could find ideal application in the electronic field, where use of protic solvents is deleterious for high efficiency. Fouling and drag reduction by slippery liquid infused surfaces (Peppou-Chapman, Scarratt, Smith- Palmer, Owais): Slippery liquid infused surfaces formed through the 28 RESEARCH PROFILES

ASSOCIATE PROFESSOR ELIZABETH NEW

The main research focus of the group is the development of chemical tools to assist the study of biological systems. Chemical synthesis holds the key to uncovering molecular interactions within cells, which cannot be probed by con- ventional imaging techniques. We are mainly interested in preparing fluorescent sensors for use in confocal micros- copy and flow cytometry, and in developing responsive contrast agents for magnetic resonance imaging (MRI).

CHEMICAL PROBES FOR BIOLOGY sensitive systems (Chem. Commun., understood, highlighting the need for Fluorescent sensors based on 2017, 53, 3571). new tools to study Pt in cells. We have 1,8-naphthalimides (Chrzanowski†, The effects of cancer treatments on prepared new sensors of platinum Jolliffe, Leslie, Shen, Yang): labile metal pools (Akerfeldt, Carney, metabolites, including trans-platinum 1,8-Naphthalimides are green-emitting Chan, Graziotto, Hambley Kolanowski, species (Sens. Actuators, B, 2018, fluorophores commonly used in Shen): We are developing probes for 255, 2721). We have also applied size responsive sensors, including in our biologically-relevant metal ions, that exclusion chromatography inductively- redox-responsive probes. We have can be used to provide information coupled plasma mass spectrometry reported modified structures with about how labile metal pools change (SEC-ICP-MS) to investigate greatly expanded photophysical with chemotherapy. For example, we interactions of platinum complexes with properties (Chem. – Eur. J., 2018, 24, have developed and used a ratiometric cellular proteins (J. Inorg. Biochem., 5569), and have used these properties iron sensor to study the efficacy of 2017, 177, 328). iron chelation therapy (Metallomics, to design hypoxia sensors (Org. Biomol. Fluorescent sensing arrays (Jolliffe, 2018, DOI: 10.1039/C7MT00297A) and Chem., 2018, 16, 619). Mitchell, Smith, Zwicker): Cross- have uncovered changes in subcellular New fluorescent sensors for the copper distribution in response to reactive arrays of fluorophore enable study of oxidative stress in biology cisplatin treatment (J. Biol. Inorg. the sensing of complex fluids that † (Fraser , Ghrayche, Lay, Lin, Trinh): Chem., 2017, 22, 765). contain many similar analytes (Analyst, We have continued in our quest to 2017, 142, 3549). We are working on a New methods to study platinum understand how perturbations in range of methods to generate diversity anticancer therapy (Graziotto, cellular redox state are related to of sensing elements to measure Hambley, Kolanowski, Lim, Mitchell, disease, focussing primarily on how analytes in environmental and biological Roberts†, Wang): Platinum-based we can target our probes to specific samples. anticancer agents play an important sub-cellular organelles. We have also role in chemotherapy, but their † collaborators from outside the School extended our network of collaborators interactions with cells remain poorly of Chemistry who are applying our probes in various biological studies including stem cell differentiation, bacterial infection, The New group, 2017 neurodegeneration and cancer. Responsive magnetic resonance sensors (Bonnitcha, Harris, Kolanowski, O’Neill): Magnetic resonance imaging (MRI) offers the possibility of high resolution, whole animal imaging. We are developing gadolinium-based MRI contrast agents that respond to hypoxia and oxidative stress. We are also investigating novel cobalt systems, including hypoxia-responsive (Inorg. Chem, 2017, 56, 9860) and anion- RESEARCH PROFILES 29

PROFESSOR RICHARD PAYNE

Our Research is focused on using synthetic organic chemistry to probe problems of biological and medical significance.

therapy chloroquine (J. Med. Chem. New methods for the chemical syn- 2014, 10557). thesis of therapeutic proteins (Liu, Mitchell, Premdjee, Sayers, Wang and Synthetic glycopeptides as cancer Wang): Peptides and proteins mediate vaccine candidates (Artner, Corcilius, ORGANIC SYNTHESIS, DRUG a number of important biological func- McDonald, Stanojevic, Byrne): The DISCOVERY & CHEMICAL BIOLOGY tions and therefore represent attractive over-expression and aberrant glycosyl- candidates for novel therapeutics. The Tuberculosis drug discovery (Dowman, ation of the protein MUC1 in epithelial development of concise synthetic routes Elias, Giltrap, Hawkins, Tran, Watson, cancers (including breast, colon, lung, to these complex targets is essential Britton): Mycobacterium tuberculosis, ovarian and pancreatic cancers) leads for pharmaceutical application. We have the etiological agent of tuberculosis to the clustered presentation of highly (TB), is a devastating human pathogen. developed a number of new synthetic truncated, tumour-associated carbo- Every second a new person is infected ligation strategies that enable the rapid hydrate antigens (TACAs) on the cell with M. tuberculosis, resulting in close and efficient construction of peptide and surface. Glycopeptides which display to 2 million deaths from TB annually. protein targets (Chem. Sci. 2014, 260, multiple copies of these carbohydrates The emergence of multi-drug resistant Curr. Opin. Chem. Biol. 2014, 70, Org. Lett. (MDR) and extensively drug resistant represent valuable targets for the 2015, 2070, Angew. Chem. Int. Ed. 2015, (XDR) strains of M. tuberculosis development of cancer vaccines. We 12716, J. Am. Chem. Soc. 2015, 14011, threaten to overcome current drug have developed novel chemistry for the Acc. Chem. Res. 2015, 2251). We have regimens. TB therapeutics with novel synthesis of TACA-derived amino acids further demonstrated the utility of these modes of action are therefore urgently (Org. Lett. 2013, 5794) and for the techniques through the total synthesis of needed. We have recently discovered generation of a library of self-adjuvant- homogeneous variants of anti-thrombotic a number of new TB drug leads via the ing, multi-component glycopeptide can- proteins including hirudin P6 from medici- use of structure-based inhibitor design cer vaccine candidates. We have shown nal leeches (Angew. Chem. Int. Ed. 2014, and through the synthesis of natural that these vaccines provide strong and 3947) and madanin-1 and chimadanin products and natural product analogues sustained antibody responses against from bush ticks (J. Am. Chem. Soc. 2014, (e.g. Org. Lett. in press). tumour-associated epitopes in mice 8161). We are currently evaluating the Total synthesis of marine natural prod- models (Chem. Commun. 2014, 10273, therapeutic potential of synthetic protein ucts as novel antimalarials (Chung, Front. Chem. Biol. 2015). analogues based on these motifs. Stoye, Hunt, Rosenthal): Malaria is a mosquito-borne infectious disease Payne Research Group caused by protozoan parasites of the genus Plasmodium, with the most severe human form of malaria caused by Plasmodium falciparum (responsible for ca. one million deaths annually). We have developed an efficient chemical synthesis of the natural product gallin- amide A, isolated from a marine cyano- bacterium (Chem. Eur. J. 2011, 13544). A library of gallinamide A analogues have now been synthesized and several have exhibited more potent antimalarial activity than the frontline antimalarial 30 RESEARCH PROFILES

PROFESSOR LOUIS RENDINA

Our research group is primarily interested in synthesis and the medicinal chemistry of boron and the lanthanoid elements, particularly gadolinium.

SYNTHESIS AND INORGANIC DRUG over normal, human glial (SVG p12) New boron fluorophores for near-IR DISCOVERY cells. Significant numbers (> 1010) biological applications (Marfavi, New): of Gd atoms (equating to ca. 3 x 103 Fluorescently-labelled molecules are Our research group has a strong ppm) can also be delivered to a single invaluable tools in microscopy. There interest in synthesis and the design of T98G cell. Importantly, in vitro PAT is a continuing need to develop new new boron and lanthanoid agents for experiments involving the prototype application in medicine, particularly in types of fluorophores, particularly Gd(III) complex and synchrotron X-ray cutting-edge cancer treatments known those that emit in the near-IR. This photons (60 keV) demonstrate an as Neutron Capture Therapy (NCT) project involves the rational design unprecedented level of T98G cell kill and Photon Activation Therapy (PAT). and synthesis of new boron-containing and selectivity in the presence of both To date, we have discovered several fluorophores, their photophysical the Gd(III) complex and synchrotron new classes of DNA-, mitochondrial- characterisation and also biological X-ray radiation. and tumour-targeted compounds and studies. Recently, we developed the we are actively exploring their potential Carboranes as unique structural first coumarin derivatives containing a as PAT and NCT agents. We are also frameworks in medicinal chemistry carborane cage. All these compounds actively exploring the application (Dasgupta, Kassiou, Kavianpour): A showed excellent hydrolytic stability of boron clusters, in particular the lack of structural diversity in potential and intriguing luminescence properties carboranes, as unique types of drug candidates has been cited as in aqueous solution. structural frameworks in medicinal a serious bottleneck in the drug chemistry. discovery process. This factor alone New gadolinium agents for binary has severely limited exploration of cancer therapies (Hall, Harris†, the so-called biologically-relevant Robertson): An important breakthrough “chemical space” over the past made by our group opens up new century. The unique chemistry horizons in the delivery of Gd to of boron offers great promise in tumour-cell mitochondria for potential expanding the size and scope of application as new ‘theranostic’ biologically-relevant “chemical agents for PAT, NCT and MRI. We space” in the search for novel recently reported a new class of drug leads. We are currently Gd(III) complexes with the necessary evaluating the application of robust characteristics for efficient tumour boron clusters (in particular, the targeting by exploiting a mitochondrial carboranes) as unique structural uptake mechanism. Such agents elements in drug design. To date, display low in vitro cytotoxicity in the we have developed the first absence of neutrons/photons and a boron agents that can target the high propensity to accumulate within indoleamine 2,3-dioxygenase 1 (IDO1) the mitochondria of human brain and histone deacetylase (HDAC) tumour (T98G) cells. Our prototype enzymes which are directly involved Gd(III) complex also exhibits a high in tumour immunity escape and degree of selectivity for T98G cells tumour cell epigenetics, respectively. RESEARCH PROFILES 31

ASSOCIATE PROFESSOR PETER RUTLEDGE

Our research combines organic synthesis and bio-organic chemistry to develop new drugs and sensors for biomedical applications, chemical solutions to environmental problems, and biologically-inspired catalysts for synthesis.

MOLECULAR PROBES & SENSORS versatile coordination behaviour of ANTIBIOTICS In 2017 we reported an effective cyclam-scorpionands and ligand We completed a comprehensive method for monitoring ligand displacement via changes in protonation review of cyclobutanone analogues displacement in cyclam-scorpionand state (Chem. Eur. J. 24 1573, 2018, with of b-lactams, and their capacity to complexes using NMR, an important Yu Heng Lau, Jack Clegg, Jason Price, inhibit b-lactamase enzymes and thus step forward in our search for chemical Rene Macquart and Mat Todd). combat the burgeoning threat of probes to visualise interactions between Our work on smartphone sensing antimicrobial resistance (ChemBioChem small molecule ligands and biomolecules with John Canning (interdisciplinary 18 338-351, 2017, with Prarthana Devi (Eur. J. Inorg. Chem. 2017 1075, 2017, Photonics Laboratories, iPL) and Abbas and Nicole Groves). Our article brings with Joseph Wong, Nicholas Proschogo together >35 years of research on Jamalipour (School of Electrical and and Mat Todd). Our approach exploits cyclobutanones, which are isosteric Information Engineering) continued anion-induced ligand displacement to with b-lactams - the eponymous cyclic 1 in 2017, to include time-resolved and trigger coordination changes, and H amide of the lactam is replaced with 2 temperature tuneable measurements on and H NMR to follow these changes. an all-carbon ring - and have been a smartphone fluorimeter Analyst( 142 Extending this idea further, we have explored as prospective antibiotics and just reported a series of ‘molecular 1953, 2017, with Arafat Hossain, Zhikang as inhibitors of b-lactamases and other switches for any pH’ that utilise the Yu, Sandra Ast and Joseph Wong). serine proteases (Figure 1). Work also continued to investigate structure/ activity relationships in our cyclam-derived antitubercular agents (J. Med. Chem. 59 5917, 2016) and demonstrate efficacy inin vivo models (with Malcolm Spain, Joseph Wong, Jamie Batten, Gaya Nagalingam, Xiao Fan Jiang, Hasini Murage, Jack Orford, Patrick Crisologo, Mat Todd and Jamie Triccas). In natural products discovery, in 2017 we isolated and characterised more than a dozen new and not-so- new secondary metabolites with a range of interesting structures and biological activity from terrestrial and marine organisms (with Mojdeh Dinarvand, Diana Quan, Jamie Triccas; Heather Lacey, Rob Baker, Ian Luck, Nick Proschogo, David Antonjuk Cyclobutanone Analogues of b-Lactam Antibiotics: b-Lactamase Inhibitors with and Ern Lacey, Microbial Screening Untapped Potential? P. Devi & P. J. Rutledge ChemBioChem 18 338 (2017). DOI: 10.1002/cbic.201600529 Technologies, MST). 32 RESEARCH PROFILES

ASSOCIATE PROFESSOR SIEGBERT SCHMID

Research in my group focuses on two major areas. Projects in Materials Chemistry aim to develop novel materials for, e.g., sustainable electrochemical storage applications. Chemistry Education research projects are designed to improve our understanding of how we best support student learning in a variety of formats.

INORGANIC SOLID STATE improved properties. A detailed GIC pastes are important to interpret CHEMISTRY AND CHEMISTRY understanding of structure property our closely related results from EDUCATION RESEARCH relationships is required to develop nanoindentation and compressive Towards sustainable energy storage such materials by design rather than strengths tests. The thermally (Murphy, Godfrey, Kepert, Kuhn†): accident. We have investigated four induced amorphous-to-crystalline Interest has been growing in the series of lead-free compounds in transition of fluoroaluminosilicate development of Na-ion batteries, due the Ba-Sr-Ti-Nb-O and Sr-Zr-Ti- glass to fluorapatite glass-ceramic to abundance of Na (compared to Li) Nb-O systems which either adopt is also investigated to determine the and safety aspects. Applications of perovskite or closely-related tungsten morphology of the fluorapatite phase in metal organic frameworks (MOFs) bronze type structures. Structural the glassy matrix. and polyanionic compounds (silicates, investigations were performed using borates) as positive electrode materials a combination of synchrotron X-ray in such rechargeable battery systems and neutron powder diffraction † Collaborators from outside the School have been investigated. MOFs with data as well as thermogravimetric of Chemistry redox active metal centres have analyses. Composition and temperature the potential for development as dependent phase transitions were high capacity electrode materials determined in all systems. Ferroelectric 1. T. A. Whittle, W. R. Brant, J. with inherent structural stability properties were investigated for R. Hester, Q. Gu. & S. Schmid, and flexibility. A number of Prussian selected samples. blue type analogues have been Dalton Trans. (2017). Tailoring Nanostructural investigation of phase transition temperatures in synthesised and Na inserted chemically. dental-filling materials(Loy, Matori†, perovskites via A-site vacancy Electrochemical investigations of the Zainuddin†): Glass ionomer cement generation. DOI: 10.1039/ insertion properties are underway. (GIC) is the standard dental filling c7dt00352h For the polyanionic compounds, material. The aim of this project is to Na analogues of established Li-ion investigate the polymer-glass-hydrogel 2. W. R. Brant, M. Roberts, T. insertion materials are investigated. phase evolution of freshly-made GIC Gustafsson, J. J. Biendicho, S. The syntheses of many of these pastes by using Ultra Small Angle Hull, H. Ehrenberg, K. Edström compounds have been completed and Neutron Scattering in conjunction with & S. Schmid, J. Power Sources structural characterisation and property Small Angle Neutron Scattering, FTIR (2016). A large format in operando measurements are underway. and Field Emission SEM. GIC paste has wound cell for analysing the Relaxor ferroelectrics in the Ba-Sr- a complex structure, which consists structural dynamics of lithium Ti-Nb-O and Sr-Zr-Ti-Nb-O systems of polyacrylate, glass, hydrogel and insertion materials. DOI: 10.1016/j. † (Whittle, Howard ): Ferroelectric air phases. The phase evolution of jpowsour.2016.10.071 materials are ubiquitous in technological GIC pastes affects the pore structure applications, e.g., from everyday and mechanical properties of GIC. 3. D. T. Murphy, S. Schmid, J. R. consumer electronics to sophisticated The combination of techniques is Hester, P. E. R. Blanchard & W. technical instruments. The drive necessary to study the cement phase Miiller, Inorg. Chem. (2015). to make smaller and more efficient evolution and pore structure of GIC Co-ordination site disorder in

devices is behind the attempt to pastes in the expected length scale of spinel-type LiMnTiO4. DOI: 10.1021/ develop ferroelectric materials with 2-400 nm. The nanoscale features of ic502747p RESEARCH PROFILES 33

ASSOCIATE PROFESSOR MATTHEW TODD

We discover new ways to make molecules, either by studying reaction mechanisms or designing catalysts. Many of the molecules have uses as treatments for tropical diseases or as sensors for deployment in cells. We are devising new, open ways to carry out this research that allows anyone in the world to participate.

