UCL DEPARTMENT OF CHEMISTRY

NEWSLETTER 2013

UCL Chemistry NEWSLETTER

Contents Welcome to the Newsletter 1. Introduction This has been another exciting year in the Chemistry Department. We have continued to produce excellent publications across all sections of the discipline, including new insights into the origins of life, new discriminating gas 2. Staff Highlights and News sensors, developing fundamental understanding of catalytic processes and determining the correct band alignment 3. Student Highlights and News in photocatalytic systems. The department has made a number of new academic staff appointments with two new Professors; Giuseppe Battaglia and Francesco Gervasio, who bring research into membrane structures and biological 4. Alumni Matters computational modelling over multiscales. At lecturer level Dr Hugo Bronstein and Dr Matthew Blunt have joined us to work on organic solar cells and surface analysis. We also have two Crick Fellows join the department; Jamie Christie 5. Research Highlights and Kreso Bucar who work on computational biomaterials and crystal polymorphs. We have further developed our 6. Grants and Contracts links with the Harwell Campus with the appointment of Dr David Scanlon as a lecturer, who works on computational chemistry of condensed oxide systems. 7. Talks/presentations Our grant income has grown since last year and as of 1st of July we had the largest EPSRC funded portfolio of any 8. Publications chemistry department in the country (£39M). We also have over 200 postgraduate students and 65 PDRAs working in the department. The department has expanded into the Harwell Campus site through a series of EPSRC funded 9. Staff initiatives that have been championed by Professor Richard Catlow. We now have a significant research present at the Harwell Campus; this research effort makes considerable use of the Diamond Light Source. Dr Andy Beale has started as an EPSRC Advanced Fellow based at Harwell and UCL. The department was awarded £1.5M of equipment funding from the EPSRC. This has enabled us to acquire two new powder XRD instruments, two upgrades to existing powder diffractometers, a new single crystal instrument (Cu and Mo sources), two mass spectrometers and an ATM instrument. UCL Chemistry will act as a hub university for these instruments and allow usage from local universities including IC, KCL, QMUL, KCL, Kent, Greenwich and the OU. Introduction At the time of writing the department was making the final touches to our REF submission. This has involved a large amount of administrative work.; in particular the current submission uses impact statements for the first time, which Many thanks go to Nicola Best for detail the impact of specific research work from the department during the period 2008-2013. They can be based organising this year’s newsletter and on work that was published from 1993 onward. Specific cases that will be included in our submission include Mike to Tracy Hankey at UCL Creative Abraham’s solvation equations and their use in biomedicine, Robin Clark’s work on the use of Raman microscopy Media Services for her help. in artworks and David William’s work on gas sensors. We hope this newsletter gives a Wendy Brown left UCL Chemistry to take up a Chair Position at the University of Sussex and Susan Perkin left to take flavour of the exciting chemistry and up an academic position at Oxford University. We thank both of them for their work in helping to build the department family atmosphere achieved in the and wish them both success in the future. department. It is not an exhaustive The departments’ efforts in energy conservation were recognised with a commendation from the National SET Awards. document but can provide a number Many thanks go to Professor Andrea Sella for championing this between his busy filming and teaching schedules. of contact points to the wide variety of activity that occurs in the Personal thanks to Professor Derek Tocher for acting as Departmental Tutor for the last 12 years. He stepped down department. from the role at the end of July and has been replaced by Dr Simon Banks.

Our intake has increased again this year; we will have over 140 new undergraduates on chemistry programmes start this year. This was not that much of a surprise as we had over a 30% increase in UCAS applications this year, the highest at UCL. In addition to the straight chemists there are around 130 natural sciences starting in the faculty, many of whom will do substantive parts of the chemistry course. The quality of the intake is particularly impressive with few exceptions the vast majority of the students have AAA or better. Many thanks to Dr Dewi Lewis for chemistry and Dr Jeremy Cockcroft for natural sciences for being such excellent Admissions Tutors. Jeremy steps down from the role this year; he has overseen a rapid expansion in natural sciences numbers that have more than doubled over the last four years.

By Professor Ivan Parkin ChemUCL 2013 STAFF HIGHLIGHTS AND NEWS

NEW ACADEMICS Matthew’s research centres around molecular self-assembly on surfaces. This topic has led to a broad spectrum of work ranging

Giuseppe Battaglia from fundamental physical chemistry with the thermodynamics of Giuseppe (or Beppe as most people call self-assembly through to the formation of structures with potential him), obtained his Laurea degree in Chemical technological applications such as 2D covalent-organic frameworks Engineering from the Universita degli Studi (COFs) and functional molecular networks. Recent research di Palermo in Italy in 2001. He specialised highlights include the first reported example of an entropically during his final year project for his Laurea stabilised random molecular network and the formation of light in Macromolecular Biomaterials and started responsive molecular structures constructed from azobenzene working in close collaboration with the Imperial functionalised nanoporous networks. In the future Matthew’s group Chemical Industries Strategy Technology will continue to investigate molecular self-assembly with a focus Group (ICI STG). Beppe was employed by on how the structures that it produces can be applied in areas ICI straight after his first degree and relocated to the Wilton Centre of nanotechnology such as dye-sensitized solar cells, molecular (Redcar) where he worked on projects between Colloid Science and electronics and the development of novel sensors. Particle Technology. After a year of industrial research, he relocated to Sheffield where he undertook an ICI sponsored PhD in Soft Matter Physical Chemistry under the guidance of Prof Anthony Ryan.

There, he started working on the study of water based self-assembly Hugo Bronstein particularly focusing on amphiphilic membrane enclosed structures Hugo Bronstein has joined the department as formed by synthetic polymers. Straight after his PhD (2006), he Lecturer in Organic Chemistry. He received was appointed to a fixed term lectureship within the Department his PhD at Imperial College in 2009 under of Material Science and Engineering at the University of Sheffield the supervision of Prof. Charlotte Williams where he joined the Biomaterials and Tissue Engineering Group. developing novel electrophosphorescent This allowed Beppe to translate his soft materials into biomedical polymers for use in Organic Light Emitting applications such as drug and gene delivery as well as cell engineering. Diodes (OLEDs). He then moved to the In 2009, Beppe relocated to a permanent position in the Department University of Washington to undertake of Biomedical Science, also at the University of Sheffield, where he postdoctoral research for Prof. Christine was promoted to Senior Lecturer in 2010 and to a Personal Chair in Luscombe developing catalytic initiators for conjugated polymer 2011. Beppe joined the Department of Chemistry at UCL this March synthesis. In 2010 he returned to Imperial College to work for Prof. and he’s now the Professor of Molecular Bionics leading a 17 strong Iain McCulloch synthesising novel conjugated polymers for use in group of researchers working at the interface between physical and organic solar cells (OPV) and transistors (OFETs), after which he life science. He is interested in research problems that require a was awarded a junior research fellowship in 2012. considerable understanding of biology to tackle clinical challenges via Hugo has previously been involved in the study of heavy metal the development of new physical and nanotechnological approaches. complex containing polyfluorenes, the synthesis of ultra-high The group starts identifying the tools necessary to tackle the specific mobility planar donor-acceptor copolymers and the synthesis of biological problem, they subsequently study in detail the interactions diketopyrrolopyrrole based narrow band gap polymers. between the nanostructured materials and living systems often adapting and/or developing new techniques. Finally, they translate His research interests involve the synthesis of conjugated materials these for addressing specific clinical challenges by using detailed (small molecules and polymers) for use in next generation organic pharmacological and biomedical characterisations. They approach electronics. Research efforts at UCL will involve the synthesis of this by combining fundamental science with engineering coalescing novel electron rich conjugated polymers and polymer-metal complex expertise from across disciplines such as synthetic chemistry, systems for use in organic solar cells and transistors. polymer science, soft matter physics, biophysics, cell biology, immunology, oncology, and neuroscience.