ORGANIC SYNTHESIS, CATALYSIS company for the international market the synthesis of an expensive drug, an AND MEDICINAL CHEMISTRY and has furthered research in the achievement that was widely reported private sector. in the media.2i The Open Source Malaria Consortium: We recently demonstrated an important We have extended this idea to Responsive metal complexes: My proof of concept – that a challenging open source drug discovery. With group pioneered a new kind of research problem can be solved more the Medicines for Malaria Venture, coordination compound that changes quickly if the research is carried out GlaxoSmithKline and a wide range of its shape in a defined way when it binds openly and anyone can contribute. people who have spontaneously joined a biological molecule.3 The central metal The problem was the preparation of the project, we have prosecuted hit- atom of these complexes is coordinated an important drug for the neglected to-lead campaigns in antimalarial drug by a “scorpion” ligand that is removed tropical disease schistosomiasis discovery where all data and ideas are upon binding, and the metal acts as a (Bilharzia). Our collaborators at the freely shared: The Open Source Malaria sensor of this event. We are working World Health Organisation needed this (OSM) Consortium.2a We have devised with Peter Rutledge’s group to adapt inexpensive drug, praziquantel, as a a technical platform applicable to any this important idea for various medical single enantiomer on a large scale. To transparent, patent-free research areas, since such selective responses make a drug asymmetrically without endeavour.2bc The consortium recently to biological molecules embody the increasing the price is a problem that published its first major research paper original concept of magic bullet drugs. industry and academia are ill-equipped describing a new series of potent We have successfully attached a to tackle. antimalarials,2d and is now working range of small molecule ligands to on a different series with in vivo these new metal complexes, and are Traditionally, science is conducted by efficacy. This prize-winning2e research now evaluating their behaviour,4a-c in groups working in isolation and in demonstrates a new way to discover particular following up a serendipitous competition with one another. Rather medicines that we have begun to apply discovery of their potency vs. drug- than using this model we reported all to other diseases such as tuberculosis.2f resistant tuberculosis.4d of our research openly on the web, and More broadly we have proposed this simple change encouraged a large a roadmap towards Open Source References: amount of spontaneous assistance Pharma2g as a competing model for the 1. a) Nature Chemistry 2011, 3, 745; b) PLoS from around the world, resulting in a traditional pharmaceutical industry, and Negl. Trop. Dis. 2011, 5(9): e1260 1 were awarded $4M from Tata Trusts rapid solution to the synthetic problem. 2. a) opensourcemalaria.org; b) Parasitology Despite there being no patents on our to establish a foundation in India to 2014, 141, 148; c) Chem. Sci. 2015, 6, 1614; discovery it is being developed by a support open source projects around d) ACS Central Science 2016, 2, 687; e) the world.2h In 2016 http://youtu.be/gCOokjOiVTc; f) PLoS Dr Alice Williamson ONE 2014, 9(12): e111782; g) PLoS Med. and I, with the 2017, 14(4): e1002276; h) http://tinyurl.com/ rest of the OSM n7zkhrf; i) http://tinyurl.com/daraprim community, worked 3. Chem. Eur. J. 2009, 15, 3720 with students from 4. a) ChemBioChem 2013, 14, 224; b) Eur. J. Sydney Grammar Inorg. Chem. 2012, 5611; c) ChemistryOpen School to enable 2013 2, 99; c) Metallomics 2014, 6, 1931; d) them to complete J. Med. Chem. 2016, 59, 5917. 34 RESEARCH PROFILES

PROFESSOR GREGORY WARR

We investigate how macroscopic properties and functionality arise by interrogating the nanoscale structure of soft matter using neutron and X-ray beam techniques.

built from simple organic salts, including new class of solvents for novel forms of choline, carboxylic and amino acids, and soft matter. incorporating low-volatility molecular As self-assembly is a form of com- IONIC LIQUIDS AND LOW WATER- components such as urea, glycerol or ACTIVITY SOLVENTS water bound into the liquid by strong in- partmentalisation widely regarded as a necessary precursor to the origin of life, (Jiang, Bryant, FitzGerald, Atkin,* termolecular forces. These include both we have explored a range of extreme Chen,* MacDonald,* Imberti,*): In solutions and deep eutectic Solvents conditions to explore where life might our work we explore unconventional (DES). DES are mixtures of two high liquids and solvents typified by room- melting-point components, usually, a salt either arise or be artificially suspended temperature ionic liquids (ILs) – salts and a molecular H-bond donor that form and sustained. We have investigated that melt near or preferably below room a stable liquid far below the melting lipid bilayer formation, stability and the temperature. We focus on understand- point of either pure component. function of simple biomolecules function ing how their unique physical and Our work has shown how the liquid in ILs and DESs showing, for example, chemical characteristics arise from their structure of ILs and related mixtures dif- how selective ion transport can be pre- nanoscale structure, and how that can fer from simple electrolytes, frequently served in these nonaqueous media. be designed by manipulating molecular containing clusters of polar and non- structure and intermolecular forces. polar groups arranged into extended Using neutron diffraction at the Ruth- nanoscale domains. A key outcome erford Appleton Laboratory in the UK has been to show how the presence alongside molecular simulations, small- of these two immiscible domains aids angle neutron scattering at the ANSTO in the dissolution of complex solutes, Opal reactor, and X-ray scattering in our with important implications for own laboratory, we have found strik- bioprocessing such as the extraction ing changes can be introduced into IL of lignins, and how to optimise the structure by changing organic cation or design of new IL-based solvents. anion or by mixing salts or organic mol- ILs and DESs are also remarkable ecules. These impact on the properties in their ability to support the self- Loading ionic liquid samples onto the small angle neutron of ILs, and their use for a wide range of diffractometer for amorphous and liquid samples (SANDALS) assembly of complex, at the Rutherford Appleton Laboratories in the UK. applications from synthesis and catalysis amphiphilic solutes like sur- to bioprocessing and energy storage. factants, lipids and block- Recently we have shown that surface copolymers. Although many structure can induce the spontaneous exotic solvents support exfoliation of layered materials into 2D amphiphilic self-assembly, nanomaterials such as graphene. they do not simply mimic A key property of ILs and their solutions water: Addition of simple is that their liquid phase is stable over a molecular solutes like ali- wide temperature range, and that they phatic alcohols leads to the have remarkably low vapour pressures, formation of microemul- so do not evaporate. This often comes sion-like fluids that have at the cost of incorporating environmen- no parallel in water, as well tally-unfriendly components, such as as supporting conventional fluorine-rich anions. Our work focusses amphiphilic self-assembly Simulation box describing neutron diffraction results showing the on a more sustainable approach incorpo- into micelles, vesicles and interpenetrating domains of polar groups (-OH; -NH3+; NO3- in red) and the non-polar propyl (purple) and octyl (grey) chains in mixtures of the IL rating bio-friendly materials such as ILs liquid crystals, heralding a propylammonium nitrate with n-octanol. 35

DR SHELLEY WICKHAM

Our group uses DNA as a molecular building block for self-assembling nanoscale structures and devices, for applications as tools for single molecule biophysics, platforms for diagnostics and therapeutics, and templates for nanofabrication.

frequency (RF)). It can be modified undergraduates build innovative and to carry many different cargos, or functional nanoscale devices using the to respond to different cell surface molecules of life. Previous projects DNA ORIGAMI signals, depending on the target have used DNA, RNA, and proteins type. Our group is currently working DNA origami is a method for making as building blocks to create nanoscale on the controlled melting of gold 3-dimensional DNA nanostructures robots, molecular computers, and nanoparticle–DNA complexes using RF, with arbitrary shapes by folding up a nano-therapeutics. Our group in the and in vitro targeting to specific cancer long single-stranded DNA ‘scaffold’. School of Chemistry is home of the cell lines using DNA aptamers. Custom DNA origami nanostructures USyd BIOMOD team. In 2017 a team can be designed as tools for specific Top-down meets bottom-up (in of 6 students from Engineering, Arts biophysical measurements. For collaboration with Prof. Marcela and Science worked together to build example, a DNA origami nano-spring, Bilek, USyd Physics, and Dr. Anna a rapid point of care diagnostic device, which was used to simultaneously Waterhouse, Heart Research Institute): and received a Gold Project Award measure force and position of the We are working to combine the in recognition of the quality of their protein motor Myosin VI during strengths of top-down and bottom- scientific results and presentation, stepping (Nat. Commun. 2016, 7, up nanofabrication to build hybrid which placed them in the top 7 of 13715). structures. In traditional top-down teams internationally. nanofabrication, large systems pattern Our current research focuses on a semiconductor substrate to build hierarchical assembly of many DNA up sophisticated devices. In contrast, origami components into much larger in the emerging field of bottom-up assemblies. These nanostructures can nanotechnology, clever design of act as versatile nanoscale pegboards molecular interactions drives the self- for applications requiring complex assembly of smaller building blocks 3D arrangements of matter, with as into more complex structures, with many as 2000 uniquely addressable smaller features. We are bridging the pixels spaced 9 nm apart. For example, gap between these two technologies they have been used to template by assembling DNA origami polymer nanowires as components nanostructures onto lithographically for nano-electronic circuits, and patterned substrates to build integrated decorated with proteins to study the devices. These devices will be applied, Figure 1: DNA origami barrels assembled with gold or shape-dependence of nanoparticle iron oxide nanoparticles for example, to understand biological interactions with cells. problems such as why blood clots form on implanted medical devices - their DNA NANOTECHNOLOGY TOOLS main cause of failure.

DNA nanobots for drug delivery (in BIOMOD collaboration with A/Prof Ali Abbas, USyd Chemical Engineering): We have (in collaboration with Dr Alice designed a DNA origami nanobot, Williamson, USyd Chemistry, and Dr which is a multifunctional construct Anna Waterhouse, Heart Research with the ability to carry payloads (eg. Institute): BIOMOD is an annual siRNA, endosomal escape agent), international biomolecular design target specific cancer cells, and competition held at UCSF in San The Sydney DNA group. (L-R) Shelley Wickham, Minh respond to external stimuli (eg. radio Francisco, CA, where teams of Tri Luu, Michael Rinaudo, Jasleen Daljit Singh 36 RESEARCH PROFILES

DR ASAPH WIDMER-COOPER

We use mathematical modelling and computer simula- tions to explain the behaviour of existing materials and to design new materials for solar energy capture, sensing, and optics. We are particularly interested in the dynamical properties of complex fluids and the beautiful structures that appear spontaneously in these systems through the self-assembly of molecular and colloidal components.

THEORETICAL AND or sintering, are therefore important COMPUTATIONAL NANOSCIENCE challenges. Ligand-mediated interactions Many nanoparticles are covered in between nanoparticles (Hagan, ligand monolayers, which we have Smith, Jiang, Monego, Geissler – shown can undergo a temperature- U.C. Berkeley, Mulvaney – U. of dependent ordering transition in Melbourne, Kraus – INM Saarbrücken): solution that is capable of switching Nanoparticles are appealing building the particle-particle interaction blocks for creating new materials via from repulsive to attractive. We solution-phase processes. Depending are now working with experimental on the application, it can be desirable collaborators in Australia and Germany Figure 2. Rod-shaped nanoparticles can for the particles to be well dispersed to characterise this behaviour in assemble into liquid-crystal-like aggregates in solution and at interfaces. We are or aggregated into structures with dispersions of Au and CdSe particles investigating how this can be used to (Fig. 1), and have so far been able print materials with anisotropic transport specific morphologies. Assessing and properties. controlling the interaction between the to use our molecular-scale insight to particles, a key factor in their assembly explain a range of unexpected results. and stability to random aggregation This includes a transition from ligand- to core-dominated aggregation as the Assembly of nanorods for solar particle size increases, which leads energy applications (Young, Wood, to an inversion of the effect of ligand Modestino – New York University length on particle stability, and solvent Segalman – U.C. San Diego): Among dependencies that run counter to the the barriers to making cheaper solar predictions of conventional colloid cells is the high cost of the single theory. crystalline silicon and vapor deposition Our results add to a growing body methods commonly used today. One of evidence that ligand-mediated possible solution is to print solar interactions can exert a particularly cells using an ink of semiconducting Figure 1. The aggregation of small Au nanoparticles strong influence on the solution nanoparticles. To this end, we are in decane is driven by attraction between ligand monolayers on their surface. stability and assembly of nanoparticles. investigating how rod-shaped nanoparticles form ordered aggregates

The group 2017 in solution and at interfaces with the goal of finding a robust way to assemble large ‘carpets’ of aligned nanorods (Fig. 2). This ARC-funded project involves the development of new simulation techniques and collaboration with experimentalists in the United States who have used SAXS to study self-assembly in rod/ polymer mixtures. PUBLICATIONS 37

BOOK CHAPTERS

1. Kolanowski, JL; Shen, C and New, EJ. Fluorescent probes for the analysis of labile metals in brain cells. Book chapter in: Metals in the Brain (part of the Neuromethods book series), ISBN: 978-1-4939-6916-6, Volume 124, Chapter 4, 51-70, 2017.

Courtesty of A/Prof Chiara Neto 38 PUBLICATIONS

JOURNAL PUBLICATIONS

1. Abrahams, BF; Dharma, AD; Donnelly, PS; Hudson, and Mcintyre, GJ. Understanding the unusual response

TA; Kepert, CJ; Robson, R; Southon, PD and White, to high pressure in KBe2BO3F2. Scientific Reports, 7 (1), KF. Tunable porous coordination polymers for the 4027, 2017. capture, recovery and storage of inhalation anesthetics. 12. Bacskay, GB and Nordholm, S; Covalent bonding in the Chemistry: A European Journal, 23 (33), 7871-7875, hydrogen molecule. The Journal of Physical Chemistry 2017. A, 121 (48), 9330-9345, 2017. 2. Akerfeldt, MC; Tran, CM-N; Shen, C; Hambley, TW 13. Balasegaram, M; Kolb, P; McKew, J; Menon, J; Olliaro, and New, EJ. Interactions of cisplatin and the copper P; Sablinski, T; Thomas, Z; Todd, MH; Torreele, E and transporter CTR1 in human colon cancer cells. Journal Wilbanks, J. (Essay) An open source pharma roadmap. of Biological Inorganic Chemistry, 22 (5), 765-774, 2017. PLOS|Medicine, 14 (4), e1002276, 2017. 3. Akiyoshi, R; Kuroiwa, K; Amolegbe, SA; Nakaya, M; 14. Barkhordarian, A and Kepert, CJ. Two new porous Ohtani, R; Nakamura, M; Lindoy, LF and Hayami, S. UiO-66-type zirconium frameworks; open aromatic Supramolecular architectures self-assembled using long N-donor sites and their post-synthetic methylation and chain alkylated spin crossover cobalt(II) compounds. metallation. Journal of Materials Chemistry A, 5 (11), Chemical Communications, 53 (34), 4685-4687, 2017. 5612-5618, 2017. 4. Alim, MA; Bak, T; Atanacio, A; Ionescu, M; Kennedy, B; 15. Bromhead, LJ and McErlean, CSP. Accessing single Price, WS; Du Plessis, J; Pourmahdavi, M; Zhou, M; enantiomer strigolactones: Progress and opportunities. Torres, A and Nowotny, J. Photocatalytic properties of European Journal of Organic Chemistry, 2017 (38), Ta-doped TiO . Ionics, 23 (12), 3517-3531, 2017. 2 5712-5723, 2017. 5. Al-Khayat, O; Hong, JK; Beck, DM; Minett, AI and Neto, 16. Bryant, SJ; Wood, K; Atkin, R and Warr, GG. Effect of C. Patterned polymer coatings increase the efficiency protic ionic liquid nanostructure on phospholipid vesicle of dew harvesting. ACS Applied Materials & Interfaces, formation. Soft Matter, 13 (7), 1364-1370, 2017. 9 (15), 13676-13684, 2017. 17. Bryant, MR; Burrows, AD; Kepert, CJ; Southon, PD; 6. Amabilino, DB and Gale, PA. Supramolecular chemistry Qazvini, OT; Telfer, SG and Richardson, C. Mixed- anniversary. Chemical Society Reviews, 46 (9), 2376- component sulfone-sulfoxide tagged zinc IRMOFs: In 2377, 2017. situ ligand oxidation, carbon dioxide, and water sorption 7. Araman, C; Thompson, RE; Wang, S; Hacki, S; Payne, RJ studies. Crystal Growth & Design, 17 (4), 2016-2023, and Becker, CFW. Semisynthetic prion protein (PrP) 2017. variants carrying glycan mimics at position 181 and 197 18. Bryant, SJ; Atkin, R and Warr, GG. Effect of deep do not form fibrils. Chemical Science, 8 (9), 6626-6632, eutectic solvent nanostructure on phospholipid biolayer 2017. phases. Langmuir, 33 (27), 6878-6884, 2017. 8. Ariawan, AD; Webb, JEA; Howe, ENW; Gale, PA; 19. Busschaert, N; Park, S-H; Baek, K-H; Choi, YP; Park, J; Thordarson, P and Hunter, L. Cyclic peptide unguisin A Howe, ENW; Hiscock, JR; Karagiannidis, LE; Marques, is an anion receptor with high affinity for phosphate and I; Félix, V; Namkung, W; Sessler, JL; Gale, PA and Shin, pyrophosphate. Organic & Biomolecular Chemistry, 15 I. A synthetic ion transporter that disrupts autophagy (14), 2962-2967, 2017. and induces apoptosis by perturbing cellular chloride 9. Arrua, RD; Peristyy, A; Nesterenko, PN; Das, A; concentrations. Nature Chemistry, 9 (7), 667-675, 2017. D’Alessandro, DM and Hilder, EF. UiO-66@SiO 2 20. Busse, M; Windsor, MSA; Tefay, AJ; Kardashinsky, M; core-shell microparticles as stationary phases for the Fenton, JM; Morrison, DE; Harris, HH and Rendina, LM. separation of small organic molecules. Analyst, 142 (3), Tumor cell uptake and selectivity of gadolinium(III)- 517-524, 2017. phosphonium complexes: The role of delocalisation 10. Auckett, JE and Ling, CD. A reinterpretation of the at the phosphonium centre. Journal of Inorganic structural and magnetic properties of Biochemistry, 177, 313-321, 2017. La Na SrMn O5+d (0.1 ≤ x ≤ 0.3). Materials Chemistry 1-x x 2 21. Caddy, JS; Faust, TB; Walton, IM; Cox, JM; Benedict, and Physics, 186, 1-4, 2017. JB; Solomon, MB; Southon, PD; Kepert, CJ and 11. Avdeev, DHY; Sun, DH; Huston, LQ; Shiell, TB; Sun, QB; D’Alessandro, DM. Photoactive and physical properties Lu, T; Gu, Q; Liu, H; Bradby, JE; Yie, N; Liu, Y; Wang, JY of an azobenzene-containing coordination framework. PUBLICATIONS 39

Australian Journal of Chemistry, 70 (11), 1171-1179, 2017. aegyptiaca Pers. Allelopathy Journal, 41 (1), 65-80, 22. Carter, EA; Wood, ML; de Waal, D and Edwards, HGM. 2017. Porcelain shards from Portuguese wrecks: Raman 32. Chi, Q; Ford, MJ; Halder, A; Hush, NS; Reimers, JR and spectroscopic analysis of marine archaeological Ulstrup, J. Sulfur ligand mediated electrochemistry of ceramics. Heritage Science, 5 (1), article 17, 2017. gold surfaces and nanoparticles: What, how, and why. 23. Cattelan, L; Perosa, A; Riello, P; Maschmeyer, T and Current Opinion in Electrochemistry, 1 (1), 7-15, 2017. Selva, M. Continuous-flowO -alkylation of biobased 33. Chua, SW; Cornejo, A; van Eersel, J; Stevens, CH; derivatives with dialkyl carbonates in the presence Vaca, I; Cueto, M; Kassiou, M; Gladbach, A; Macmillan, of magnesium- aluminium hydrotalcites as catalyst A; Lewis, L; Whan, R and Ittner, LM. The polyphenol precursors. ChemSusChem, 10 (7), 1571-1583, 2017. altenusin inhibits in vitro fibrillization of tau and reduces 24. Cattelan, L; Yuen, AKL; Lui, M; Masters, AF; Selva, M; induced tau pathology in primary neurons. ACS Perosa, A and Maschmeyer, T. Renewable aromatics Chemical Neuroscience, 8 (4), 743-751, 2017. from Kraft lignin with molybdenum-based catalysts. 34. Clegg, JK; Brock, AJ; Jolliffe, KA; Lindoy, LF; Parsons, S; ChemCatChem, 9 (14), 2717-2726, 2017. Tasker, PA and White, FJ. Reversible pressure-controlled 25. Chan, H; Ghrayche, JB; Wei, J and Renfrew. Photolabile depolymerization of a copper(II)-containing coordination ruthenium(II)-purine complexes: Phototoxicity, DNA polymer. Chemistry: European Journal, 23 (51), 12480- binding, and light-triggered drug release. European 12483, 2017. Journal of Inorganic Chemistry, 2017 (12), 1679-1686, 35. Collado-Fregoso, E; Hood, SN; Shoaee, S; Schroeder, 2017. BC; McCulloch, I; Kassal, I; Neher, D and Durrant, 26. Chan, B; Moran, D; Easton, CJ and Radom, L. Impact JR. Intercalated vs nonintercalated morphologies of hydrogen bonding on the susceptibility of peptides to in donor-acceptor bulk heterojunction solar cells: oxidation. Chemistry: An Asian Journal, 12 (13), 1485- PBTTT:fullerence charge generation and recombination 1489, 2017. revisited. The Journal of Physical Chemistry Letters, 8, 27. Cheerlavancha, R; Ahmed, A; Leung, YC; Lawer, A; Liu, 4061-4068, 2017. Q-Q; Cagnes, M; Jang, H-C; Hu, X-G and Hunter, L. 36. Corcilius, L; Elias, NT; Ochoa, JL; Linington, RG and Homologated amino acids with three vicinal fluorines Payne, RJ. Total synthesis of glycinocins A-C. The positioned along the backbone: development of a Journal of Organic Chemistry, 82 (23), 12778-12785, sterioselective synthesis. Beilstein Journal of Organic 2017. Chemistry, 13, 2316-2325, 2017. 37. Corcilius, L; Hastwell, AH; Zhang, M; Williams, J; 28. Chen, Z; Ludwig, M; Warr, GG and Atkin, R. Effect of Mackay, JP; Gresshoff, PM; Ferguson, BJ and Payne, RJ. cation alkyl chain length on surface forces and physical Arabinosylation modulates the growth-regulating activity properties in deep eutectic solvents. Journal of Colloid of the peptide hormone CLE40a from soybean. Cell and Interface Science, 494, 373-379, 2017. Chemical Biology, 24 (11), 1347-1355, 2017. 29. Chen, Z; Greaves, TL; Warr, GG and Atkin, R. Mixing 38. Coughlin, JM; Wang, Y; Minn, I; Bienko, N; Ambinder, cations with different alkyl chain lengths markedly EB; Xu, X; Peters, ME; Dougherty, JW; Vranesic, M; depresses the melting point in deep eutectic solvents Loo, SM; Ahn, H-H; Lee, M; Cottrell, C; Sair, HI; Sawa, formed from alkylammonium bromide salts and urea. A; Munrol CA; Nowinski, CJ; Dannals, RF; Lyketsos, CG; Chemical Communications, 53 (15), 2375-2377, 2017. Kassiou, M; Smith, G; Caffo, B; Mori, S; Guilarte, TR and 30. Chen, Z; McDonald, S; FitzGerald, P; Warr, GG and Pomper, MG. Imaging of glial cell activation and white Atkin, R. Small angle neutron scattering study of the matter integrity in brains of active and recently retired conformation of poly(eithylene oxide) dissolved in deep national football league players. JAMA Neurology, 74 (1), eutectic solvents. Journal of Colloid and Interface 67-74, 2017. Science, 506, 486-492, 2017. 39. Craze, AR; Huang, X-D; Etchells, I; Zheng, L-M; 31. Chen, J; Wei, J; Gao, JM; Ye, XX; McErlean, CSP and Bhadbhade, MM; Marjo, CE; Clegg, JK; Moore, EG; Ma, YQ. Allelopathic inhibitory effects ofPenicillium Avdeev, M; Lindoy, LF and Li, F. Synthesis and griseofulvum produced patulin on the seed germination characterisation of new tripodal lanthanide complexes of Orobanche cumana Wallr. and Phelipanche and investigation of their optical and magnetic 40 PUBLICATIONS

properties. Dalton Transactions, 46 (36), 12177-12184, 3159-3165, 2017. 2017. 50. Gale, PA; Davis, JT and Quesada, R. Anion transport 40. Craze, AR; Sciortino, NF; Badbhade, MM; Kepert, CJ; and supramolecular medicinal chemistry. Chemical Marjo, CE and Li, F. Investigation of the spin crossover Society Reviews, 46 (9), 2497-2519, 2017. properties of three dinulear Fe(II) triple helicates 51. Gao, N; Chiu, M and Neto, C. Receding contact line by variation of the steric nature of the ligand type. motion on nanopatterned and micropatterned polymer Inorganics, 5 (4), 62, 2017. surfaces. Langmuir, 33 (44), 12602-12608, 2017. 41. Croft, KD; Zhang, D; Jiang, R; Ayer, A; Shengule, S; 52. Garcia, A; Pratap, PR; Lüpfert, C; Cornelius, F; Payne, RJ; Ward, NC and Stocker, R. Structural Jacquemin, D; Lev, B; Allen, TW and Clarke, RJ. The requirements of flavonoids to induce heme oxygenase-1 voltage-sensitive dye RH421 detects a Na+,K+-ATPase expression. Free Radical Biology and Medicine, 113, conformational change at the membrane surface. 165-175, 2017. Biochimica et Biophysica Acta, 1859 (5), 813-823, 2017. 42. Cui, L; Ge, J-Y; Leong, CF; D’Alessandro, DM and Zuo, 53. Gebbie, MA; Smith, AM; Dobbs, HA; Lee, AA; Warr, GG; J-L. A heterometallic ferrimagnet based on a new Banquy, X; Valtiner, M; Rutland, MW; Israelachvili, JN; TTF-bis(oxamato) ligand. Dalton Transactions, 46 (12), Perkin, S and Atkin, R. Long range electrostatic forces 3980-3988, 2017. in ionic liquids. Chemical Communications, 53 (7), 1214- 43. Devi, P and Rutledge, PJ. Cyclobutanone analogues of 1224, 2017. beta-lactam antibiotics: beta-lactamase inhibitors with 54. Giltrap, AM; Haeckl, FPJ; Kurita, KL; Linington, RG untapped potential? ChemBioChem, 18 (4), 338-351, 2017. and Payne, RJ. Total synthesis of skyllamycins A-C. Chemistry: A European Journal, 23 (60), 15046-15049, 44. Dinarvand, M; Rezaee, M and Foroughi, M. Optimizing 2017. culture condictions for production of intra and extracellular inulinase and invertase from Aspergillus 55. Glenister, A; Chen, CKJ; Tondl, EM; Paterson, D; niger ATCC 20611 by response surface methodology Hambley, TW and Renfrew, AK. Targeting curcumin (RSM). Brazilian Journal of Microbiology, 48 (3), 427- to specific tumour cell environments: the influence of 441, 2017. ancillary ligands. Metallomics, 9 (6), 699-705, 2017. 45. Douglass, I; Mayger, H; Hudson, T and Harrowell, P. The 56. Goetz, RE; Isaev, TA; Nikoobakht, B; Berger, R and Koch, stabilization of tubular crystals in mixtures of spherical CP. Theoretical description of circular dichroism in particles. Soft Matter, 13 (7), 1344-1351, 2017. photoelectron angular distributions of randomly oriented chiral molecules after multi-photon photoionization. 46. Dutra, G; Canning, J; Padden, W; Martelli, C and The Journal of Chemical Physics, 146 (2), 024306, 2017. Dligatch, S. Large area optical mapping of surface contact angle. Optics Express, 25 (18), 21127, 2017. 57. Graham, M; Baker, RW and McErlean, CSP. Cationic polyene cyclization for taiwaniaquinoid construction. 47. Easton, ME; Player, LC; Masters, AF and Maschmeyer, European Journal of Organic Chemistry, 2017 (4), 908- T. Zinc electrodeposition in the presence of an aqueous 913, 2017. electrolyte containing 1-ethylpyridinium bromide: Unexpected oddities. Australian Journal of Chemistry, 58. Graziotto, ME; Akerfeldt, MC; Gunn, AP; Yang, K; 70 (9), 1025-1031, 2017. Somerville, MV; Coleman, NV; Roberts, BR; Hambley, TW and New, EJ. The influence of the ethane-1,2- 48. Eder, K; Felfer, PJ; Gault, B; Ceguerra, AV; La Fontaine, diamine ligand on the activity of a monofunctional A; Masters, AF; Maschmeyer, T and Cairney, JM. A new platinum complex. Journal of Inorganic Biochemistry, approach to understand the adsorption of thiophene on 177, 328-334, 2017. different surfaces: An atom probe investigation of self- assembled monolayers. Langmuir, 33 (38), 9573-9581, 59. Green, RL; Avdeev, M and Vogt, T. Synthesis and 2017. structural characterization of the hexagonal anti- perovskite Na CaVO F. Journal of Solid State Chemistry, 49. Feketeová, L; Chan, B; Khairallah, GN; Steinmetz, V; 2 4 250, 134-139, 2017. Maitre, P; Radom, L and O’Hair, RAJ. Watson-Crick base pair radical cation as a model for oxidative damage 60. Green, BP; Renfrew, AK; Glenister, A; Turner, P and in DNA. The Journal of Physical Chemistry Letters, 8, Hambley, TW. The influence of the ancillary ligand PUBLICATIONS 41