Francesco Gervasio Matthew Blunt Francesco L. Gervasio G. has joined the Chemistry Department and the Institute of Matthew Blunt obtained his MSc and PhD in Structural and Molecular Biology as Chair Physics from the University of Nottingham in of Bio-molecular Modelling. He obtained his 2007 where he worked with Prof. Philip Moriarty PhD in 2001 at the University of Firenze, Italy. on the self-organisation and physical properties He continued his research at ETH Zurich in of two-dimensional (2D) colloidal nanoparticle the group of Prof. Michele Parrinello first as networks. He continued his research at a post-doctoral research assistant and from Nottingham in the group of Prof. Peter H. 2006 as “ober-assistant”, developing methods Beton studying 2D molecular self-assembly to sample rare events in complex bio-molecular systems. In 2009 he using scanning tunnelling microscopy (STM). was appointed group leader at the Spanish National Cancer Research Following this postdoctoral position he was awarded a Marie Curie Center (CNIO), where he combined computational and experimental Intra-European Fellowship to study functional molecular networks methods to study the effect of oncogenic mutations on kinase in the group of Prof. Steven DeFeyter at KU Leuven, Belgium. In proteins and to design allosteric kinase inhibitors. November 2012 Matthew was appointed a Lecturer of Physical Chemistry at UCL.

2 UCL Chemistry NEWSLETTER STAFF HIGHLIGHTS AND NEWS

His research interests include large-scale conformational changes in implement new methodologies for atomistic modelling within the bio-molecular systems, allosteric regulation of proteins, molecular General Utilities Lattice Package (GULP) in collaboration with Profs. recognition and drug discovery. He contributed to the development of Julian Gale and Peter Battle. In 2003 Scott became the manager of the widely used Metadynamics and PT-metaD free energy algorithms. UK’s HPC Materials Chemistry Consortium and together with his Recent research highlights included the elucidation of the mode DFRL colleagues relocated to the Kathleen Lonsdale Building in of action of SSR128129E (SSR), the first allosteric inhibitor of 2006, where he became a senior member of staff in 2009 and joined Fibroblast growth factor receptors (FGFR). The research performed UCL’s Industrial Centre for Doctoral Training in Molecular Modelling with SANOFI and other academic partners has important implications & Materials Science. In 2013 Scott was appointed a Lecturer of in anti-angiogenic cancer therapy [Cancer Cell, 23, 489-501, 2013]. Physical Chemistry.

Future work of his group at UCL will explore the effect of oncogenic Scott’s research is based on computer stimulations of materials, mutations on the conformational landscape of signalling proteins, the including the atomic and electronic structure and properties of both development of computational methods to model the binding kinetics bulk and nanostructures. Key to his research is the development of small ligands and the combination of protein NMR a free energy of novel models and their implementation within software for calculations to understand the allosteric regulation of proteins. both serial and massively parallel platforms. Currently his top two most cited papers are about crystal structure predictions, each with over 140 citations. Scott has published over sixty papers, David Scanlon including five book chapters, three guest editorials and one invited David Scanlon received his BA (Mod.) in article for Angewandte Chemie; presented a similar number of Computational Chemistry in 2006 and his talks (international conferences/external seminars) and organised Ph.D. in Chemistry in January 2011 from a number of international meetings. Scott has also served and Trinity College Dublin (TCD), Ireland, where he continues to serve as an elected committee member of CCP5 (2007- worked with Professor Graeme Watson on the 2010) and the BACG (2010-), respectively. electronic structure and defect chemistry of a range of oxide materials. Following a brief postdoctoral fellowship in TCD, David was Martijn Zwijnenberg awarded a Ramsay Fellowship, and moved Martijn Zwijnenburg obtained his MSc in to the Department of Chemistry in UCL in October 2011, hosted Chemical Engineering and a PhD at the Technical by Professor Richard Catlow. In 2013, David was appointed to a University of Delft (the Netherlands), where he Lectureship in Computational, Inorganic and Materials Chemistry worked with Prof. Koos Jansen and Dr. Stefan in the Department of Chemistry at UCL, with a secondment to the Bromley on the computational chemistry of Diamond Light Source. zeolites and silica based materials. He continued his research as a Marie Curie Fellow at the then David’s research is jointly focused on utilising quantum mechanical Davy Faraday Research Laboratory of the Royal methods for the understanding and control of atomic defects in Institution in London, with Dr. Rob Bell, before semiconductor systems, and predicting and characterising novel moving to the Universitat de Barcelona in Spain to work as Juan de la materials for renewable energy applications. He has published more Cierva Fellow in the group of Prof. Francesc Illas. In December 2010 than 60 articles since 2007, including 31 from his Ph.D., and thus he returned to London as an EPSRC Career Acceleration Fellow in the far his research has garnered over 700 citations and has earned an UCL Chemistry Department, where since last summer he is also a H-index of 17. During his Ph.D. David was awarded the BOC award Lecturer in the Inorganic and Materials Chemistry section. (2009) for outstanding chemistry postgraduate in TCD, and last year received the Royal Irish Academy Young Chemist’s prize for The research of the Zwijnenburg group is rooted in the use of 2011, for ‘the most outstanding Irish Ph.D. thesis of 2011 in the computational chemistry methods to understand the photochemistry area of the chemical sciences’. Subsequently, David received an of materials. Besides fundamental work aiming to understand the Honourable Mention (runner up) in the IUPAC Young Chemist of general fate of excited states in nanostructured inorganic materials the Year competition. David is currently a member of the RSC Solid and polymers, the group works on modelling the excited state State Chemistry Group committee, and is co-founder of the Materials properties of specific materials relevant to photocatalysis. The group Design Network. is also interested in using a combination of computational and experimental spectroscopy to elucidate the atomistic structure of materials and the use of structure prediction methods to generate Scott Woodley structural models for complex materials. Scott Woodley received a BSc joint honours in Mathematics and Physics from the University of Bristol and his PhD in Physics (Condensed Matter Theory) from the University of Bath. In 1997 Scott joined Prof. Richard Catlow’s research group that was then based at the Royal Institution of Great Britain (Davy Faraday Research Laboratory: DFRL) to develop and

UCL Chemistry NEWSLETTER 3 STAFF HIGHLIGHTS AND NEWS

Staff Highlights Santa Fun Run 2013 2012 Congratulations to Professor By Nicola Best Geoff Thornton on his election to I certainly am not a runner by any a Humboldt Research Award, in stretch the imagination but on Sunday recognition of his lifetime achievements 9th December 2012, I completed a 5km in research. In addition, the awardee (3.1 miles) Santa fun run in Greenwich is invited to carry out research projects Park. As the name of the run implies, of his own choice in cooperation with participants take part in Santa costumes specialist colleagues in Germany, in to raise money for their selected charity - I order that the international scientific chose to raise money for the MS Trust. cooperation will be further promoted. We also congratulate Geoff for The MS Trust is dedicated to making receiving the Royal Society Wolfson life better for people living with multiple Research Merit Award for his work sclerosis by providing free information to everyone affected by MS and by on Energy Functional Metal Oxide supporting the health professionals who work with multiple sclerosis. MS is the Surfaces – Well done! most common disease of the central nervous system affecting young adults.