on the potential of cobalt(III) complexes to act as fluorescent intensity using a smartphone fluorimeter. chaperones for hydroxamic acid-based drugs. Dalton Analyst, 142 (11), 1953-1961, 2017. Transactions, 46 (45), 15897-15907, 2017. 72. Hua, C; Rizzuto, FJ; Zhang, X; Tuna, F; Collison, D and 61. Gunosewoyo, H; Yu, L; Munoz, L and Kassiou, M. D’Alessandro, DM. Spectroelectrochemical properties Kinase targets in CNS drug discovery. Future Medicinal of a Ru(II) complex with a thiazolo[5,4-d]thiazole Chemistry, 9 (3), 303-314, 2017. triarylamine ligand. New Journal of Chemistry, 41 (1), 108-114, 2017. 62. Han, C; Canning, J; Cook, K and Hossain, MA. Light- induced Au surface modification. Proceedings of SPIE, 73. Hua, C; Ge, J-Y; Tuna, F; Collison, D; Zuo, J-L and 10323, 2017. D’Alessandro, DM. Redox state manipulation of a tris(p- tetrazolylphenyl)amine ligand and its Mn2+ coordination 63. Hanna, CC; Kulkarni, SS; Watson, EE; Premdjee, B frameworks. Dalton Transactions, 46 (9), 2998-3007, and Payne, RJ. Solid-phase synthesis of peptide 2017. selenoesters via a side-chain anchoring strategy. Chemical Communications, 53 (39), 5424-5427, 2017. 74. Hua, C; Abrahams, BF; Tuna, F; Collison, D and D’Alessandro, DM. In situ spectroelectrochemical 64. Hao, Y; Murphy, GL; Bosbach, D; Modolo, G; Albrecht- investigations of RuII complexes with bispyrazolyl Schmitt, TE and Alekseev, EV. Porous uranyl methane triarylamine ligands. Australian Journal of borophosphates with unique three-dimensional open- Chemistry, 70 (5), 546-555, 2017. framework structures. Inorganic Chemistry, 56 (15), 9311-9320, 2017. 75. Hua, C; Woo, S; Rawal, A; Tuna, F; Hook, JM; Collison, D and D’Alessandro, DM. Redox-state dependent 65. Hare, DJ; New, EJ and McColl, G. Imaging metals spectroscopic properties of porous organic polymers in biology: pictures of metals in health and disease. containing furan, thiophene, and selenophene. Metallomics, 9 (4), 343-345, 2017. Australian Journal of Chemistry, 70 (11), 1227-1234, 2017. 66. Hauner, IM; Deblais, A; Beattie, JK; Kellay, H and Bonn, 76. Hua, C and D’Alessandro, DM. Systematic tuning D. The dynamic surface tension of water. The Journal of Zn(II) frameworks with furan, thiophene, and of Physical Chemistry Letters, 8, 1599-1603, 2017. selenophene dipyridyl and dicarboxylate ligands. Crystal 67. Hayward, J; Sanchez, J; Perry, A; Huang, C; Valle, MR; Growth and Design, 17 (12), 6262-6272, 2017. Canals, M; Payne, RJ and Stone, MJ. Ticks from diverse 77. Hush, NS and Radom, L. David Parker Craig 1919-2015. genera encode chemokine-inhibitory evasin proteins. Historical Records of Australian Science, 28 (2), 159-170, Journal Biological Chemistry, 292 (38), 15670-15680, 2017. 2017. 78. Ioppolo, JA; Giboureau, N; Bhadbhade, M; Morrison, DE; 68. Ho, J; Zwicker, VE; Yuen, KKY and Jolliffe, KA. Quantum Kassiou, M and Rendina, LM. Efficient radiosynthesis chemical prediction of equilibrium acidities of ureas, of a [18F]-phosphonium salt containing closo-carborane. deltamides, squaramides, and croconamides. The Tetrahedron Letters, 58 (46), 4367-4371, 2017. Journal of Organic Chemistry, 82 (19), 10732-10736, 79. Jenkins, M; Bokosmaty, R; Brown, M; Browne, C; Gao, 2017. Q; Hanson, J and Kupatadze, K. Enhancing the design 69. Hook, KJ; Hommelsheim, R; Mertens, Ho, J; Nguyen, and analysis of flipped learning strtegies. Teaching & TV and Koenigs, RM. Corey-chaykovsky reactions of Learning Inquiry, 5 (1), Open Access, 2017. nitro styrenes enable cis-configured trifluoromethyl 80. Jiang, Q; Garcia, A; Han, M; Cornelius, F; Apell, H-J; cyclopropanes. The Journal of Organic Chemistry, 82 Khandelia, H and Clarke, RJ. Electrostatic stabilization (15), 8220-8227, 2017. plays a central role in autoinhibitory regulation of the 70. Hossain, MA; Canning, J; Cook, K; Ast, S and Jamalipour, Na+,K+-ATPase. Biophysical Journal, 112 (2), 288-299, A. Photo- and thermal degradation of olive oil measured 2017. using an optical fibre smartphone spectrofluorimeter. 81. Jiang, HJ; Imberti, S; Atkin, R and Warr, GG. Proceedings of SPIE, 10323, 2017. Dichotomous well-defined nanostructure with 71. Hossain, MA; Canning, J; Yu, Z; Ast, S; Rutledge, PJ; weakly arranged ion packing explains the solvency Wong, JK-H; Jamalipour, A and Crossley, MJ. Time- of pyrrolidinium acetate. The Journal of Physical resolved and temperature tuneable measurements of Chemistry B, 121 (27), 6610-6617, 2017. 42 PUBLICATIONS

82. Jin, L; Nairn, KM; Ling, CD; Zhu, H; O’Dell, LA; Avdeev, M. Spin-orbit coupling controlled ground

Li, J; Chen, F; Pavan, AF; Madsen, LA; Howlett, state in the Ir(V) perovskites A2ScIrO6 (A = Ba or Sr). PC; MacFarlane, DR; Forsyth, M and Pringle, JM. Inorganic Chemistry, 56 (4), 2204-2209, 2017. Conformational dynamics in an organic ionic plastic 94. Kayser, P; Injac, S; Kennedy, BJ; Menezes de crystal. The Journal of Physical Chemistry B, 121 (21), Oliveira, AL; Shirako, Y and Hasegawa, M. Thermal 5439-5446, 2017. expansion in BaRuO3 perovskites - an unusual case 83. Jolliffe, KA. Supramolecular chemistry: defined. A of bond strengthening at high temperatures. Dalton personal perspective. Supramolecular Chemistry, 29 Transactions, 46 (9), 2974-2980, 2017. (9), 668-669, 2017. 95. Kayser, P; Injac, S and Kennedy, BJ. Structural and 84. Jolliffe, KA. Pyrophosphate recognition and sensing in magnetic properties of the osmium double perovskites

water using bis[zinc(II)dipicolylamino]-functionalized Ba2-xSrxYOsO6. Inorganic Chemistry, 56 (11), 6565-6575, peptides. Accounts of Chemical Research, 50 (9), 2017. 2254-2263, 2017. 96. Kayser, P; Injac, S; Ranjbar, B and Kennedy, BJ. 85. Jowett, LA; Howe, ENW; Soto-Cerrato, V; Rossom, WV; Magnetic and structural studies of Sc containing

Pérez-Tomás, R and Gale, PA. Indole-based perenosins ruthenate double perovskites A2ScRuO6 (A = Ba, Sr). as highly potent HCl transporters and potential anti- Inorganic Chemistry, 56 (15), 9009-9018, 2017. cancer agents. Scientific Reports, 7 (1), 9397, 2017. 97. Kennedy, BJ. How many tricks can an old perovskite 86. Kafi, AKM; Yusoff, MM; Choucair, M and Crossley, play? International Union of Crystallography Journal, 4 MJ. A conductive crosslinked graphene/cytochrome c (3), 204-205, 2017. networks for the electrochemical and biosensing study. 98. Kennedy, BJ; Zhou, Q; Zhao, S; Jia, F; Ren, W and Journal of Solid State Electrochemistry, 21 (10), 2761- Knight, KS. Low-temperature structure and the 2767, 2017. ferroelectric phase transitions in the CdTiO3 perovskite. 87. Kafi, AKM; Azmi, NS; Yusoff, MM and Crossley, MJ. Physical Review B, 96 (21), 214105, 2017. Fabrication of 3-dimensional cross-linked redox enzyme/ 99. Kevin, RC; Wood, KE; Stuart, J; Mitchell, AJ; Moir, M; nanomaterials. Procedia Technology, 27, 201-202, 2017. Banister, SD; Kassiou, M and McGregor, IS. Acute 88. Kardashinsky, M; Lengkeek, N and Rendina, LM. and residual effects in adolescent rats resulting Synthesis and stability studies of Ga-67 labeled from exposure to the novel synthetic cannabinoids phosphonium salts. Journal of Labelled Compounds AB-PINACA and AB-FUBINACA. Journal of Psychopharmacology, 31 (6), 757-769, 2017. and Radiopharmaceuticals, 60 (1), 4-11, 2017. 100. King, G; Avdeev, M; Qasim, I; Zhou, Q and Kennedy, BJ. 89. Katte, TA; Reekie, TA; Werry, EL; Jorgensen, WT; Boyd, Multi-scale structural analysis of the A-site and oxygen R; Wong, ECN; Gulliver, DW; Connor, M and Kassiou, M. deficient perovskite Sr Mo O . Dalton Transactions, 46 Investigation of pyrazolo-sulfonamides as putative small 11 4 23 (37), 12466-12473, 2017. molecule oxytocin receptor agonists. European Journal of Medicinal Chemistry, 136, 330-333, 2017. 101. Kingsbury, CJ; Abrahams, BF; D’Alessandro, DM; Hudson, TA; Murase, R; Robson, R and White, KF. Role 90. Katte, TA and Kassiou, M. (Editorial) A patent review of of NEt + in orienting and locking together [M lig ]2- (6,3) oxytocin receptor antagonists 213-217. Expert Opinion 4 2 3 sheets (H lig = chloranilic or fluoranilic acid) to generate on Therapeutic Patents, (Online), 2017. 2 spacious channels perpendicular to the sheets. Crystal 91. Kayser, P; Ranjbar, B; Kennedy, BJ and Avdeev, M. The Growth & Design, 17 (4), 1465-1470, 2017. impact of chemical doping on the magnetic state of 102. Kobayashi, F; Ohtani, R; Teraoka, S; Kosaka, W; the Sr YRuO double perovskite. Journal of Solid State 2 6 Miyasaka, H; Zhang, Y; Lindoy, LF; Hayami, S and Chemistry, 249, 154-159, 2017. Nakamura, M. Syntheses, structures and magnetic 92. Kayser, P; Alonso, JA; Muñoz, A and Fernándrz-Díaz, properties of tetranuclear cubane-type and MT; Structural and magnetic characterization of the heptanuclear wheel-type nickel(II) complexes with

double perovskites R2NiRuO6 (R = Pr-Er): A neutron 3-methoxysalicylic acid derivatives. Dalton Transactions, diffraction study. Acta Materialia, 126, 114-123, 2017. 46 (26), 8555-8561, 2017. 93. Kayser, P; Kennedy, BJ; Ranjbar, B; Kimpton, JA and 103. Krechkivska, O; Welsh, BA; Bacskay, GB; Nauta, K; PUBLICATIONS 43

Kable, SH and Schmidt, TW. First observation of the species? Chemistry: An Asian Journal, 12 (14), 1692- 3 3 Pg state of C2: Born-Oppenheimer breakdown. The 1699, 2017. Journal of Chemical Physics, 146 (13), 134306, 2017. 114. Levina, A; Crans, DC and Lay, PA. Speciation of metal 104. Kumar, J; Prakash, O; Mahakud, R; Agrawal, SK; Dixit, drugs, supplements and toxins in media and bodily fluids SK; Nakhe, SV and Canning, J. Wavelength independent controls in vitro activities. Coordination Chemistry chemical sensing using etched thermally regenerated Reviews, 352, 473-498, 2017. FBG. Sensors and Actuators B, 244, 54-60, 2017. 115. Li, C; Vaynzof, Y; Lakhwani, G; Beirne, GJ; Wang, 105. Lam, MT; FitzGerald, PA and Warr, GG. Hydrophobic J and Greenham, NC. Observation of oxygen monomer type and hydrophilic monomer ionization vacancy migration in memory devices based on ZnO modulate the lyotropic phase stability of diblock co- nanoparticles. Journal of Applied Physics, 121 (14), oligomer amphiphiles. Langmuir, 33 (4), 1013-1022, 2017. 144503, 2017. 106. Lang, M; Yu, R; Ma, Y; Zhang, W and McErlean, CSP. 116. Li, L; Craze, AR; Fanna, DJ; Brock, AJ; Clegg, JK; Extracts from cotton over the whole growing season Lindoy, LF; Aldrich-Wright, JR; Reynolds, JK and induced Orobanche cumana (sunflower broomrape) Li, F. Synthesis and characterisation of two Cu(I) germination with significant cultivar interactions. metalloligands based on tetradentate tripodal ligands. Frontiers of Agricultural Science and Engineering, 4 (2), Polyhedron, 125, 44-49, 2017. 228-236, 2017. 117. Li, X; Clatworthy, EB; Bartlett, S; Masters, AF and 107. Larnaudie, SC; Brendel, JC; Jolliffe, KA and Perrier, S. Maschmeyer, T. Structural investigation of cobalt oxide pH-responsive, amphiphilic core-shell supramolecular clusters derived from molecular cobalt cubane, trimer, polymer brushes from cyclic peptide-polymer and dimer oligomers in a phosphate electrolyte. The conjugates. ACS Macro Letters, 6 (12), 1347-1351, 2017. Journal of Physical Chemistry C, 121 (21), 11021-11026, 108. Le, M; Rathje, O; Levina, A and Lay, PA. High 2017. cytotoxicity of vanadium(IV) complexes with 118. Li, X; Masters, AF and Maschmeyer, T. Polymeric 1,10-phenanthroline and related ligands is due to carbon nitride for sola hydrogen production. Chemical decomposition in cell culture medium. Journal of Communications, 53 (54), 7438-7446, 2017. Biological Inorganic Chemistry, 22 (5), 663-672, 2017. 119. Li, L; Neville, SM; Craze, AR; Clegg, JK; Sciortino, NF; 109. Lee, J; Wen, B; Carter, EA; Combes, V; Grau, GER and Athukorala Arachchidge, KS; Mustonen, O; Marjo, CE; Lay, PA. Infrared spectroscopic characterization of McRae, CR; Kepert, CJ; Lindoy, LF; Aldrich-Wright, JR monocytic microvesicles (microparticles) released upon and Li F. Spin-state patterning in an iron(II) tripodal lipopolysaccharide stimulation. The FASEB Journal, 31 spin-corssover complex. ACS Omega, 2 (7), 3349- (7), 2817-2827, 2017. 3353, 2017. 110. Lee, J; Dupre, N; Avdeev, M and Kang, B. 120. Liu, X; Elmes, RBP and Jolliffe, KA. Synthesis of side- Understanding the cation ordering transition in high- chain modified peptides using iterative solid phase “click” voltage spinel LiNi0.5Mn1.5O4 by doping Li instead of Ni. methodology. Australian Journal Chemistry, 70 (2), Scientific Reports, 7 (1), 6728, 2017. 201-207, 2017. 111. Lee, E; Seo, S; Lee, SS and Lindoy, LF. Assembling latter 121. Longworth, M; Connor, M; Banister, SD and Kassiou, d-block heterometal coordination polymers: Synthetic M. Synthesis and pharmacological profiling of the strategies and structural outcomes. Coordination metabolites of synthetic cannabinoid drugs APICA, Chemistry Reviews, 348, 121-170, 2017. STS-135, ADB-PINACA, and 5F-ADB-PINACA. ACS 112. Leung, SSY; Parumasivam, T; Gao, FG; Carter, EA; Chemical Neuroscience, 8 (8), 1673-1680, 2017. Carrigy, NB; Vehring, R; Finlay, WH; Morales, S; Britton, 122. Longworth, M; Banister, SD; Boyd, R; Kevin, RC; Connor, WJ; Kutter, E and Chan, H-K. Effects of storage M; McGregor, IS and Kassiou, M. Pharmacology conditions on the stability of spray dried, inhalable of cumyl-carboxamide synthetic cannabinoid new bacteriophage powders. International Journal of psychoactive substances (NPS) CUMYL-BICA, CUMYL- Pharmaceutics, 521 (1-2), 141-149, 2017. PICA, CUMYL-5F-PICA, CUMYL-5F-PINACA, and their 113. Levina, A and Lay, PA. Stabilities and biological activities analogues. ACS Chemical Neuroscience, 8 (10), 2159- of vanadium drugs: What is the nature of the active 2167, 2017. 44 PUBLICATIONS

123. Lui, MY; Cattelan, L; Player, LC; Masters, AF; a new mode of reaction for non-heme iron oxidases. Perosa, A; Selva, M and Maschmeyer, T. Extractive Chemistry: A European Journal, 23 (52), 12815-12824, denitrogenation of fuel oils with ionic liquids: A 2017. systematic study. Energy and Fuels, 31 (3), 2183-2189, 133. Mitchell, NJ; Kulkarni, SS; Malins, LR; Wang, S and 2017. Payne, RJ. One-pot ligation-oxidative deselenization 124. Lui, MY; Chan, B; Yuen, AKL; Masters, AF; Montoya, at selenocystein and selenocystine. Chemistry: A A and Maschmeyer, T. Unravelling some of the key European Journal, 23 (4), 946-952, 2017. transformation in the hydrothermal liquefaction of lignin. 134. Mitchell, NJ; Sayers, J; Kulkarni, SS; Clayton, D; Goldys, ChemSusChem, 10 (10), 2140-2144, 2017. AM; Ripoll-Rozada, J; Pereira, PJB; Chan, B; Radom, 125. Madden, A; Fernandez de la Mora, J; Jain, N; Sabouri, L and Payne, RJ. Accelerated protein synthesis via H and Hawkett, B. Effect of a homogeneous magnetic one-pot ligation-deselenization chemistry. Chem, 2 (5), field on the electrospraying characteristics of sulfolane 703-715, 2017. ferrofluids. Journal of Fluid Mechanics, 833, 430-444, 135. Moir, M; Chua, SW; Reekie, T; Martin, AD; Ittner, 2017. A; Ittner, LM and Kassiou, M. Ring-opened 126. Magnusson, M; Yuen, AKL; Zhang, R; Wright, JT; Taylor, aminothienopyridazines as novel tau aggregation RB; Maschmeyer, T and de Nys, R. A comparative inhibitors. MedChemComm, 8 (6), 1275-1282, 2017. assessment of microwave assited (MAE) and convential 136. Mondal, S; Mazumdar, C; Ranganathan, R and Avdeev, solid-liquid (SLE) techniques for the extraction of M. Structural transformation in inverse-perovskite phloroglucinol from brown seaweed. Algal Research, 23, REPt3B (RE = Sm and Gd-Tm) associated with large 28-36, 2017. volume reduction. Inorganic Chemistry, 56 (14), 8446- 127. Markham, J; Liang, J; Levina, A; Mak, R; Johannessen, 8453, 2017. B; Kappen, P; Glover, CJ; Lai, B; Vogt, S and Lay, PA. 137. Moon, KH; Avdeev, M and Kim, Y-I. Crystal (Pentamethylcyclopentadienato)rhodium complexes for structure and optical property of complex perovskite delivery of the curcumin anticancer drug. European oxynitrides ALi0.2Nb0.8O2.8N0.2, ANa0.2Nb0.8O2.8N0.2, and Journal of Inorganic Chemistry, 2017 (12), 1812-1823, AMg0.2Nb0.8O2.6N0.4 (A = Sr, Ba). Journal of Solid State 2017. Chemistry, 254, 1-8, 2017. 128. Marshall, CP; Olcott-Marschall, A; Aitken, JB; Lai, B; 138. Mullaney, BR; Goux-Capes, L; Price, DJ; Chastanet, G; Vogt, S; Breuer, P; Steemans, P and Lay, PA. Imaging of Létard, J-F and Kepert, CJ. Spin crossover-induced vanadium in microfossils: A new potential biosignature. colossal positive and negative thermal expansion in a Astrobiology, 17 (11), 1069-1076, 2017. nanoporous coordination framework material. Nature 129. Mathieu, Y; Sauvanaud, L; Humphreys, L; Rowlands, Communications, 8 (1), 1053, 2017. W; Maschmeyer, T and Corma, A. Opportunities in 139. Murase, R; Abrahams, BF; D’Alessandro, DM; Davies, upgrading biomass crudes. Faraday Discussions, 197, CG; Hudson, TA; Jameson, GNL; Moubaraki, B; Murray, 389-401, 2017. KS; Robson, R and Sutton, AL. Mixed valency in a 3D 130. Mathieu, Y; Sauvanaud, L; Humphreys, L; Rowlands, semiconducting iron-fluoranilate coordination polymer. W; Maschmeyer, T and Corma, A. Production of Inorganic Chemistry, 56 (15), 9025-9035, 2017. high quality syncrude from lignocellulosic biomass. 140. Murase, R; Leong, CF and D’Alessandro, DM. Mixed ChemCatChem, 9 (9), 1574-1578, 2017. valency as a strategy for achieving charge delocalization 131. McAuley, JL; Corcilius, L; Tan, H-X; Payne, RJ; in semiconducting and conducting framework materials. McGuckin, MA and Brown, LE. The cell surface mucin Inorganic Chemistry, 56 (23), 14373-14382, 2017. MUC1 limits the severity of influenza A virus infection. 141. Murphy, MJ; Zenere, KA; Ragon, F; Southon, PD; Kepert, Mucosal Immunology, 10 (6), 1581-1593, 2017. CJ and Neville, SM. Guest programmable multistep 132. McNeill, LA; Brown, TJN; Sami, M; Clifton, IJ; Burzlaff, spin crossover in a porous 2-D Hofmann-type material. NI; Claridge, TDW; Adlington, RM; Baldwin, JE; Rutledge, Journal of the American Chemical Society, 139 (3), PJ and Schofield, CJ. Terminally truncated isopenicillin 1330-1335, 2017. N synthase generates a dithioester product: Evidence 142. Murphy, GL; Kennedy, BJ; Zhang, Z; Avdeev, M; Brand, for a thioaldehyde intermediate during catalysis and HEA; Kegler, P and Alekseev, EV. Structure and phase PUBLICATIONS 45

transition in BaThO3: A combined neutron and synchrotron X-ray diffraction study. Journal of Alloys and Compounds, 727, 1044-1049, 2017. 143. Náfrádi, B; Choucair, M and Forró, L. Electron spin dynamics of two-dimensional layered materials. Advanced Functional Materials, 27 (19), 1604040, 2017. 144. Nakaya, M; Ohtani, R; Sugimoto, K; Nakamura, M; Lindoy, LL and Hayami, S. Molecular assemblies of metal complexes via base-pairing of nucleic acids in the crystalline state. Chemistry: A European Journal, 23 (30), 7232-7237, 2017. 145. O’Brien-Brown, J; Jackson, A; Reekie, TA; Barron, ML; Werry, EL; Schiavini, P; McDonnell, M; Munoz, L; Wilkinson, S; Noll, B; Wang, S and Kassiou, M. Discovery and pharmacological evaluation of a novel series of adamantyl cyanoguanidines as

P2X7 receptor antagonists. European Journal of Medicinal Chemistry, 130, 433-439, 2017. 146. O’Connor, GD; Chan, B; Sanelli, JA; Cergol, KM; Dryza, V; Payne, RJ; Bieske, EJ; Radom, 2017 Postgraduate L and Schmidt, TW. Hydrogen-adduction to open-shell graphene fragments: spectroscopy, Teaching Fellows thermochemistry and astrochemistry. Chemical Science, 8 (2), 1186-1194, 2017.

147. Ohtani, R; Kitamura, Y; Hijikata, Y; Nakamura, M; Jordan Darcy Lindoy, LF and Hayami, S. Modulation of redox Luke Dowman potentials utilizing the flexible coordination sphere of a penta-coordinate complex in the solid state. Nabiha Elias Dalton Transactions, 46 (11), 3749-3754, 2017. Cameron Hanna 148. Ohtani, R; Tokita, T; Takaya, T; Iwata, K; Kinoshita, Gabriel Murphy M; Matsumori, N; Nakamura, M; Lindoy, LF and Hayami, S. The impact of metal complex lipids Pierre Naeyaert on viscosity and curvature of hybrid liposomes. Edward O'Neill Chemical Communications, 53 (99), 13249-13252, Julia Polt 2017. Jessica Sayers 149. O’Neill, ES; Kolanowski, JL; Bonnitcha, PD and New, EJ. A cobalt(II) complex with unique paraSHIFT Liam Scarratt responses to anions. Chemical Communications, Clara Shen 53 (25), 3571-3574, 2017. Emma Watson 150. O’Neill, ES; Kaur, A; Bishop, DP; Shishmarev, D; Julia Wind Kuchel, PW; Grieve, SM; Figtree, GA; Renfrew, AK; Bonnitcha, PD and New, EJ. Hypoxia- Eddie Zwicker responsive cobalt complexes in tumor spheroids: Laser ablation inductively coupled plasma mass spectrometry and magnetic resonance imaging studies. Inorganic Chemistry, 56 (16), 9860-9868, 46 PUBLICATIONS

2017. Daikos, O and Scherzer, T. Self-initiation of UV 151. O’Riley, HA; Levina, A; Aitken, JB and Lay, PA. Synthesis, photopolymerization reactions using tetrahalogenated reactivities and anti-cancer properties of ruthenium(II) bisphenol A (meth)acrylates. Photochemical & complexes with a thiaether macrocyclic ligand. Photobiological Sciences, 16 (5), 649-662, 2017. Inorganic Chimica Acta, 454, 128-138, 2017. 162. Pelras, T; Glass, S; Scherzer, T; Elsner, C; Schulze, A and Abel, B. Transparent low molecular weight poly(ethylene 152. O’Toole, P; Giacometti, A and Hudson, TS. Phase glycol) diacrylate-based hydrogels as film media for diagram of heteronuclear Janus dumbbells. Soft Matter, photoswitchable drugs. Polymers, 9 (12), 639, 2017. 13 (4), 803-813, 2017. 163. Perosa, A; Selva, M and Maschmeyer, T. Multiphase 153. O’Toole, P; Munao, G; Giacometti, A and Hudson, TS. hydrodechlorination of polychlorinated aromatics - Self-assembly behaviour of hetero-nuclear Janus Towards scale-up. Chemosphere, 173, 535-541, 2017. Dumbbells. Soft Matter, 13 (39), 7141-7153, 2017. 164. Pham, THN; Lengkeek, NA; Greguric, I; Kim, BJ; 154. Pakhira, S; Mazumdar, C; Ranganathan, R and Avdeev, Pellegrini, PA; Bickley, SA; Tanudji, MR; Jones, SK; M. Magnetic frustration induced large magnetocaloric Hawkett, BS and Pham, BTT. Tunable and noncytotoxic effect in the absence of long range magnetic order. PET/SPECT-MRI multimodality imaging probes using Scientific Reports, 7 (1), 7367, 2017. colloidally stable ligand-free superparamagnetic 155. Pang, SS; Wijeyewickrema, LC; Hor, L; Tan, S; iron oxide nanoparticles. International Journal of Lameignere, E; Conway, EM; Blom, AM; Mohlin, FC; Nanomedicine, 12, 899-909, 2017. Liu, X; Payne, RJ; Whisstock, JC and Pike, RN. The 165. Phillips, AJ; Taleski, D; Koplinski, CA; Getschman, AE; structural basis for complement inhibition by gigastasin, Moussouras, NA; Richard, AM; Peterson, FC; Dwinell, a protease inhibitor from the giant Amazon leech. The MB; Volkman, BF; Payne, RJ and Veldkamp, CT. CCR7 Journal of Immunology, 199 (11), 3883-3891, 2017. sulfotyrosine enhances CCL21 binding. International 156. Pankratova, N; Cuartero, M; Jowett, LA; Howe, ENW; Journal of Molecular Sciences, 18 (9), 1857, 2017. Gale, PA; Bakker, E and Crespo, GA. Fluorinated tripodal 166. Poon, CK; Tang, O; Chen, X-M; Kim, B; Hartlieb, M; receptors for potentiometric chloride detection in Pollock, CA; Hawkett, BS and Perrier, S. Fluorescent biological fluids. Biosensors and Bioelectronics, 99, labeling and biodistribution of latex nanoparticles 70-76, 2017. formed by surfactant-free RAFT emulsion 157. Parker, LJ; Bocedi, A; Ascher, DB; Aitken, JB; Harris, polymerization. Macromolecular Bioscience, 17 (10), HH; Lo Bello, M; Ricci, G; Morton, CJ and Parker, 1600366, 2017. MW. Glutathione transferase P1-1 as an arsenic drug- 167. Pramudita, JC; Rawal, A; Choucair, M; Pontiroli, D; sequestering enzyme. Protein Science, 26 (2), 317-326, Magnani, G; Gaboardi, M; Ricco, M and Sharma, N. 2017. Mechansisms of sodium insertion/extraction on the 158. Parker, BL; Burchfield, JG; Clayton, D; Geddes, TA; surface of defective graphenes. ACS Applied Materials Payne, RJ; Kiens, B; Wojtaszewski, JFP; Richter, EA and Interfaces, 9 (1), 431-438, 2017. and James, DE. Multiplexed temporal quantification of 168. Prodjosantoso, A and Kennedy, B. Synchrotron X-ray

the exercise-regulated plasma peptidome. Molecular & diffraction studies of beta-Ca2-xMxSiO4 (M = Mg and Sr). Cellular Proteomics, 16 (12), 2055-2068, 2017. Turkish Journal of Chemistry, 41 (4), 548-558, 2017. 159. Payormhorm, J; Li, X; Maschmeyer, T; Laosiripojana, 169. Quan, D; Nagalingam, G; Payne, R and Triccas, JA. N and Chuangchote, S. The study of photocatalytic New tuberculosis drug leads from naturally occurring compounds. International Journal of Infectious oxidation of benzyl alcohol with g-C3N4 under visible light: Effect of pH and salt. Materials Science Forum, Diseases, 56, 212-220, 2017. 890, 248-251, 2017. 170. Quinn, MS; Andrews, DU; Nauta, K; Jordan, MJT 160. Pelras, T; Duong, HTT; Kim, BJ; Hawkett, BS and and Kable, SH. The energy dependence of CO(v,J)

Muellner, M. A ‘grafting from’ approach to polymer produced from H2CO via the transition state, roaming, nanorods for pH-triggered intracellular drug delivery. and triple fragmentation channels. The Journal of Polymer, 112, 244-251, 2017. Chemical Physics, 147 (1), 013935, 2017. 161. Pelras, T; Knolle, W; Naumov, S; Heymann, K; 171. Ramli, M; Schmidt, PF; Di Bartolo, N and Smith, SV. PUBLICATIONS 47

Investigation into the use of a diaminodihydroxyaryl Clements, JE; Moubaraki, B; Murray, KS; Neville, SM derivative of ethylenediaminetetraacetic acid (DAHA- and Kepert, CJ. Structure and magnetic studies on a EDTA) for Cu-64 PET imaging and radioimmunotherapy. series of two-dimensional iron(II) framework materials Australian Journal of Chemistry, 70 (5), 614-622, 2017. with varying ligand characteristics. Australian Journal 172. Reekie, TA; Wilkinson, SM; Law, V; Hibbs, DE; Ong, of Chemistry, 70 (5), 623-631, 2017. JA and Kassiou, M. Rapid access to N-(indol-2-yl) 183. Ryan, P; Koh, AHW; Lohning, AE and Rudrawar, amides and N-(indol-3-yl)amides as unexplored S. Solid-phase O-glycosylation with a glucosamine pharmacophores. Organic & Biomolecular Chemistry, 15 derivative for the synthesis of a glycopeptide. (3), 576-580, 2017. Australian Journal of Chemistry, 70 (10), 1151-1157, 2017. 173. Reimers, JR; Ford, MJ; Marcuccio, SM; Ulstrup, J and 184. Safitri, A; Levina, A; Lee, J; Carter, EA and Lay, Hush, NS. Competition of van der Waals and chemical PA. Biospectroscopy for studying the influences of forces on gold-sulfur surfaces and nanoparticles. anti-diabetic metals (V, Cr, Mo, and W) to the insulin Nature Reviews. Chemistry, 1 (0017), 1-12, 2017. signaling pathway. AIP Conference Proceedings, 1823, 174. Reimers, JR; McKemmish, LK; McKenzie, RH and Hush, 020019, 2017. NS. Diabatic models with transferrable parameters for 185. Safitri, A; Levina, A and Lay, PA. Biospeciation of Cr(III) generalized chemical reactions. Journal of Physics: nutritional supplements in biological fluids. Makara Conference Series, 833, 012014, 2017. Journal of Science, 21 (2), 83-90, 2017. 175. Reimers, JR and Hush, NS. Relating transition-state 186. Sale, M; Avdeev, M; Mohamed, Z; Ling, CD and spectroscopy to standard chemical spectroscopic Barpanda, P. Magnetic structure and properties of

processes. Chemical Physics Letters, 683, 467-477, centrosymmetric twisted-melilite K2CoP2O7. Dalton 2017. Transactions, 46 (19), 6409-6416, 2017. 176. Reimers, JR and Hush, NS. The critical role of the 187. Samson, AL; Alwis, I; Maclean, JAA; Priyananda, P; transition-state cusp diameter in understanding Hawkett, B; Schoenwaelder, SM and Jackson, SP. adiabatic and non-adiabatic electron transfer. Russian Endogenous fibrinolysis facilitates clot retraction in vivo. Journal of Electrochemistry, 53 (9), 1042-1053, 2017. Blood, 130 (23), 2453-2462, 2017. 177. Renfrew, AK. Spectroscopic approaches to tracking 188. Scarratt, LRJ; Steiner, U and Neto, C. A review on metal-based drugs in cells and tissue. Chimia, 71 (3), the mechanical and thermodynamic robustness of 112-119, 2017. superhydrophobic surfaces. Advances in Colloid and 178. Reynolds, E; Avdeev, M; Thorogood, GJ; Poineau, F; Interface Science, 246, 133-152, 2017. Czerwinski, KR; Kimpton, JA; Yu, M; Kayser, P and 189. Schmetterer, C; Polt, J and Flandorfer, H. The phase

Kennedy, BJ. Structure and magnetism in Sr1-xAxTcO 3 equilibria in the Sb-Sn system - Part I: Literature review. perovskites: Importance of the A-site cation. Physical Journal of Alloys and Compounds, 728, 497-505, 2017. Review B, 95 (5), 054430, 2017. 190. Sciortino, NF; Zenere, KA; Corrigan, ME; Halder, GJ; 179. Reynolds, E; Zhang, Z; Avdeev, M; Thorogood, GJ; Chastanet, G; Létard, J-F; Kepert, CJ and Neville, Poineau, F; Czerwinski, KR; Kimpton, JA and Kennedy, SM. Four-step iron(II) spin state cascade driven by