Hats off to Helen Hailes for completing It was a great day, the sun was shining and there was a real buzz in the air as the Nike Run to the Beat 2012 everyone participating started to get into costume and warm up for the start of half marathon on October 28th for the race. Not being a runner, I set myself a target of 1 hour to complete the Cancer Research UK. Helen raised race. For anybody that hasn’t been to Greenwich Park before, there is a very a magnificent £953.00 of her £400 steep hill which when at the top overlooks London giving many photographers target, and finished the race in 2 hours the perfect place to pitch up and capture some wonderful views, but no so great 23 minutes. for me trying to run up it! I managed to run the majority of the race but I certainly couldn’t run up that hill, it was a killer! Still I completed the race in 40 minutes, Matt Powner has been appointed as under my target which I was very pleased with. a Simons Foundation Investigator. I managed to raise £279.00, exceeding the sponsorship target of £100 thanks The Simons Foundation Program to the generosity of friends, family and colleagues. To give you an idea of how aims to support creative, innovative supporting the MS Trust makes a difference for people living with MS, here are research on topics including the some examples of how they spend the donations... astrophysical and planetary context of the origins of life, the development of • £2.50 one copy of an information book which can support a person newly prebiotic chemistry, the assembly of diagnosed with MS. the first cells, the advent of Darwinian evolution and the earliest signs of life • £10 provides a pack of information for someone with MS. on the young Earth. https://simonsfoundation.org • £35 provides an hour of expert support to an MS nurse, helping to improve services for their patients. Professor Robin Clark has been • £50 keeps the freephone enquiry service running for two hours. appointed a Visiting Expert on a Project to establish the Nature of • £112 for a day of the researcher’s time in a study of family relationships for the Pigments on Early Northumbrian severely disabled people with MS. Manuscripts. The Project is to coordinate with Exhibition of the • £200 runs the freephone enquiry service for a day. Lindisfarne Gospels in Durham from July to September 2013 • £250 per day for the MS Trust’s MS Nurse Specialist; who plays a crucial part in our campaign to improve the quality of services available to people with MS. The excellence of teaching in the • £675 for a health professional to attend our annual conference, which brings Department of Chemistry has been together over 300 multidisciplinary health and social care professionals who recognised again by UCL with share a commitment to improve MS care. Dr Andrew Wills receiving a ‘Experienced Academic Staff” • £890 cost of running one of our chatrooms, which give people the opportunity Provosts Teaching Award. Well done to ask questions of health professionals with expertise in the topic and to Andrew, this is very well-deserved. share experiences and problems with others in a similar situation.

Dr Kat Austen, who did a PhD here • £1,765 to fund a newly-appointed MS nurse on our week-long Development with Ben Slater and is now an editor Module. at New Scientist has joined the If you would be interested in donating money to this wonderful charity, Department and Faculty as a roving please visit http://www.mstrust.org.uk/donate-online/ after all, every little helps. honorary writer in residence.

4 UCL Chemistry NEWSLETTER STAFF HIGHLIGHTS AND NEWS

Scientists and their emotions Promotion to Reader Dr Tom Sheppard A few days ago, I got a message from a student: “Drop by the lab – there’s Organic Chemistry and Chemical something you should see.” A couple of hours later when I stopped by, Biology the student excitedly showed me a flask with a dark solution in it. “Watch this,” she said. She shone a torch at it and it lit up, a vivid bright green. “Fluorescence,” I said. “Beautiful.”

Turning the lights off in the lab and shining a UV lamp at the flask, the glow was even brighter and the excitement attracted a small crowd of students. Although not a research-changing observation, it was surprising and it sparked off excited speculation. Why would a gallium compound be fluorescent? What was the structure? How was the light being generated? Research areas of interest include: What spectrums and measurements should be recorded to understand the • Catalysis observation? • Three and Four Membered Rings • Synthetic Approaches to Medium That little buzz of excitement is a faint echo of the moment when Humphry Ring Systems Davy first electrolysed molten potash – a terrifying experiment – and was • Multicomponent Reactions rewarded with a spray of brilliant flashing droplets of potassium; Davy • Bio-orthogonal Reactions danced round the room in delight. But in that thrilling moment his mind was filled with ideas and possibilities. Dr Katherine Holt Few of us are likely to come close to a discovery on that level, yet there is Physical Chemistry and Chemical something profoundly pleasurable in discussing results and observations Physics with students and colleagues. The unexpected turns up in little ways in day- to-day research and each time a miniature brainstorming session ensues, where small adjustments are made to the research direction.

More importantly, it is in these discussions that new ideas materialise, in moments of very human interplay. And it is only when we write up our work Research areas of interest include: that we revert to the inhuman, • Scanning Electrochemical impersonal passive voice that Microscopy (SECM) creates the convenient fiction • Boron-doped Diamond that the individual is not a part Ultramicroelectrodes. of the action. But it is not how • Diamond Nanoparticles. science is done. • Redox properties of living cells and cell components. • Electrochemistry of model biological systems and biomimetic molecules. • Electrochemical aspects of future energy technologies.

Professor Andrea Sella, photographed in the chemistry department at UCL, London. Photograph: Andy Hall for the Observer

UCL Chemistry NEWSLETTER 5 STAFF HIGHLIGHTS AND NEWS

UCL in the Queen’s Birthday Honours List Professor Malcolm Grant, former President & Provost of UCL, was knighted in the Queen’s Birthday Honours for 2013 for services to higher education.

Professor Grant has a distinguished record of public service. He was awarded the CBE in 2003 for services to local government and planning law. He has held numerous public appointments, including as Chair of the Local Government Commission for England (1996–2001), Chair of the Agriculture and Environment Biotechnology Commission (2000–2005) and Chair of The Russell Group of UK research universities (2006–2009).

He is also currently a British Business Ambassador (appointed by the Prime Minister in 2008 and reappointed in 2010), and member of the Higher Education Funding Council for England (2008). He is also Chair of NHS England, the new body charged with investing the budget of the NHS to secure continuing improvements in the health of the population and the quality of healthcare.

Professor Grant has researched and published widely in areas including planning and environmental law, regulation of biotechnology, local government structures, finance and political management, central–local government relations, human rights, property and participation and environmental dispute resolution.

He retired from UCL this year following ten years of distinguished service as President & Provost. It has been a period of unprecedented changes and challenges in higher education, but also a time during which UCL has risen meteorically in global rankings and has built upon and consolidated its international reputation as a research powerhouse.

Sir Stephen Wall, Chair of UCL Council, commented on the announcement: “Malcolm’s award is brilliant news. He has done an outstanding job for UCL and been a committed and influential leader within higher education more generally. Of course, a great leader is helped by a great team. The honour is his. The pride in it is ours.”

Professor Grant said: “This great honour simply reflects the excellence of UCL and our great advances over the past decade, as a global university of talented staff and students. I’ve been immensely privileged to serve as Provost through so exciting a chapter of growth and development at an institution about which I feel so passionately.”

Lord Neuberger (centre) receiving an honorary degree in June 2010, pictured here with the Provost and Sir Stephen Wall, Chair of UCL Council. Lord Neuberger became Master of the Rolls in October 2009, the second most senior post in England and Wales.

6 UCL Chemistry NEWSLETTER STUDENT HIGHLIGHTS AND NEWS

2012- 2013 PRIZE WINNERS UNDERGRADUATE We would like to congratulate the following prize winners: DEGREES Many congratulations go to the This year we have two Ramsay Medal Winners; ATIF ELAHI for his following Undergraduate Students presentation entitled “Plasma Electrochemistry: Electron Transfer at the Solid/ who graduated with a First Class Gas Interface” and VINCENT GRAY for his presentation on ““Potassium Alkoxides: A New Mode of Reactivity”. Degree from Chemistry in 2012/13