BJ. Thermal expansion behavior in TcO2. Toward antagonistic solid state interactions. Chemical Science, breaking the Tc-Tc bond. Inorganic Chemistry, 56 (15), 8 (1), 701-707, 2017. 9219-9224, 2017. 191. Sekimoto, Y; Ohtani, R; Nakamura, M; Koinuma, M; 180. Ridings, C; Warr, GG and Andersson, GG. Surface Lindoy, LF and Hayami, S. Tuneable pressure effects in ordering in binary mixtures of protic ionic liquids. The graphene oxide layers. Scientific Reports, 7 (1), 12159, Journal of Physical Chemistry Letters, 8, 4264-4267, 2017. 2017. 192. Shaw, MF; Osborn, DL; Jordan, MJT and Kable, SH. 181. Ronceray, P and Harrowell, P. Suppression of crystalline Infrared spectra of gas-phase 1- and 2-propenol isomers. fluctuations by competing structures in a supercooled The Journal of Physical Chemistry A, 121 (19), 3679- liquid. Physical Review E, 96 (4), 042602, 2017. 3688, 2017. 182. Roxburgh, MAD; Zaiter, S; Hudson, XIB; Mullaney, BR; 193. Shudo, Y; Islam, MS; Karim, MR; Rabin, NN; Wakata, 48 PUBLICATIONS

K; Ohtani, R; Nakamura, M; Lindoy, LF and Hayami, S. 204.Tang, Y; Sena, RP; Avdeev, M; Battle, PD; Cadogan, JM; Development of an all solid state battery incorporating Hadermann, J and Hunter, EC. Magnetic properties of

graphene oxide as proton conductor. Global Challenges, the 6H perovskite Ba3Fe2TeO 9. Journal of Solid State 1 (6), 1700054, 2017. Chemistry, 253, 347-354, 2017. 194. Smith, DG; Topolnicki, IL; Zwicker, VE; Jolliffe, KA and 205.Telford, AM; Thickett, SC and Neto, C. Functional New, EJ. Fluorescent sensing arrays for cations and patterned coatings by thin polymer film dewetting. anions. Analyst, 142 (19), 3549-3563, 2017. Journal of Colloid and Interface Science, 507, 453-469, 2017. 195. Sokias, R; Werry, EL; Chua, SW; Reekie, TA; Munoz, L; Wong, ECN; Ittner, LM and Kassiou, M. Determination 206.Thompson, RE; Liu, X; Ripoll-Rozada, J; Alonso-Garcia, and reduction of translocator protein (TSPO) ligand N; Parker, BL; Pereira, PJB and Payne, RJ. Tyrosine rs6971 discrimination. MedChemComm, 8 (1), 202-210, sulfation modulates activity of tick-derived thrombin 2017. inhibitors. Nature Chemistry, 9 (9), 909-917, 2017. 196. Solomon, MB; Church, TL and D’Alessandro, DM. 207. Tran, AT; Watson, EE; Pujari, V; Conroy, T; Dowman, Perspectives on metal-organic frameworks with intrinsic LJ; Giltrap, AM; Pang, A; Wong, WR; Linington, RG; electrocatalytic activity. CrystEngComm, 19 (29), Mahapatra, S; Saunders, J; Charman, SA; West, NP; 4049-4065, 2017. Bugg, TDH; Tod, J; Dowson, CG; Roper, DI; Crick, DC; Britton, WJ and Payne, RJ. Sansanmycin natural 197. Sridharan, S; Lepelletier, F-X; Trigg, W; Banister, S; product analogues as potent and selective anti- Reekie, T; Kassiou, M; Gerhard, A; Hinz, R and Boutin, H. mycobacterials that inhibit lipid I biosynthesis. Nature Comparative evaluation of three TSPO PET radiotracers Communications, 8, 14414, 2017. in a LPS-induced model of mild neuroinflammation in rats. Molecular Imaging and Biology, 19 (1), 77-89, 2017. 208.Tsang, AS-K; Hashmi, ASK; Comba, P; Kerscher, M; Chan, B and Todd, MH. N-aryl groups are ubiquitous in 198. Stoye, A; Nagalingam, G; Britton, WJ and Payne, cross-dehydrogenative couplings because they stabilize RJ. Synthesis of norfijimycin A with activity against reactive intermediates. Chemistry: A European Journal, Mycobacterium tuberculosis. Australian Journal of 23 (39), 9313-9318, 2017. Chemistry, 70 (2), 229-232, 2017. 209. Tsutsumi, M; Islam, MS; Karim, MR; Rabin, NN; 199. Stutz, RS; Croak, BM; Proschogo, N; Banks, PB and Ohtani, R; Nakamura, M; Lindoy, LF and Hayami, McArthur, C. Olfactory and visual plant cues as drivers S. Tri-functional OER, HER and ORR electrocatalyst of selective herbivory. Oikos, 126 (2), 259-268, 2017. electrodes from in situ metal-nitrogen co-doped 200. Suma, T; Cui, J; Muellner, M; Fu, S; Tran, J; Noi, oxidized graphite rods. Bulletin of the Chemical Society KF; Ju, Y and Caruso, F. Modulated fragmentation of Japan, 90 (8), 950-954, 2017. of proapoptotic peptide nanoparticles regulates 210. Usov, PM; Simonov, AN; Bond, AM; Murphy, MJ and cytotoxicity. Journal of the American Chemical Society, D’Alessandro, DM. Untangling complex redox chemistry 139 (11), 4009-4018, 2017. in zeolitic imidazolate frameworks using Fourier 201. Sun, G; Saw, S; Douglass, I and Harrowell, P. Structural transformed alternating current voltammetry. Analytical origin of enhanced dynamics at the surface of a glassy Chemistry, 89 (19), 10181-10187, 2017. alloy. Physical Review Letters, 119 (24), 245501, 2017. 211. Usov, PM; Jiang, H; Chevreau, H; Peterson, VK; Leong, 202. Susilo, RA; Cadogan, JM; Hutchison, WD; Stewart, GA; CF and D’Alessandro, DM. Guest-host complexes of Avdeev, M and Campbell, SJ. Magnetic structure and TCNQ and TCNE with Cu3(1,3,5-benzenetricarboxylate)2. The Journal of Physical Chemistry C, 121 (47), 26330- spin reorientation of quaternary Dy2Fe2Si2C. Journal of Physics: Condensed Matter, 29 (11), 115806, 2017. 26339, 2017. 203. Takehira, H; Islam, MS; Karim, MR; Shudo, Y; Ohtani, 212. Wang, C-H; Ainsworth, CM; Champion, SD; Stewart, R; Lindoy, LF; Taniguchi, T; Osada, M and Hayami, GA; Worsdale, MC; Lancaster, T; Blundell, SJ; Brand, S. Photoreduction dependent p- and n-type HEA and Evans, JSO. Crystal structure and magnetic modulation in beta-Ce O FeSe . Physical Review semiconducting field-effect transistor properties in 2 2 2 undoped reduced graphene oxide. ChemistrySelect, 2 Materials, 1 (3), 034403, 2017. (24), 6941-6944, 2017. 213. Wang, Y; Coughlin, JM; Ma, S; Endres, CJ; Kassiou, M PUBLICATIONS 49

3 and Sawa, A. Neuroimaging of translocator protein in SH and Schmidt, TW. The e Pg state of C2: A pathway patients with systemic lupus erythematosus: a pilot to dissociation. The Journal of Chemical Physics, 147 study using [11C]DPA-713 positron emission tomography. (2), 024305, 2017. Lupus, 26 (2), 170-178, 2017. 223. Werry, EL; King, VA; Barron, ML; Banister, SD; Sokias, 214. Wang, S; Corcilius, L; Sharp, PP; Rajkovic, A; Ibba, M; R and Kassiou, M. Derivatives of the pyrazolo[1,5-a] Parker, BL and Payne, RJ. Synthesis of rhamnosylated pyrimidine acetamide DPA-713 as translocator protein arginine glycopeptides and determination of the (TSPO) ligands and pro-apoptotic agents in human glycosidic linkage in bacterial elongation factor P. glioblastoma. European Journal of Pharmaceutical Chemical Science, 8 (3), 2296-2302, 2017. Sciences, 96, 186-192, 2017. 215. Wang, H-Y; Ge, J-Y; Hua, C; Jiao, C-Q, Wu, Y; Leong, 224. Whittle, TA; Brant, WR; Hester, JR; Gu, Q and Schmid, CF; D’Alessandro, DM; Liu, T and Zuo, J-L. Photo- and S. Tailoring phase transition temperatures in perovskites electronically switchable spin-crossover iron(II) metal- via A-site vacancy generation. Dalton Transactions, 46 organic frameworks based on a tetrathiafulvalene ligand. (22), 7253-7260, 2017. Angewandte Chemie International Edition, 56 (20), 225. Wilkinson, SM; Barron, ML; O’Brien-Brown, J; Janssen, 5465-5470, 2017. B; Stokes, L; Werry, EL; Chishty, M; Skarratt, KK; 216. Wang, S; Corcilius, L; Sharp, PP and Payne, RJ. Ong, JA; Hibbs, DE; Vugts, DJ; Fuller, S; Windhorst, Synthesis of a GlcNAcylated arginine building block for AD and Kassiou, M. Pharmacological evaluation of

the solid phase synthesis of death domain glycopeptide novel bioisosteres of an adamantanyl benzamide P2X7 fragments. Bioorganic & Medicinal Chemistry, 25 (11), receptor antagonist. ACS Chemical Neuroscience, 8 2895-2900, 2017. (11), 2374-2380, 2017. 217. Wang, C-H; Kennedy, BJ; de Oliveira, ALM; Polt, J and 226. Wind, J; Kayser, P; Zhang, Z; Evans, IR and Ling, CL.

Knight, KS. The impact of anion ordering on octahedra Stability and range of the type II Bi1-xWxO1.5+1.5x solid solution. Solid State Ionics, 308, 173-180, 2017. distortion and phase transitions in SrTaO2N and

BaTaO2N. Acta Crystallographica Section B, B73 (Part 227. Wind, J; Mole, RA; Yu, D and Ling, CD. Liquid-like ionic 3), 389-398, 2017. diffusion in solid bismuth oxide revealed by coherent 218. Wang, H-Y; Cui, L; Xie, J-Z; Leong, CF; D’Alessandro, DM quasielastic neutron scattering. Chemistry of Materials, and Zuo, J-L. Functional coordination polymers based 29 (17), 7408-7415, 2017. on redox-active tetrathiafulvalence and its deriviatives. 228. Wind, J; Polt, J; Zhang, Z; Blom, DA; Vogt, T; Withers, RL Coordination Chemistry Reviews, 345, 342-361, 2017. and Ling, CD. Rational design of a commensurate (3 + 219. Wang, X; Sanchez, J; Stone, MJ and Payne, RJ. 3)-D modulated structure within the fast-ion conducting Sulfation of the human cytomegalovirus protein stabilized delta-Bi2O3 series. Chemistry of Materials, 29 UL22A enhances binding to the chemokine RANTES. (21), 9171-9181, 2017. Angewandte Chemie International Edition, 56 (29), 229. Wong, JK-H; Todd, MH and Rutledge, PJ. (Review) 8490-8494, 2017. Recent advances in macrocyclic fluorescent probes for 220. Wedding, JL; Harris, HH; Bader, CA; Plush, SE; Mak, ion sensing. Molecules, 22 (2), 1-28, 2017. R; Massi, M; Brooks, DA; Lai, B; Vogt, S; Werrett, MV; 230. Wong, JK-H; Proschogo, N; Todd, MH and Rutledge, PJ. Simpson, PV; Skilton, BW and Stagni, S. Intracellular Selective displacement of a scorpionand triazole ligand distribution and stability of a luminescent rhenium(I) from metallocyclam complexes visualised with NMR tricarbonyl tetrazolato complex using epifluorescence spectroscopy. European Journal of Inorganic Chemistry, microscopy in conjunction with X-ray fluorescence 2017 (7), 1075-1086, 2017. imaging. Metallomics, 9 (4), 382-390, 2017. 231. Wong, ECN; Reekie, TA; Werry, EL; O’Brien-Brown, J; 221. Wei, H-W; Wang, X-M; Kuang, X-J; Wang, C-H; Jiao, Bowyer, SL and Kassiou, M. Pharmacological evaluation H and Jing, X-P. The structure, anion order, and Ce3+ of a novel series of urea, thiourea and guanidine

luminescence of Y4Al2O9-Y 4Si2O7N2 solid solutions. derivatives as P2X7 receptor antagonists. Bioorganic & Journal of Materials Chemistry C, 5 (19), 4654-4660, Medicinal Chemistry Letters, 27 (11), 2439-2442, 2017. 2017. 232. Wright, PJ; Kolanowski, JL; Filipek, WK; Lim, Z; Moore, 222. Welsh, BA; Krechkivska, O; Nauta, K; Bacskay, GB; Kable, EG; Stagni, S; New, EJ and Massi, M. Versatility of 50 PUBLICATIONS

terpyridine-functionalised aryl tetrazoles: Photophysical targeted fluorescent redox sensors. Interface Focus, 7 properties, ratiometric sensing of zinc cations and (2), 20160105, 2017. sensitisation of lanthanide luminescence. European 244. Yang, Y; Wu, X; Busschaert, N; Furuta, H and Gale, PA. Journal of Inorganic Chemistry, (44), 5260-5270, 2017. Dissecting the chloride-nitrate anion transport assay. 233. Wu, X; Chen, X-X and Jiang, Y-B. Recent advances in Chemical Communications, 53 (66), 9230-9233, 2017. boronic acid-based optical chemosensors. Analyst, 142 245. Ye, X; Chen, J; McErlean, CSP; Zhang, M; Yu, R and (9), 1403-1414, 2017. Ma Y. The potential of foxtail millet as a trap crop for 234. Wu, A; Kolanowski, JL; Boumelhem, BB; Yang, K; Lee, sunflower broomrape. Acta Physiologiae Plantarum, 39, R; Kaur, A; Fraser, ST; New, EJ and Rendina, LM. A 1-11, 2017. carborane-containing fluorophore as a stain of cellular 246. Zhao, Q; Luo, Y; Wang, W; Canning, J and Peng, G-D. lipid droplets. Chemistry: An Asian Journal, 12 (14), Enhanced broadband near-IR luminescence and gain 1704-1708, 2017. spectra of bismuth/erbium co-doped fiber by 830 and 235. Xi, Y-Y; Tang, Q; Huang, Y; Tao, Z; Xue, S-F; Zhou, Q 980 nm dual pumping. AIP Advances, 7 (4), 045012, and Wei, G. A novel fluorescent indicator displacement 2017. assay for sensing the anticancer drug gefitinib. 247. Zheng, W; Benkessou, F; Twelkmeyer, B; Wang, S; Supramolecular Chemistry, 29 (3), 229-235, 2017. Ginman, T; Ottosson, H; Abedi-Valugerdi, M; Subirana, 236. Xie, X; Kisugi, T; Yoneyama, K; Nomura, T; Akiyama, K; MA; Zhao, Y and Hassan, M. Rapid and robust Uchida, K; Yokota, T; McErlean, CSP and Yoneyama, K. quantification ofp -xyleneselenocyanate in plasma via Methyl zealactonoate, a novel germination stimulant derivatization. Analytical Chemistry, 89 (14), 7586- for root parasitic weeds produced by maize. Journal of 7592, 2017. Pesticide Science, 42 (2), 58-61, 2017. 248. Zhou, Q; Phoa, AF; Abbassi, RH; Hoque, M; Reekie, TA; 237. Xu, D; Avdeev, M; Battle, PD and Liu, X-Q. Magnetic Font, JS; Ryan, RM; Stringer, BW; Day, BW; Johns, TG;

properties of CeMn2-xCoxGe4O12 (0 ≤ x ≤ 2) as a Munoz, L and Kassiou, M. Structural optimization and function of temperature and magnetic field. Inorganic pharmacological evaluation of inhibitors targeting dual- Chemistry, 56 (5), 2750-2762, 2017. specificity tyrosine phosphorylation-regulated kinases 238. Xu, D; Sale, M; Avdeev, M; Ling, CD and Battle, PD. (DYRK) and CDC-like kinases (CLK) in glioblastoma. Experimental and computational study of the magnetic Journal of Medicinal Chemistry, 60 (5), 2052-2070, 2017.

properties of ZrMn2-xCoxGe4O12. Dalton Transactions, 249. Zhu, L; Nguyen, D; Davey, T; Baker, M; Such, C; Hawkett, 46 (21), 6921-6933, 2017. BS and Neto, C. Mechanical properties of Ropaque 239. Xu, D; Avdeev, M; Battle, PD; Cadogan, JM and Lamont, hollow nanoparticles. Polymer, 131, 10-16, 2017. H. Structural chemistry and magnetic properties of

LnMnFeGe4O12 (Ln = Y, Eu, Lu). Journal of Solid State Chemistry, 254, 40-46, 2017. 240. Xu, J; Peng, Y; Xia, Q; Hu, J and Wu, X. Facile synthesis of porous manganese oxide/carbon composite nanowires for energy storage. New Journal of Chemistry, 41 (17), 9002-9007, 2017. 241. Xu, D; Avdeev, M; Battle, PD and Ryan, DH. Magnetic

properties of Ln2CoGe4O12 and LnBCoGe4O12 (Ln = Gd, Tb, Dy, Ho, Er; B = Sc, Lu). Dalton Transactions, 46 (45), 15778-15788, 2017. 242. Yahia, HB; Shikano, M; Avdeev, M and Belharouak, I. The novel stairs-like layered compound

CO5(OH)6(H2O)2[SO3]2. Zeitschrift für Kristallographie - Crystalline Materials, 232 (5), 349-355, 2017. 243. Yang, K; Lolanowski, JL and New, EJ. Mitochondrially GENERAL INFORMATION 51

STAFF AND STUDENTS

HEAD OF SCHOOL JOLLIFFE, Prof Kate DANON, Jonathan GALE, Prof Philip JORDAN, A/Prof Meredith DJERDJEV, Alexander DEPUTY HEAD OF SCHOOL KASSAL, Dr Ivan DUYKER, Samuel D'ALESSANDRO, A/Prof KASSIOU, Prof Michael FITZGERALD, Paul HEAD OF RESEARCH KENNEDY, Prof Brendan GAO, Nan RUTLEDGE, A/Prof. Peter KEPERT, Prof Cameron GARCIA, Alvaro HEAD OF EDUCATION LAKHWANI, Dr Girish GLENISTER, Alexandra LING, Prof Chris LAU, Dr Yu Heng HOWE, Ethan FIRST YEAR DIRECTOR LAY, (FAA) Prof Peter HUYNH, Vien The HUDSON, Dr Toby LING, A/Prof Christopher INDUSEGARAM, Sutharsiny SECOND YEAR DIRECTOR MASCHMEYER, (FAA), (FTSE) Prof JAIN, Nirmesh SCHMID, A/Prof Siggi Thomas JORGENSEN, William THIRD YEAR DIRECTOR MASTERS, A/Prof Tony KIM, Byung Juen TODD, A/Prof Mat McERLEAN, A/Prof Christopher KULKARNI, Sameer HONOURS MUELLNER, Dr Markus LE GUEN, Marion LAKHWANI, Dr Girish NETO, A/Prof Chiara LEVINA, Aviva (Honours & Graduate Diploma NEW, Dr Elizabeth LI, Xiaobo Coordinator) PAYNE, Prof Richard LIM, Zelong POSTGRADUATE STUDIES RENDINA, A/Prof Lou LIU, Yawei LING, Prof Chris RUTLEDGE, A/Prof Peter (Director of Postgraduate Studies - LUI, Yuk Yu Semester 1) SCARBOROUGH, Dr David MAK, Rachel McERLEAN, A/Prof Christopher SCHMID, A/Prof Siegbert MORAN, Damian (Deputy Director of Postgraduate TODD, A/Prof Mat NGUYEN, David Duc Ngoc Studies - Semester 2) WARR, Prof Gregory NIKOOBAKHT, Behnam WICKHAM, Dr Shelley PHAM, Thi Hanh Nguyen ACADEMIC STAFF WIDMER-COOPER, Dr Asaph PRIEST, Samuel James BAKER, Dr Rob WILLIAMSON, Dr Alice PRIYANANDA, Pramith CLARKE, A/Prof Ron RAJARATHNAM, Gobinath CROSSLEY, (FAA) Prof Max RAVIRAJ, Vanisri D’ALESSANDRO, A/Prof Deanna RESEARCH STAFF REEKIE, Tristan GALE, Prof Philip AKERFELDT. Mia RENFREW, Anna GEORGE, Dr Adrian BARTLETT, Stuart SCHNEIDER, Martin HAMBLEY, (FAA) Prof Trevor CHEN, Lu SCOTT, Michael HARROWELL, Prof Peter CLAYTON, Daniel SMITH, David HAWKETT, A/Prof Brian CLEMENTS, John Edward SPAIN, Malcolm HO, Dr Junming COOK, Kevin SUN, Gang HUDSON, Dr Toby CORCILIUS, Leo SUPRAWINATA, Matthew 52 GENERAL INFORMATION

VAN DER LAAK, Nicole LINDOY, Leonard WOODS, Anne WANG, Chun-Hai MACKIE, John WU, Lisa WARD, Antony NEVILLE, Suzanne XU, Xun Julie WRIGHT, James O'BRIEN, Richard ZHOU, Xiaoyan (JoJo) WU, Xin PAGES, Benjamin YUEN, Alexander RADFORD, Don ZHAO, Shufeng RADOM, Leo TECHNICAL AND PROFESSIONAL STAFF ZHU, Liwen REIMERS, Jeffrey RIDLEY, Damon ANTHONY VINCENT, Darin ROBINSON, Robert ARMSTRONG, Jeffery HONORARY AND RESEARCH ROWLANDS, William ASHNA, Marjan AFFILIATES SANDALA, Greg BRAYBON, Ellen AGTEN, Stijn SCHMIDT, Timothy CHENG, Yuen Yap (Dennis) ARMSTRONG, Bob SHARMA, Neeraj DE BRUYN, Hank AVDEEV, Maxim SOKOLOVA, Maria DE COURCEY, Eric BACSKAY, George STERNHELL, Sever HOOKER, Elizabeth BEATTIE, James TANG, Chunguang HURST, Jeanette BRIDGEMAN, Adam TULLOCH, John KISLOVA, Natalia CANFIELD, Peter VELC, Ana-Marija KOZANIC, Shaun CANNING, John WEI, Gang LA, Tuan Dzung CARTER, Elizabeth WILLIAMS, Alan John LEOW, Richard CAWLEY, Adam YICK, Samuel LUCK, Ian CHAN, Bun MILLER, Mary CHOUCAIR, Mohammad PISCICELLI, Carlo FORAN, Garry ADMINISTRATIVE AND FINANCE POPIOLKIEWICZ, Jarek GU, Qinfen STAFF PROSCHOGO, Nicholas HUNTER, Robert BRIGHTWELL, Erin SABOURI, Hadi HUSH, Noel CUTLER, Jody SCIORTINO, Natasha IRWIN, Michael HARDY, Jane SZCZEPINA, Cody JACOB, Rebecca O'BRIEN, Sue THOMPSON, Gemma JAMES, Julia PATSALIDES, Sophia TURNER, Peter KABLE, Scott PERERA, Shanthi TZIOUMIS, Nikki KAUR, Ravinder PLATT, Jeremy WILKINSON, Shane KEARLEY, Gordon ROSSI, Vanessa LACEY, Tony SKENE, Stuart LAMBROPOULOS, Nicholas SKONDRAS-SILVA, Dimetra LI, Feng SUPRAMANIAM, Sonia GENERAL INFORMATION 53

HONOURS & GRADUATE DIPLOMA TANG, Chenming CANFIELD, Peter STUDENTS TRINH, Natalie CATTELAN, Lisa BURKE, Eamonn WALLACE, Claire CHAN, Qian Ying Hazel CALLIS, Timothy WINDSOR, Hunter CHEN, Catherine CHISHOLM, Timothy ZHOU, Yanchen CHETCUTI, Anthony CHOI, Ka Yik CHIU, Ming DATH, Jacques CHUNG, Jonathan DERGHAM, Rania CLATWORTHY, Edwin DUELL-FERGUSON, Alisataire POSTGRADUATE TEACHING SINGH, Jasleen Daljit DUONG, Hung Phat FELLOWS D'ARCY, Jordan DUTHIE, Alexander D'ARCY, Jordan DASGUPTA, Samrat FLITCROFT, Claire DOWMAN, Dowman DIAZ, Appuhamilage Dona GERAGHTY, Kieran ELIAS, Nabiha DING, Bowen GHRAYCHE, Joy HANNA, Cameron DOHENY, Patrick GRAHAM, Conor MURPHY, Gabriel DOUGLASS, Ian HAKOBYAN, Karen NAEYAERT, Pierre DOWMAN, Luke HONG, Jun Ki O'NEILL, Edward FORD, Daniel HUANG, Shuai POLT, Julia FRANCK, Charlotte Franck JOHANSEN-LEETE, Jason SAYERS, Jessica GHIMIRIE, Bhuwan KARIS, Dimitris SCARRATT, Liam GILTRAP, Andrew KAVIANPOUR, Poya SHEN, Clara GRAHAM, Marlowe KELLY, Patrick WATSON, Emma GRAZIOTTO, Marcus LACEY, Heather WIND, Julia GROVES, Nicole LEE, Jessica ZWICKER, Eddie HALL, Andrew LI, Junwei HANNA, Cameron LIN, Jiarun HAWKINS, Paige MARFAVI, Anita HEMMING, Ellen MCRAE, MOlivia MSC AND PHD STUDENTS HUTCHINSON, Daniel MOMIN, Saeel Ismail AHMED, Ahmed INJAC, Sean POKHAREL, Anurag AKPE, Victor JIANG, Haihui SERGEANT, Genevieve AL-JUAIFARI, Zainab JOWETT, Laura SHANG, Vivian ALLISON, Morgan KALLINEN, Annukka SHERMAN, Dylan ALNAFTA, Neanne KANGA, Jehan SMITH, James AUCKETT, Josie KATTE, Timothy SOLOMON, Paul BALLESTAS BARRIENTOS, Alfonso KING, Paul STEWART, Jack BATTEN, James KORSIK, Marat STEWART, Thomas BHEBHE, Mathamsanqa LACEY, Heather 54 GENERAL INFORMATION

LESLIE, Kathryn TSE, Edwin OTHER LINDOY, Lachlan TZIOUMIS, Nikki ANSCOMB, Matthew LIU, Jiatu WANG, Zhanlong ARMSTRONG, Raymond LONGWORTH, Mitchell WATSON, Emma ARZUMAN, Laila LOY, Chee Wah WIND, Julia BATMANIAN, Laura LUU, Minh Tri WITHECOMBE, Annie BIRD, Alison MATTISON, Rebecca WOOD, Jared FARID, Umair MOIR, Michael XIA, Qingbo HAMAD, Mouna MONEGO, Debora YANG, Kylie HINDLEY, Nicholas MURASE, Ryuichi YAOURTIS, Andria HONG, Jun Ki MURPHY, Gabriel YOUSIF, Martina HOOGERVORST, Carolina NAEYAERT, Pierre YU, Hon Ching JOHNSON, Susan NORMAN, Alexander ZENERE, Katrina MARTING, Zechariah O'BRIEN-BROWN, James ZHANG, Rui ON, Kathy O'NEILL, Edward ZHOU, Qing Qing PATEL, Dharmeshkumar PELRAS, Theophile ZWICKER, Vincent PATSALIDES, Emilios PEPPOU-CHAPMAN, Samuel SAROWAR, Chowdhury POLT, Julia WANG, Siyao RAMSAY, Malcolm VISITORS WANG, Xiaoyi RATHNAYAKE, Panawala BYRNE, Nolene ROBERTSON, Amy CHAMBERS, George RODGER, Robert HARRIS, Michael SALE, Matthew LENOIR, Hannah SAYERS, Jessica MACDONALD, Ryan SCARRATT, Liam MAHON, Clare SHARMA, Ashish PASCH, Tim SHAW, Miranda RANIERI, Anna SHEN, Clara SMITH-PALMER, Truis SHEPHERD, Nicholas SOLARI, Claudia SOKIAS, Renee TRURAN, Peter STRACHAN, Jyah WISSING, Willem SWARBRICK, Bradley YOSHIMOTO, Yuya TANGVISETHPAT, Christopher TOMASI, Stefano TONDL, Elisabeth TRAN, Wendy TRAN, Daniel GENERAL INFORMATION 55

STUDENT PRIZES AND SCHOLARSHIPS

The School of Chemistry awards over $85 000 in Prizes and Scholarships each year to the best of its students. The following students were awarded prizes or scholarships for academic achievements at an awards ceremony held on 7 August 2017 based on their academic achievements in 2017 and 2018. Scholarships are awarded subject to the students satisfying conditions required for each of the individual scholarships.

Agnes Campbell Prize Nikki Tzoumous C.H. Wilson Prize for First Class Awarded to Honours and Postgraduate Xiaoyi Wang Honours in Organic Chemistry students for excellence in research in Emma Watson Awarded to a student graduating in organic chemistry. Anne Withecombe first position with First Class Honours in the area of Organic Chemistry. Honours: Kylie Yang Timothy Chisholm Timothy Callis Martina Yousif Timothy Chisholm Qingqing Zhou Claire Flitcroft Eddie (Vincent) Zwicker Charles E. Fawsitt Prize for Chemistry Joy Ghrayche Awarded for proficiency in both a Jason Johansen-Leete Arthur Hollis Memorial Prize Semester 1 and a Semester 2 Junior Chemistry unit. Jiarun Lin Awarded to the student gaining the Anita Marfavi combined highest marks in both Daniel Cheung Genevieve Sergeant Semester 1 and Semester 2 Core Intermediate Chemistry unit of study. Natalie Trinh Edna Maude Goulston Prize in Organic Maggie Tong Chemistry Michael Liu Awarded on the results of the Honours examination in the area of Organic Postgraduates: Chemistry, provided that the student is Neanne Alnafta Australia-USA Foundation Prize of sufficient merit. James Batten Awarded for outstanding improvement Timothy Chisholm Jonathan Chung in Chemistry performance between Junior and Intermediate Chemistry unit Luke Dowman of study. Frank E Dixon Scholarship in Chemistry Charlotte Franck Catherine Doherty Awarded for proficiency in both Cameron Hanna Semester 1 and Semester 2 Senior Paige Hawkins Chemistry units of study by a student Annukka Kallinen Bruce Veness Chandler Research proceeding to Honours in Chemistry. Support Scholarship in Food Chemistry Timothy Katte Stone Woo Awarded on the basis of academic Paul King excellence and outstanding research Kathryn Leslie potential to postgraduate scholars Rebecca Mattison working in the field of Food Chemistry. Linda Mitchell Claire Filtcroft Alexander Norman Joy Ghrayche Robert Rodger Marcus Graziotto Elisaabeth Tondl Paige Hawkins Wendy Tran Michael Moir Edwin Tse Philippe Nashar 56 GENERAL INFORMATION

George Harris Scholarship Inglis Hudson Scholarship for John A. Lamberton Research This scholarship is awarded annually Chemistry Scholarship to students who have completed two Awarded for proficiency in both Awarded to postgraduate students years of study towards the degree Semester 1 and Semester 2 Senior whose research areas emanate from of Doctor of Philosophy for their Chemistry units of study by a student and are inspired by the work of Dr contribution to the research and proceeding to honours in the area of John A. Lamberton. Thus leading teaching activities in the School. Organic Chemistry. to a greater understanding of the Alfonso Ballestas Barrientos Amy Bowyer relationships between chemical structure and biological activity. Maggie Corrigan Sarah Bowyer TBA Theophile Pelras Lachlan Adamson TBA TBA G.S. Caird Scholarship in Chemistry Iredale Prize TBA Three scholarships have been awarded Awarded for outstanding merit in both for proficiency in both Semester 1 and a Semester 1 and a Semester 2 Core Semester 2 Senior Chemistry units Intermediate Chemistry unit of study. Levey Scholarship No. II (Major) for of study by a student proceeding to Maggie Tong Chemistry Honours in Chemistry. Michael Liu Awarded for proficiency in both Joshua Maxwell Semester 1 and a Semester 2 Junior Chemistry unit of study by a Science, Janet Elspeth Crawford Prize in Arts or Engineering student who is Hush Prize in Theoretical Chemistry Chemistry proceeding to Intermediate Chemistry. Awarded annually on the Awarded for the most proficient Shilan Ye recommendation of the Head of the female student who has completed School of Chemistry for outstanding Chemistry Honours. performance in Senior Chemistry by a Levey Scholarship No. III for Chemistry Claire Wallace student proceeding on to an Honours Awarded for proficiency in both a year in Theoretical Chemistry. Semester 1 and a Semester 2 Junior Alexander Hawken Joan R Clark Research Scholarship Chemistry unit of study by a Science, Arts or Engineering student who is The Dr Joan R Clark Research proceeding to Intermediate Chemistry. Inglis Hudson Scholarship (Major) for Scholarships are supported by Chemistry the income from gifts by Dr Joan Zihao Qin R Clark, a distinguished mineral Awarded for proficiency in both crystallographer who was formerly Semester 1 and Semester 2 Senior on the staff of the United States R.J.W. Le Fèvre Research Travelling Chemistry units of study by a student Geological Survey. The purpose of the Scholarship proceeding to honours in the area of Scholarship is to assist a postgraduate Awarded to an outstanding female Organic Chemistry. student proceeding to a Doctorate in postgraduate student to present a Stone Woo the School of Chemistry to undertake paper or poster dealing with her Joshua Maxwell research in connection with his/her research at a major international doctoral thesis topic at a leading conference. Yi cheng Zeng university overseas for a period of not TBA less than six weeks. TBA Patrick Doheny TBA GENERAL INFORMATION 57