JUTTA TOSCANO ANDREAS ISKRA UMME ALI CK Ingold Prize - For Excellence in Harry Poole Prize - For Excellence in BSc Chemistry Undergraduate Performance Physical Chemistry JOSHUA BARHAM JOE BARNETT SAPNA PONJA MSci Chemistry CK Ingold Prize - For Excellence in Ronald Gillespie Prize - For best student in Inorganic/Materials Chemistry ADRIAN BARLOW Undergraduate Performance MSci Chemistry proceeding to a Ph.D. at UCL SEAN CHIA KAROLINA BIEGAJ CK Ingold Prize - For Excellence in CALLUM WELLS MSci Chemistry Undergraduate Performance Ronald Nyholm Prize - For Excellence in Inorganic Chemistry ADAM BOXER BSc Chemistry LASZLO BERENCEI CK Ingold Prize - For Excellence in OLIVER KIRKBY CHLOE DANINO Undergraduate Performance Apley Prize BSc Chemistry - For the best abstract for a Ph.D thesis DMITRIJS JEVDOKIMOVS WEI DAI CK Ingold Prize - For Excellence in ADAM COGGINS MSci Chemistry Undergraduate Performance Badar Prize - For best student commencing a Ph.D. in Organic Chemistry LUKE DUGGAN MSci Chemistry with Mathematics ABIGAIL MOUNTAIN Tuffnell Prize (year 2) - For best Neil Sharp Prize - For Excellence in student commencing a Ph.D. in the NATHTAKRITTA DULYAKOMETH theoretical (including computational) Department of Chemistry, UCL MSci Chemistry Chemistry MICHAEL CALLINGHAM KEALAN FALLON VALERIJA KARALUKA Charles Vernon Prize MSci Chemistry Tuffnell Prize (year 1) - For the best - For Excellence in Biological Chemistry student commencing a Ph.D. in the KAYLEIGH GRUBB BSc Medicinal Chemistry Department of Chemistry, UCL JOSHUA BARHAM Franz Sondheimer Prize FELICITY GOSSAN RAQUEL FRACCARI - For Excellence in Organic Chemistry MSci Chemistry Parke Davis Prize - For Excellence in Medicinal Chemistry VANESSA GSTETTENBAUER BSc Chemistry

PATRICIA HO BSc Chemistry

ANDREAS ISKRA Publication Prize Winners 2012 MSci Chemistry Atif Elahi Paul Moody VALERIJA KARALUKA Dynamic Electrochemistry in Flame Bromomaleimide-Linked Bioconjugates MSci Chemistry Plasma Electrolyte are Cleavable in Mammalian Cells ALICE LATHAM (Supervisor: Dr. Daren Caruana) (Supervisor: Prof. Stephen Caddick) BSc Chemistry (International Programme)

Andreas Kafizas Claire Skipper ILLYA LIVITNOV Combinatorial Atmospheric Pressure Transition Metal Hydrazide-Based MSci Chemistry Chemical Vapor Deposition (cAPCVD): Hydrogen-Storage Materials: the First A route to Functional Property Optimization Atoms-In-Molecules Analysis of the ROHAN RAJIV MERCHANT (Supervisor: Prof. Ivan Parkin) Kubas Interaction BSc Chemistry (Supervisor: Prof. Nik Kaltsoyannis) ABIGAIL MOUNTAIN Ralph Leech MSci Chemistry Self-Assembled Ultra-high Aspect Ratio Silver Nanochains NAITIK PANJWANI (Supervisor: Prof. Ivan Parkin & MSci Chemical Physics Prof. Claire Carmalt)

UCL Chemistry NEWSLETTER 7 STUDENT HIGHLIGHTS AND NEWS

SAPNA PONJA MARTIN ROSILLO-LOPEZ MSci Chemistry MSc Chemical Research EngD in Molecular

SANDEEP SEHMI FAHAD SYED Modelling and MSci Chemistry with Mathematics MSc Materials for Energy and Environment Materials Simulation ELIZABETH STOKOE SIWEN WANG DAVINDER BHACHU MSci Chemistry MSc Materials for Energy and Environment The synthesis and characterisation of metal oxide thin films JAMIE TAY SITI ZAKARIA (Supervisor: Ivan P. Parkin) BSc Chemistry with Mathematics MSc Chemical Research ANDREW HARRIS BELLE TAYLOR From the mechanical properties of single MSci Chemistry cells to those of simple tissues MRes in Molecular (Supervisor: Guillaume Charras) EMILY THOMPSON MSci Chemistry Modelling and ALAN LOBO Materials Science Modelling structure direction and SAMUEL WATERS morphology control in Zeolite synthesis MSci Chemistry MOHAMMED BABER (Supervisor: Dewi W. Lewis) (Supervisor: Asterios Gavriilidis) CALLUM WELLS VLADIMIR MARTIS MSci Chemistry ROBERT DARKINS Synchrotron radiation studies of (Supervisor: Dorothy M. Duffy) multicomponent metal oxides (Supervisor: Gopinathan Sankar) ANA ESTANDARTE MSc DEGREES (Supervisor: Ian K. Robinson) ROSEMARY PAXMAN Resonant cantilever sensing: From MARIA CALLEJA model systems to applications MSc Chemical Research MARK FIELDS (Supervisor: Paul Mcmillan) (Supervisor: Bart W. Hoogenboom) MAO-JUI CHANG CHRISTOPHER PUGH MSc Materials for Energy and Environment FRUZSINA GAJDOS (Supervisor: Jochen Blumberger) End point detection in reactive ion etching (Supervisor: Arokia Nathan) KEI CHUM MSc Materials for Energy and Environment MATTHEW HALLIDAY (Supervisor: Alexander Shluger) GILLIAN WALTERS Characteristics of aerosol assisted and MANDEEP DHANOA conventional chemical vapur deposition MSc Chemical Research HAZEL KITCHING (Supervisor: Ivan P. Parkin) of metal oxide thin films on glass, with or without metal dopants RHIANNON EDWARDS (Supervisor: Ivan P. Parkin) MSc Materials for Energy and Environment NIALL LOGAN (Supervisor: Peter Mark Brett) YAO GE MSc Chemical Research NIALL MACLEAN (Supervisor: Thanh Thi Kim Nguyen) PhD DEGREES QIUYUN GUO OLUBUKOLA AFONJA MSc Materials for Energy and Environment JOE MANZI Use of zeolites to effect discrimination in (Supervisor: Ivan P. Parkin) metal oxide semiconductor gas sensors SHAOCHEN HUANG (Supervisor: Ivan P. Parkin) MSc Materials for Energy and Environment ALEXANDER O’MALLEY (Supervisor: C. Richard A. Catlow) OSMAN ASLAM MYRSINI KARAKASOGLOU Development of catalytic aza enolate MSc Materials for Energy and Environment ALICE PYNE reactions (Supervisor: Bart W. Hoogenboom) (Supervisor: Thomas D. Sheppard) PHILIP KO MSc Materials for Energy and Environment BEN ROBINSON RICHARD BRIGGS (Supervisor: Jawwad A. Darr) In situ study of polymorphism and melting OYEBOLA LAMIDI of metals and compounds under extreme MSc Materials for Energy and Environment ALI SHEHU conditions of high pressure and high (Supervisor: Zheng X. Guo) temperature ANASTASIA MANTALIDI (Supervisor: Paul Mcmillan) MSc Chemical Research ANDREW SMITH (Supervisor: Nora H. De Leeuw) JAI CHAVDA CHENG NIEN Studies towards the synthesis of MSc Materials for Energy and Environment LIYING WANG Nakadomarin A (Supervisor: Katherine B. Holt) (Supervisor: Michael J. Porter) MICHAEL POWELL MSc Chemical Research SHIHAO XIONG ERLEND DAVIDSON (Supervisor: Zhimei Du) Quantum nuclear effects on surfaces and dispersion bonded systems (Supervisor: Angelos Michaelides)