Le Fèvre Student Lecture Awards for pigments, polymers, corrosion, 2017 weathering, adhesion and methods of This lecture was established in manufacture). 1985 following a gift of $2 000 Sam Peppou Chapman from Emeritus Professor R.J.W. Le Fèvre and is awarded on the recommendation of the Sydney Walter Burfitt Scholarship No. 1 in University Chemical Society. Chemistry Jessica Sayers Awarded for proficiency in both Semester 1 and Semester 2 Senior Marlowe Graham Chemistry units of study by a student Haihui Joy Jiang proceeding to Honours in Chemistry. Joshua Maxwell Surface Coatings Association Australia Scholarship

Established in 2002 from matching Walter Moore Honours Scholarship contributions by the Surface Coatings Association Australia and Awarded on the basis of outstanding the University, the purpose of this academic merit to a student enrolled scholarship is to foster the further in the School of Chemistry Honours advancement of education in coating Program. fields. The student must be enrolled Keiran Gerathy in the MSc or PhD degree within the Shurui Miao School of Chemistry and working in the area of surface coatings (including Reginald Young 58 GENERAL INFORMATION

WE REMEMBER RUTH GALL (NEE LACK)

BY DR JOHN COLL (AM) DSC(1987) PHD(1969) BSC(1966)

Ruth Edna Lack was born in Pennant Hills, northwest Sydney on 8 November 1923. She passed away on 10 July 2017, at The Terraces, Varsity Lakes overlooking Bond University on the Gold Coast. She had lived a full and rewarding life of 93 years. Ruth Gall nee Lack (1923-2017)

Ruth’s father was a ‘reluctant’ decided to enlist in the Woman’s control, after which, she decided to Chartered Accountant, who Ruth Auxiliary Air Force (WAAF). She go to London where she worked at believes would have been happier as did basic training in Robertson and British Industrial Solvents. While the an engineer or mechanic. He did not Bankstown, before being assigned job was interesting, she eventually felt want her to become an Accountant. to radar operations in Bowen, North the need to return to Australia. She He involved his children in physics Queensland, after a brief stay in accepted a position at CSIRO’s Coal experiments and stirred their interest Townsville to learn the ropes. She Research Division, but found that in many other things. He was an was on duty there until the end of this did not capture her imagination. ardent tennis player, something Ruth 1944, when she was allowed to study Finally, she was encouraged by Sev emulated in later life. He loved a Science at University of Sydney under Sternhell, then at Coal Research, to challenge. Her mother played the piano the Commonwealth Reconstruction go back to University of Sydney as a and the family and friends enjoyed Training Scheme. Jan Morris, another Teaching Fellow while she pursued her singalongs around the piano, long former WAAF, joined her as students Doctorate in Organic Chemistry. Prof before TV and karaoke. After losing of Science with a lot to learn. Ruth Charles Shoppee, the world renowned about a year after a chance encounter struggled with Chemistry, managing Steroid Chemist who interviewed and with a Mark Foys’ truck as a five year a Pass at the end of the year, but appointed her, offered to supervise her old, she completed her schooling to was a Chemistry III and Chemistry studies. leaving certificate at Meriden School III Advanced student by 1947. She She had reached her destination, after in Strathfield. She was always in the attributed her transformation to a long and unusual journey. Professor top two or three at school. Meriden the wonderful lectures given by Ern Shoppee mentored his colleague School didn’t offer the girls subjects Ritchie and Frank Lions. An amazing after her PhD studies were finished, like Physics and Chemistry. achievement, considering she had no and she in return supervised many of On completion of her high school high school background in Chemistry. his students until his departure for education during the first two years Obviously Chemistry had her in its Texas. Ruth completed her PhD in of the war, she initially took a job thrall. 1961 and became a Lecturer in Organic at Phillips Electrical Co at Edgecliff. She spent two and a half years Chemistry in 1962, Senior Lecturer in During this time Japanese submarines working in Sydney at CSR Chemicals 1966, and became Sydney University’s were in Sydney Harbour, and she and Union Carbide’s predecessors first female Associate Professor in realised how real the war was. She in the Rhodes area, largely in quality Chemistry in 1970. GENERAL INFORMATION 59

After an Honours Year project under students and staff over the years. Ruth’s supervision on attempts She was elected first female Head of THE INAUGURAL RUTH GALL to convert lanosterol from wool School of Chemistry in in December MEMORIAL LECTURE wax into useful steroid precursors, 1978 by all Staff of the Chemistry Norm Hughes and I moved into Departments, and she served this ‘The Professor’s Laboratory’, next On 8 March 2018 we held the role with distinction. She once told to the office, which thereafter inaugural A/Prof. Ruth Gall Memorial me that she was waiting to see the became known as the ‘BullDog Lecture which was given by Vice Chancellor on a School matter. Lab’, after ‘Bull’ Hughes and ‘Mad Prof. Jennifer Martin from Griffith Dog’ Coll. Barry Newman and Frank His Secretary wondered if she had an University to mark International Johnston had left, and the formerly appointment, as Professor Gall had Women’s Day. Ruth was the peaceful lab was never quite the the next appointment that morning. first woman to Head the School same. Music, visitors, etc seemed She said:’ I am she!” of Chemistry at the University of normal to us, but the Professor She had received her DSc in Sydney and sadly passed away in 2017. Jennifer’s talk was entitled occasionally commented. Ruth was Organic Chemistry in 1977, the first “Me and my shadow CV” and covered always dropping in, encouraging us woman to be so honoured at the aspects of her career in the sciences to greater achievements and using University of Sydney in this field. alongside lessons learned including: natural competition between peers to She was an inspiration to female the shadow CV (dealing with great effect. Her time in the Airforce, students and staff, and although not failure, building resilience), imposter and in Industry had not been wasted. a ’bra burning’ feminist, she was a syndrome, and the volatile and She was a wonderful supervisor and female trailblazer and role model for uncertain world (the need for diverse constant source of ideas (‘Thought academic women. of something in the shower this teams). We were joined at the lecture morning’, ‘Why don’t we/you try She was the author of more than by Ruth’s family and unveiled a this…’). It was an exciting experience 70 publications and a wonderful portrait of Ruth painted by local artist working with ‘Aunt Ruth‘, as she was supervisor and inspiration to many. Dr Kate Gradwell which will hang in Lecture Theatre 3 in the School of affectionately known. Even on the Ruth married Harold Gall, and Chemistry. social level, we might have a group became Professor Gall from this dinner at her place, and it would time. She was extremely happy until become a contest to see who could Harold’s untimely passing in 1984, make the best Pavlova against Ruth’s shortly after her retirement in 1982. previous efforts. We could all make Ruth stayed in Sydney for some time Pavlova by the time we went on before beginning a slow migration Postdoctoral travel overseas. northwards. Each year she would Organic Chemistry dinners were still drive her Honda back to visit another memorable experience. friends in Sydney. She spent time in Professor Shoppee always attended, Coff’s Harbour where a number of and most thought he was pretty former students and friends visited, Professor Jennifer Martin conservative. One time Len, Gary then Kirra, Robena Heights and and other students were balancing finally Palm Beach. She was active wine glasses on top of each other to in running courses on computer use see how many they could balance. over the years, enjoyed cards and the A waiter from the University Club occasional foray into oil painting, and came and chided them, so Professor glazing ceramic objects which she Shoppee started balancing the had painted. She was a multi-talented glasses. He was left alone. He may person, who had long periods of have seemed a snob to some, but physical discomfort, perhaps arising he was always loyal to ‘His Staff’, from the childhood accident. She while still being ‘The Professor’. I moved from Palm Beach to her final have learned a great deal from my residence at the Terraces. supervisors, Professor Shoppee, and Further reading: https://bit. Dr Kate Gradwell (L) with Judy Gordon (R), Ruth especially Dr Ruth Lack. I hope that Gall's niece made me a better supervisor to my ly/2GPM1a0 60 GENERAL INFORMATION

GRADUATES OF 2017

BACHELOR OF SCIENCE (ADVANCED) WITH Ms Heather Lacey HONOURS The secondary metabolites of novel fungal species The following students had their degrees awarded in 2017:- Aspergillus nanangensis Research supervisors: Associate Professor Peter Rutledge Mr James Batten and Dr Rob Baker Nontoxic metal-cyclam complexes: Synthesis, structure and activity against mycobacterium tuberculosis Ms Kate Leslie (University Medal) Research supervisors: Associate Professors Peter Rutledge Expanding the scope of naphthalimide fluorophores and Mat Todd Research supervisors: Professor Kate Jolliffe and Associate Professor Liz New Mr Timothy Cashman Targeting prostate cancer with a Pt(IV) complex Ms Linda Mitchell Research supervisor: Professor Trevor Hambley Development and study of fluorescent probes for platinum complexes Mr Bowen Ding Research supervisors: Associate Professor Liz New and Professor Trevor Hambley Study into localised through-space inter-valence charge transfer in metal-organic frameworks Research supervisors: Associate Professor Deanna Mr Andrew Roxburgh D'Alessandro and Professor Cameron Kepert Structural and physical characterisation of perovskite related ionic conductive materials Mr Xiaofan Jiang Research supervisor: Associate Professor Chris Ling Design and synthesis of multi-armed cyclams as novel chemical probes for studying amyloid-b (Ab) aggregation Mr Matthew Roxburgh Research supervisor: Associate Professor Mat Todd Integrating multiple functions into spin crossover framework materials Ms Ayla Jones Research supervisor: Professor Cameron Kepert Light-activated polypyridyl ruthenium prodrug for tuberculosis Mr Arthur Tang Research supervisors: Associate Professor Siegbert Schmid Design and synthesis of gallinamide A analogues as potent and Professor Adam Bridgeman antimalarial drug leads Research supervisor: Professor Richard Payne Mr Phillip Karpati (University Medal) Selenium-mediated peptide ligations at proline-proline junctions BACHELOR OF SCIENCE (HONOURS) Research supervisor: Professor Richard Payne The following students had their degrees awarded in 2017:-

Mr Paul King Mr Takanori Hioki Oxa-Pictet-Spengler reaction: Mechanism and catalyst Tricyclic acetamide ligands targeting the translocator leads protein as biomarkers of neuroinflammation Research supervisor: Associate Professor Mat Todd Research supervisor: Professor Michael Kassiou GENERAL INFORMATION 61

Mr Jun Ki Hong Mr Hunter Windsor Nanoscale understanding of halogen bond driven self- Spin crossover and redox activity in tetrazine-based metal- assembled perfluorocarbon monolayers on silicon organic frameworks Research supervisor: Associate Professor Chiara Neto Research supervisors: Associate Professor Deanna D'Alessandro and Professor Cameron Kepert Mr Shuai (Gavin) Huang The Chin action formalism of Feynman's path-integral Ms Michelle Yu description of quantum mechanics Thermal diffraction studies of rhenium and technetium Research supervisor: Associate Professor Meredith Jordan compounds Research supervisor: Professor Brendan Kennedy Mr Poya Kavianpour Borinostat: A new class of boron histone deacetylase inhibitors BACHELOR OF SCIENCE (ADVANCED MATHEMATICS) WITH HONOURS Research supervisor: Professor Lou Rendina The following students had his degree awarded in 2017:-

Ms Rebecca Lee Boronic acid and carborane derivatives of cyanine dyes Mr Marcus Graziotto (University Medal) Research supervisor: Professor Lou Rendina Investigating the biological activity of platinum complexes Research supervisors: Associate Professor Liz New and Professor Trevor Hambley Ms Amy Robertson Gadolinium rhodamine complexes as mitochondrial theronostic agents BACHELOR OF SCIENCE (MEDICAL) WITH HONOURS Research supervisor: Professor Lou Rendina The following students had his degree awarded in 2017:-

Mr Jyah Strachan Mr Christopher Brown Studies of sustainable catalysis using metal nanoparticles Target-activated metal complexes for imaging the estrogen Research supervisors: Professor Thomas Maschmeyer and receptor Associate Professor Tony Masters Research supervisor: Associate Professor Peter Rutledge

Ms Claire Wallace (University Medal) Ms Angela Torrisi Magnetic circular dichroism in supramolecular complexes Design of fluorescent ratiometric redox probes for sensing Research supervisor: Dr Girish Lakhwani in biological systems Research supervisors: Associate Professor Liz New Mr Cameron Ware Fabrication and characterisation of slippery lubricant GRADUATE DIPLOMA IN SCIENCE infused polymeric wrinkled surfaces The following students had his degree awarded in 2017:- Research supervisor: Associate Professor Chiara Neto

Mr Sam Falvey Cyclic derivatives of apelinergic peptides Research supervisor: Professor Kate Jolliffe 62 GENERAL INFORMATION

Mr Dimitris Karis Dr Mingyue Kardashinsky Investigating the level of inquiry in the undergraduate Functionalised phosphonium salts for gadolinium binary chemistry laboratory in Australian universities cancer therapies Research supervisor: Associate Professor Siegbert Schmid Research supervisor: Professor Lou Rendina Auxiliary supervisor: Professor Michael Kassiou Mr Saeel Ismail Momin Synthesis of amphiphilic diblock copolymers for the self- Dr Jun Liang assembly of multifunctional drug delivery systems Synthesis, characterisation, anticancer properties and Research supervisor: Dr Markus Muellner biological speciation of rhodium(III)-dimethylsulfoxide complexes Research supervisor: Professor Peter Lay MASTER OF PHILOSOPHY (SCIENCE) Auxiliary supervisor: Dr Aviva Levina The following student had his degrees awarded in 2017:- Dr David McDonald Mr Victor Akpe Self-adjuvanting vaccine candidates for cancer and Controlled, self-assembly of silica nanoparticles into uniform tuberculosis mesostructured glass Research supervisor: Professor Richard Payne Research supervisor: Professor John Canning Auxiliary supervisor: Associate Professor Scott Byrne Auxiliary supervisor: Professor Max Crossley (School of Medical Sciences)

Dr Denissa Murphy DOCTOR OF PHILOSOPHY (SCIENCE) Structural investigation of electrodes for rechargeable alkali The following students had their degrees awarded in 2017:- ion batteries Research supervisor: Associate Professor Siegbert Schmid Dr Nabiha Elias Auxiliary supervisor: Associate Professor Chris Ling Design and synthesis of peptidic natural product analogues as anti-infective drug leads Dr Edward O'Neill Research supervisor: Professor Richard Payne Cobalt complexes as responsive MRI contrast agents Auxiliary supervisor: Associate Professor Chris McErlean Research supervisor: Associate Professor Liz New Auxiliary supervisor: Dr Paul Bonnitcha (School of Medical Dr Andrew Giltrap Sciences) Total synthesis of natural products with antimicrobial activity Dr Lei Qin Research supervisor: Professor Richard Payne Squaramide-based receptors for anion recognition Auxiliary supervisor: Associate Professor Chris McErlean Research supervisor: Professor Kate Jolliffe Auxiliary supervisor: Professor Michael Kassiou Dr Alexandra Glenister Glucose conjugation to increase the uptake of metal Dr Clara Shen complexes by cancer cells Fluorescent strategies to study the labile copper pool Research supervisor: Professor Trevor Hambley Research supervisor: Associate Professor Liz New Auxiliary supervisor: Dr Anna Renfrew Auxiliary supervisor: Professor Trevor Hambley GENERAL INFORMATION 63

Dr Julia Wind A combined experimental and computational approach to understanding and developing new solid-state ionic conductors Research supervisor: Professor Chris Ling Auxiliary supervisor: Dr Toby Hudson

Dr Qingqing Zhou Design synthesis and biological evaluation of DYRK1A inhibitors Research supervisor: Professor Michael Kassiou Auxiliary supervisor: Professor Lou Rendina 64 GENERAL INFORMATION