8 UCL Chemistry NEWSLETTER STUDENT HIGHLIGHTS AND NEWS

SOFIA ELOUALI SAVIO MONIZ CHAO-SHIANG YANG Continuous hydrothermal flow synthesis Growth of bismuth oxide and bismuth The pre-nucleation of aluminosilicate of semiconductor nanomaterials for water ferrite thin films via CVD zeolites: a theoretical approach splitting photochemical diodes (Supervisor: Christopher S. Blackman) (Supervisor: C. Richard A. Catlow) (Supervisor: Jawwad A. Darr) N. NAZARUDIN All the data on postgraduate taught and VALERIO FERRACCI Catalytic cracking of plastic waste using research students was provided by the Kinetic studies of gaseous halogen oxide nanoporous materials Student Data Centre in Registry, the radical reactions implicated in ozone (Supervisor: Gopinathan Sankar) Official Body responsible for maintaining depletion the records on Graduate Students. (Supervisor: David M. Rowley) ZAMAAN RAZA Proton ordering and reactivity of ice RAIMONDAS GALVELIS (Supervisor: Ben Slater) Modelling of functional hybrid organic- Student Highlights inorganic materials: from structure to FILIPPO ROTA This year we had two winners from the properties Novel approaches to medium rings, Organic Section, winning the Final Year (Supervisor: Caroline Mellot-Draznieks) enantiomerically enriched alcohols and PhD Talk Prize, they were James Sayer haloalkynes and Paul Koovits. Congratulations go ROBERT GRUAR (Supervisor: Thomas D. Sheppard) to them both. Synthesis and characterisation of nanomaterials produced using laboratory ROZIE SARIP Atif Elahi is the winner of the 2012 and pilot scale continuous hydrothermal Gold molecular clusters to nanoparticles: GSK travel award for his talk entitled flow reactors a bottom-up approach to supported “Dynamic electrochemistry in flame (Supervisor: Jawwad A. Darr) nanoparticles for heterogeneous plasma electrolyte”. catalysis KRISHNA HASSOMAL BIRJKUMAR (Supervisor: Graeme Hogarth) Computational studies of the electronic Dr Ana Jorge Sobrido in Paul structure and bonding in heavy element SANJAYAN SATHASIVAM Mcmillan’s group has been awarded compounds Single-source precursors for the aerosol the prize for “best PhD thesis” from the (Supervisor: Nikolas Kaltsoyannis) assisted chemical vapour deposition of University of Barcelona. gallium arsenide JIMMY HO (Supervisor: Claire J. Carmalt) Dr Wilden’s student Vincent Gray, Synthesis and biophysical studies of attended the RSC poster symposium cationic lipids as gene delivery vectors JAMES SAYER at Burlington House in Piccadilly where (Supervisor: Helen C. Hailes) The Synthesis of Imidazo[1,2-a]pyrazines he won the ‘participant’s prize’ for his as Inhibitors of the VirB11 ATPase poster entitled ‘Novel Sulfur Based ANDREAS KALOGIROU and their Incorporation into Bivalent Leaving Groups in Synthesis’. Development of the conjugate addition/ Compounds Nitro-Mannich reaction (Supervisor: Alethea B. Tabor) The Bake for Bumps 2013 team (Supervisor: James C. Anderson) would like to thank everyone who took CLAIRE SKIPPER part in the bake sale. We are happy IAN KIRKER The Kubas interaction in transition metal to announce that they raised £210 Computational study of covalency and based hydrogen storage materials which went to Spark, the UK based complexation in actinides using static (Supervisor: Nikolas Kaltsoyannis) charity funds medical research into and dynamic simulation and topological the understanding and treatment of density analysis ROMAN SPESYVTSEV conditions affecting babies, children and (Supervisor: Nikolas Kaltsoyannis) Experimental investigation of ultrafast mums-to-be. Huge congratulations to the internal conversion in aniline and Bake for Bumps Team. PAUL KOOVITS 1,4-diazabicyclo[2.2.2]octane (DABCO) Development of an enantioselective (Supervisor: Helen H. Fielding) Sacha Noimark Winner of the Second reductive nitro-Mannich reaction using EuChemMS Inorganic Chemistry thiourea catalysis DAVID STEADMAN Conference for her poster entitled (Supervisor: James C. Anderson) Novel routes towards antibiotics “Self-Sterilising Surfaces” using organocatalytic and biocatalytic SUJATA KUNDU approaches Paul Moody, a Wellcome Trust PhD Synthesis and optimisation of novel (Supervisor: Helen C. Hailes) student in Prof Stephen Caddick’s photo-catalytic thin films for use in photo- group, won the prize for ‘Best Oral assisted water splitting applications MATTHEW TASSELL Presentation’ at the recent ‘Early (Supervisor: Ivan P. Parkin) Computational investigations of Stage Researcher Meeting of the RSC molecular actinide chemistry Protein and Peptide Science Group at VICTORIA LEES (Supervisor: Nikolas Kaltsoyannis) Burlington House, London.’ High pressure synthesis and characterisation of layered carbon nitride MICHAEL WARD Dr Wilden’s student Vincent Gray, materials Reactions of hydrogen and oxygen attended the RSC poster symposium (Supervisor: Paul Mcmillan) atoms on interstellar grain analogues at Burlington House in Piccadilly where (Supervisor: Stephen D. Price) he won the ‘participant’s prize’ for his ATEFEH MOHAMMADI poster entitled ‘Novel Sulfur Based Design and development of tuneable KATHERINE WOODHEAD Leaving Groups in Synthesis’. cationic lipopolyplexes as vectors in High-pressure polymorphism of tantalum gene therapy nitrides and oxynitrides (Supervisor: Helen C. Hailes) (Supervisor: Paul Mcmillan)

UCL Chemistry NEWSLETTER 9 ALUMNI MATTERS

UCL Chemistry Alumni Lab Dinner You can now book and pay for your tickets on-line!!!

Friday 22 November 2013

5:00pm - 6:00pm FREE Lecture 6:00pm - 7:00pm Drinks reception 7:15pm - 9:30pm Three Course Dinner 9:30pm - 11:00pm After Dinner Drinks

Thomas Graham Lecturer: Yoshiyuki Kikuchi from the Graduate University for Advanced Studies, Kanagawa, Japan. Title: Joji Sakurai and the Development of Anglo- Japanese Relations in Chemistry, 1863-1939.

Lab Dinner Speaker: Robert Parker, Chief Executive, Royal Society of Chemistry.

Alumni and guests are invited to this years UCL Chemistry Lab Dinner which will be held on Friday 22nd November, 2013.

Before the dinner there will be a lecture at 5pm in the Chemistry Lecture Theatre, which promises to be an excellent start to the evening. The lecture will be followed by a drinks reception in the Nyholm Room which will provide a wonderful opportunity for you to network with fellow UCL alumni, current students and staff. The formal dinner itself will consist of a delicious three-course meal and accompanying drinks which will be held in the Wilkins Jeremy Bentham Room at 7.15pm.

Venue: UCL

Book now: To book your place at this year’s Lab Dinner, please go to http://chemlab.eventbrite.com

The full cost of the evening is £45 and a limited number of tickets will be charged at £35 for current postgraduate students. All Chemistry Alumni and guests welcome (includes lecture from 5.00pm, drinks at 6pm and a three- course meal with drinks from 7:00pm) Images curtesy of Michael Phillips Photography Dress code: Smart

Contact for further information: Nicola Best [email protected] +44 (0)20 7679 4637

10 UCL Chemistry NEWSLETTER ALUMNI MATTERS

In Memorandum We regret to inform you of the sad passing of two of our Alumni Members:

Professor Rob Withnall died on Monday 3 December 2012 from a heart attack. Rob Withnall was a PDRA with Professor Robin Clarke for 4 - 5 years from c. 1991-1996, researching on Raman spectroscopy of both organic and inorganic materials. This led to the publication of 13 joint papers during this period. On leaving UCL for a lectureship at the University of Greenwich he set up a very effective laboratory in Raman microscopy. He was then appointed a Professor at Brunel University, Uxbridge, later becoming Chairman of their Department of Materials Science & Engineering in the School of Engineering & Design and Wolfson Centre for Materials Processing. He staged the 21st International Conference on Raman Spectroscopy at Brunel University in 2008.

Peter Farago who died in Florida on 7 June 2013 after a long illness. He was an undergraduate and postgraduate in this Department, completing his Ph.D. in 1958 with Professsor Ron Gillespie. He was editor of the Journal of the Chemical and Physical Society, and married a fellow student, Margaret Baldwin. After working in industry for a few years he went to the RSC and was editor of Chemistry in Britain, the precursor of Chemistry World, from 1966 until 1990. When he retired he set up a publishing company, Science Reviews, which publishes a number of journals and are producing the book on the ‘History of the Chemistry Department’ which Alwyn Davies and Peter Garratt have written. Peter and his wife moved to the USA in the early 2000s to be near their daughter and grandchildren. He was an excellent journalist and publisher and a shrewd businessman and had a large circle of acquaintances who will remember him as a great friend and colleague.

UCL’s 187th Birthday The Deed of Settlement by which UCL was founded – under our original (and rightful) name as the University of London – was signed 187 years ago on 11 February 1826. The members of our first Council were appointed the same day. A prospectus of the courses to be offered was published in May 1826, followed by a list of the professorships that were to be established. The Gower Street site, in those days a rubbish tip of nearly 8 acres, was bought in 1826 with philanthropic donations, and the foundation stone for the magnificent new building designed by William Wilkins was laid in April 1827. That ceremony was followed by a sumptuous dinner at the Freemasons’ Tavern (sadly later demolished) in Great Queen Street.

The new university opened for business in October 1828, although the building remained incomplete: “By August the columns of the portico had been erected, but the capitals were yet lacking, there was no pediment, and no cupola, and the steps had not been built. The extreme ends of the facade were unfinished. The last work on the dome and portico was not finished until the spring of 1829. The interior was only completed in 1838.” H Hale Bellot, University College, London 1826-1926, 75. The inaugurating lecture was given by Sir Charles Bell, professor of anatomy (after whom is named the form of facial paralysis known as Bell’s palsy). The name changed to University College London in 1836 upon the establishment of the University of London as a quasi-federal structure intended to accommodate both us and King’s College, which had been founded in 1829 by the Church of England as a religious rival to this Godless Institution of Gower Street.

It is timely to remember the principles of UCL’s foundation – to be the first university in England open to all irrespective of religion, race or class (hence the taunts of being “the Cockney College”), and in due course the first to admit women on equal terms to men. The Prospectus was ambitious: this was to be a modern university, offering new subjects and fostering interdisciplinary inquiry. Medicine, geography and modern languages were offered for the first time. There was no government subsidy so students paid tuition fees, but unlike Oxford and Cambridge were not required to live in college accommodation.

The farsightedness of our founding fathers opened a new era in the development of British higher education and the principles of non-discrimination and intellectual inquiry for which they stood, though hugely controversial in their time, are today the foundation stones of any institution fit to call itself a university.

UCL Chemistry NEWSLETTER 11 ALUMNI MATTERS

Alexander Williamson and the Japanese Connection

Chemists will be familiar with Alexander Williamson’s contribution to chemistry in discovering the Williamson reaction and thereby elucidating the structures of simple organic molecules. Few, however, will be aware of his major contribution to society by playing a leading role in enabling Japan to convert from an isolated, industrially backward, country into an open one which could become part of the industrial revolution. It is a remarkable story, and one which deserves to be better known.

In the middle of the nineteenth century Japan had lived under the Edo regime since 1603. It was a closed feudal society, where it was a crime to read foreign literature and a capital offence to travel abroad.

Some enlightened Japanese were aware that an industrial revolution was taking place in Europe and if Japan was to keep up with the west, militarily and economically, it had to learn western technology, economics, and governance, and become a more open society. In 1863 the Jardine Matheson trading company smuggled five young Samurai students of the Chosu clan, Bunta Inoue (later Marquis Kaoru Inoue), Shunsuke Ito (later Prince Hirubumi Ito), Yasuke Nomura (later Viscount Masaru Inoue), Yozo Yamao (later Viscount Yozo Yamao), and Kinsuke Endo, disguised as British sailors, down to Yokohama and onto a ship bound for Shanghai. Here they were split into two groups, Nomura, Yamao, and Endo boarding the Adder, and Inoue and Ito working their passage on the Pegasus, bound for England.

But how do you deal with five young Japanese Buddhists, speaking little or no English, and completely unfamiliar with western ways, who want, in two or three years, to learn enough about 1860s England to be able to go back and transform Japanese Society? It sounds impossible, yet this is what they did. Hugh Matheson asked the advice of Augustus Prevost who was a member of the Council of University College London, and got the inspired answer “Put them into the charge of Alexander Williamson”. UCL was the only University at that time which accepted applicants irrespective of race, religion, political opinion, or background. Williamson was dropping out of active research probably because of his physical afflictions, but he and his wife Catherine were an extremely welcoming couple. They met the students when they arrived in England. Nomura, Yamao, and Endo lived with the Williamsons and Inoue and Ito lodged nearby. They registered in Williamson’s course at University College and Catherine Williamson generally mothered them, teaching them English and enabling them to adapt to British society.

The feelings of these young men are difficult to imagine. They came from a society with a different language, religion, and culture and little or no knowledge of the outside world. It is a great credit to them and to Professor and Mrs. Williamson that the experiment was so successful.

Williamson arranged for them to visit various industries such as iron foundries, mines, railways, farms, and shipbuilding. Ito and Inoue went back to Japan in 1864 as they feared impending war in Japan, but the rest stayed on, Endo until 1866 and Nomura and Yamao until 1868. The Edo regime was overthrown in 1869 and replaced by the Meiji Restoration. After holding a number of government positions Ito became the first Prime Minister in 1885, established a cabinet system for government, and wrote the Constitution. He served three subsequent terms as Prime Minister. The other students contributed similarly to the development of Japan. Bunta Inoue held a number of ministerial posts and helped in the financial and commercial development of the country. Endo returned to Japan in 1866 and entered the customs service but suffered from bad health. Nomura became Chief Commissioner of Railways and Mines and established the Japanese railway system, and Yamao became the first Minister of Public Works and set up a system of technical education. Yamao had worked as an apprentice in Napier’s shipyard on the Clyde for two years from 1866-1868, and studied in the evenings at Anderson’s College (now Strathclyde University) in Glasgow. With experience of the deafening noise of working in the shipyard, he took sign language back to Japan for teaching to the deaf and dumb. He is said also to have introduced the Scottish Song Auld Lang Syne to Japan where it is known as Hotaru no Hikari (The Light of the Fireflies) and is sung at graduation ceremonies.

In 1865 a further fifteen students, now of the Satsuma Clan, came to Britain. They followed a similar programme and, when they returned to Japan, they occupied major positions in government and industry.

It was the policy of the new Meiji government to import western science and technology into the Japanese economy, and again through Jardine Matheson, Williamson was asked to advise on sending teachers from Britain for the Japanese Universities. Those who went included the chemists Robert William Atkinson and Edward Divers (both pupils of Williamson), the physicists William Ayton, John Perry, and James (later Sir James) Ewing, and the geologist John Milne, and they established departments in their subjects in the Japanese Universities. These teachers in turn sent their students to Britain and in a lecture in 2004 at UCL; Yoshiyuki Kikuchi said that “out of the 71 Japanese students identified as studying chemistry in Britain at this time, a majority (42) were enrolled at UCL”.

At that time, tuberculosis was rampant in England, and one of the students contracted the disease. Mrs Williamson nursed him until he died, and he was buried in a Buddhist plot in Brookwood cemetery (South London) together later, with two other Japanese students. When Alexander and Catherine Williamson died, they were also buried in Brookwood, close to their Japanese students.

The Figures show the monument to the Chosu and Satsuma students, which stands on the Terrace behind the UCL South Cloisters, and the new monument to Alexander and Catherine Williamson which was unveiled at Brookwood in July, which marked the 150th anniversary of the arrival of the Chosu Five.

12 UCL Chemistry NEWSLETTER ALUMNI MATTERS

The inscription on the Williamson Monument reads:

In Memory Of Alexander Williamson FRS 1824-1904 and his Wife Catherine Williamson 1831-1927. Devoted to learning, he rose above the prejudices of his day, above the differences of race and religion and culture. As a Professor at University College London and a dedicated teacher he responded to the bravery and the thirst for knowledge of the young men of the Choshu, Satsuma, Saga and Tosa clans and took the former into his own Department. It was they who went on to lay the foundation of modern Japan. His devoted wife shared her husband’s passion for the education of the young men who would one day be leaders in their various fields. Above all, she was a supremely compassionate woman, who welcomed the students into her own home to make friends with them and to take care of them when they fell gravely ill. Out of the silence their voices still speak to us if we but listen.

The Monument on the Terrace to the Japanese stents

The Monument in Brookwood to Alexander and Catherine Williamson

Calling all Alumni We would love to hear about your career and life since leaving UCL, with a view to possibly including your story in the next Newsletter.

If you would be willing to write a piece for the next Newsletter, please contact, Nicola Best via email: [email protected] with subject heading “Newsletter Alumni”.

UCL Chemistry NEWSLETTER 13 ALUMNI MATTERS

Chemistry now on The Octagon Show Cases Facebook and LinkedIn Norman Collie was on the staff of the Chemistry Department between 1887-1895 and 1902-1926, and was The Chemistry Department can now be found on Head of the Department from 1913 to 1926. He was a Facebook. The UCL Chemistry Public Science prolific inventor, and the new show cases in the Octagon page is the place to find out about up and coming contain three examples of his work. events, see what members are involved in as well as a great way to socialise with like minded people. One is a short video display of one of his discharge tubes The link is http://www.facebook.com/groups/uclchempubsci/ operating; this is claimed to be the first example of what was developed by others into the neon advertising sign. As well as this, the UCL Chemistry Alumni Group have set up a page on LinkedIn. Another great way to hear The second is his X-ray photograph of a needle in a about events, catch up with old colleagues and friends woman’s thumb. It was taken by Collie in February 1896, and make new connections. You can find the group at: only a few months after Röntgen had discovered the http://www.linkedin.com/groups?gid=4731540&trk=hb_side_g penetrating power of X-rays, and it is claimed to be the first use of X-rays for medical purposes.

At the beginning of the 20th century, there was a variety of proposals to account for the apparent symmetry and non- olefinic properties of the benzene molecule. Collie proposed a dynamic three-dimensional structure which underwent inversion through a planar intermediate, and which could accommodate all these other proposals. He built working wood and wire models, one of which is on display. This model was known colloquially as the Collywobble.

John Draper Medal The John William Draper Medal has been presented to the UCL CHEMISTRY Department. When UCL opened in 1828, the first Professor of Chemistry was Edward Turner. One of his students was DEPARTMENT 1826-1974 John William Draper who later emigrated to the United States and became Professor of Chemistry at New York We have completed writing this book on the department’s University. He had a distinguished career, particularly in the history from its inception in 1826 until 1974. It is now with new field of photography. He was the first to photograph the the publishers (Science Reviews) and if all goes well it moon (1840) and the Great Orion Galaxy (1880), and he is should be delivered no later than October 13 and, with luck, known as the first astrophotographer. In 1876, Draper was it might appear a little earlier. the Founding President of the American Chemical Society; this happens to be the same year as our Chemical and It will be a paper-back, about 300 pages, with full colour. It Physical Society was founded. To commemorate the 125th is not a work of historical scholarship, but we hope that it is anniversary of their founding, and as part of their National a readable and interesting account, and a useful record, of Historic Chemical Landmarks programme, the ACS struck the first century and a half of the department’s remarkable a medal carrying Draper’s image, and they have presented history. one to our department. We are aiming at a price of £12 if it is collected, but the cost of posting will have to be added for external sales.

It should be available at the Lab Dinner on November 22 at the price of £12, cash or cheque.

Further details will be given in a flyer which we hope to send to everyone on our alumnus database.

By Alwyn Davies and Peter Garratt

[email protected] [email protected]

14 UCL Chemistry NEWSLETTER ALUMNI MATTERS

E. A. (Peter) Robinson’s Journey from UCL to Semi-Retirement I arrived at UCL from Alleyn’s School in Dulwich, graduated in 1955 and was then, fortuitously, invited by Sir Christopher Ingold to work in the basement laboratory of the old Ramsay & Forster Laboratories, specifically with Ron Gillespie (his former student). The research for my Ph. D. extended Ron’s basic work on solutions in pure sulphuric acid, which later led to the invention of the first fluorosulfuric acid based superacids. In 1969, my research was recognized by the award of a University of London D.Sc. Coincidental with the ending of my graduate work; Ron resigned from his position at UCL in favour of new horizons at McMaster University in Canada. Out of the blue, he asked me to ignore convention and join him as a post-doc to help to get his new laboratory up and running. For continuation of our research, both spectroscopic and nmr samples had to be securely confined in glass and we were fortunate to obtain a Varian NMR spectrometer (for both H and F nuclei) and also, in those pre-laser days, to be able to record Raman spectra photographically on a Hilger prism spectrometer, with exposure times of a few minutes, rather than the norm then of hours or days. By good fortune, the latter was made possible by acquiring an intense “Toronto Mercury Arc Lamp”, courtesy of its inventor Harry Welsh, Head of Physics at Toronto. A regular visitor to our laboratories at McMaster at the time was George Olah, then at Dow Chemical in Sarnia, Ontario, for whom we examined many samples.

In 1961, I found a position at the University of Toronto, as the third member of its new modern inorganic chemistry group, joining two other Brits, M.W. Lister and A.D.(Bert) Allen (also a former lecturer at UCL) who discovered the first known transition metal complex with an N2 ligand. In 1965, another unexpected challenge came when I was invited to help to found a new University of Toronto satellite rural campus situated 20 miles west of the City, now known as the University of Toronto Mississauga. During its first decade, I had the privilege to serve as UTM’s first Associate Dean, second Dean, and third Principal. I was fortunate to work closely for most of this time with Bert Allen, (then Dean of Toronto’s Faculty of Arts and Science) and with Principal J. Tuzo Wilson, the eminent Geophysicist who was at the forefront of the 1957-58 Geophysical Year, and a major contributor to the revolutionary paradigm in the Earth Sciences, “Plate Tectonics”. After nearly 50 years UTM remains an integral part of the University of Toronto and contributes fully to its growing international reputation. Among many other Faculty, an outstanding chemist that I had the good fortune to find and appoint was Geoffrey Ozin, well known at UCL and for his nanotechnology research.

Starting in 1955 I have now had the good fortune to work with Professor Ron Gillespie, now for nearly 60 years, on many projects in both research and text book writing. In 1994, he persuaded me to take early retirement and work with him in refining the VSEPR model he originally developed with Sir Ronald Nyholm, which by then was on a fairly firm theoretical foundation through Ron’s collaboration with fellow McMaster colleague, Professor Richard Bader (of AIM fame). In trying to better understand bond lengths in polar molecules, we made slow progress and explored too many cul-de-sacs until we temporarily gave up the consideration of polar bonds as modified covalent bonds and postulated that very polar bonds might have something in common with ionic bonds. Could atoms in some molecules, such as, for example, in the fluorides, possibly have close-packed structures in the gas phase, as do cations and anions in crystals? Eventually, we found that we had rediscovered and improved upon ideas first proposed in the 1960’s by Lawrence Bartell*, who has long advocated that “the principal forces governing molecular structures are neither hybridization nor valence shell electron pair repulsions but, rather, the forces between geminal atoms”. We describe our model as Ligand Close Packing, LCP, which we continue to explore.

I have been living in or near to Bristol since 1998, but still visit Canada annually to visit friends and many old colleagues at the University of Toronto, to confer face-to-face with Ron Gillespie and to share many fond memories. I was 80 in January and Ron will be 89 in August. For me, chemistry remains fun.

*L. S. Bartell, Structural Chemistry, 2011, 22, 247-251.

Professor E. A. (Peter) Robinson

Figure 7. The interconverting Collywobble

UCL Chemistry NEWSLETTER 15 ALUMNI MATTERS

Donations Those UCL Alumni and friends who have supported the Mr Frank Willam Haslam - 1969 Bachelor of Science department directly help us to build on our international Mr Norman Alan Hewson - 1972 BSc Chemistry reputation for teaching and research and make a range of The Late Dr Ian C Hilton - PhD [MPhil Chemistry], 1956 BSc Chemistry exciting activity possible. Your kind contributions have a direct impact upon our students and staff and we are very grateful for Mrs Janet Hilton them. Dr J Michael Hollas - 1956 Bachelor of Science, 1959 PhD Dr Patricia Margaret Jackson - 1957 Bachelor of Science Many of the contributions we receive help to fund our awards Professor Margaret O James - 1969 Bachelor of Science and student prizes, for example our Ronald Gillespie Award for Inorganic Chemistry and The Viola Horsell legacy is being used Dr Andreas G. Kafizas - 2007 MSci Chemistry, 2011 PhD [Research to support a number of Impact Scholarships. Chemistry] Mrs Karen Susan Kershaw - 2002 Master in Science [MSci Medicinal We continue to provide an excellent education and training Chemistry] environment for undergraduate and postgraduate students in Dr Natalie Lambert - 2005 PhD [MPhil Chemistry] chemistry and all of our colleagues are developing innovative Mr Harry Lonsdale methods to inspire and instruct. It is great to know that we have your support and assistance as we work to do this. Dr Susan Christine Mangles - 2002 MSci Chemistry, 2006 PhD [Research Chemistry] We would like to thank the following UCL Alumni Donors Dr Dominic Peter Mann - 2005 PhD [Research Chemistry] for their help to date:- Mrs Ann E McKeown – 1971 BSc Biochemistry Mr Benjamin John Merrifield – 2003 MSci Chemistry Democracy’s Edge Inc The Late Dr Peter C Merriman - 1953 PhD [MPhil Chemistry] Dr Jalal Abed Alaziz Yasin Al-Hawari - 1981 PhD [MPhil Chemistry] Professor R. V. Parish - 1955 Bachelor of Science, 1958 PhD Dr Peter Geoffrey Allies - Bachelor of Science, 1965 PhD Mr John H. Parsons - 1960 BSc Chemistry Ms Jo Velta Alva – current UCL Chemistry student Mr John L. Pearson - 1953 BSc Chemistry Dr Douglas Ambrose, OBE - 1939 Bachelor of Science, 1949 PhD Mrs Susan Pamela Peters - 1980 BSc Chemistry Dr John Henry Aupers - 1965 Bachelor of Science Dr Andrew F Richards - 1961 Bachelor of Science, 1964 PhD Dr Asoka Balasuriya - 1983 PhD Mr Mervyn L Rudkins - 1957 Bachelor of Science Mr James Graham Ballantyne - 1940 Bachelor of Science Professor Agha A. Salam - 1993 PhD [MPhil Chemistry] Professor Kim Elaine Barrett - 1979 BSc Medicinal Chemistry, 1982 PhD Professor John Ernest Salmon - 1942 BSc Chemistry, 1948 PhD [MPhil Biological Chemistry] Dr Geoffrey Francis William Smith - 1957 Bachelor of Science Dr David Baxendale - 1965 PhD Dr Adam Ian Sotowicz - 1976 BSc Chemistry Mr Gary Belchem - 1993 BSc Chemistry Miss Wendy Elizabeth Spall - 1992 BSc Chemistry Dr Clive F Blakely - 1957 PhD [MPhil Chemistry] Dr David Roy Stanley -1976 BSc Chemistry Dr Adrian Bradley - 1997 PhD [MPhil Chemistry] Mr Ian Philip Steeples - 1974 BSc Chemistry Mr Andrew William Fraser Brown - 1984 BSc Chemistry Professor Thomas W Swaddle - 1958 Bachelor of Science Mr Gordon Hugh Brown - 1953 Bachelor of Science Mr Richard Howerd Unthank - 1963 BSc Chemistry The Late Dr Gabriel J Buist - 1951 BSc Chemistry, 1954 PhD [MPhil Dr Graham Walker Chemistry] Dr John Wells - 1965 Bachelor of Science Professor Erwin Buncel - 1957 PhD [BSc Chemistry] Dr John Wilby - 1953 BSc Chemistry, 1956 PhD [MPhil Chemistry] Sir Stuart Burgess CBE - 1950 BSc Chemistry, 1953 PhD [Affil Chemistry] Dr Barbara Wilson - 1962 BSc Chemistry Mr Wang Chan - 1984 Bachelor of Science Dr Michael Alan Yeomans - 1970 BSc Chemistry Squ Leader Peter Claridge - 1956 BSc Biochemistry Dr Michael Robert Young - 1972 PhD Dr Paul A Coathup - 1973 MBBS Medicine Prof Leonard Alexander Dissado - 1963 BSc Chemistry, 1966 PhD [MPhil In addition to the generous donors listed, a further 16 Chemistry] chose to make their gifts anonymously. Professor Shawn Doonan - 1962 Bachelor of Science, 1966 PhD We have made every attempt to ensure the information contained Mr Michael James Edwards - 1992 BSc Chemistry in this list is accurate and up to date. Should you have any Ms Victoria Fashakin - 2011 Affiliate (Undergrad) [Affiliate Biomolecular queries, please contact Mr James Davis from the Alumni and Sciences] Relations Department via email at [email protected] Dr Jack David Forrester - 1960 PhD [MPhil Chemistry] Dr. Loraine Foley To join your colleagues already enhancing the lives of students Mrs Hanna Friedenstein - Chandler - 1941 Affiliate (Undergrad)is a PDRA at the Department of and staff in the Chemistry Department please visit the Professor Peter J Garratt – Emeritus Staff Biochemistry, University of Cambridge. alumni pages on the Chemistry website http://www.ucl. (at UCL, c. 2000) Dr Anthony C Gilby - 1962 PhD [BSc Chemistry] ac.uk/chemistry/alumni and follow the ‘give a gift link’. Dr Robert D. Gordon - 1964 PhD [MPhil Chemistry] You can also download a gift form from the following link: Dr Maurice J C Harding - 1960 BSc Chemistry http://www.ucl.ac.uk/makeyourmark/how-to-give

16 UCL Chemistry NEWSLETTER RESEARCH HIGHLIGHTS

On the herding Revision of the rutile/anatase band of felines alignment: Towards efficient solar It was announced that a major energy harvesting investment from the Engineering and Physical Science Research Council David O. Scanlon (EPSRC) of a £13 million investment Titanium Dioxide (TiO ) is the most widely used oxide for photocatalytic applications in catalytic science. The project be 2 due to its low cost and high activity. The discovery of the photolysis of water on the centred on a physical hub on the surface of TiO in 1972 launched four decades of intensive research on the underlying Harwell campus in Oxfordshire. The 2 chemical and physical processes involved. Although the individual polymorphs of hub component of the project is TiO have received considerable attention, mixed phase samples have been shown supported by a £3.7M grant for which 2 to display much higher photoactivity. The origin of the improved performance of mixed the Principal Investigator is Professor phase TiO ,however, was never truly understood, in particular the fundamental band Richard Catlow (UCL Chemistry and 2 alignment between rutile and anatase. Faculty Dean), and it also has strong involvement from UCL Chemistry and A team of researchers from the Department of Chemistry in UCL, with contributions Chemical Engineering. from Bath, Trinity College Dublin and Daresbury Laboratory have attempted to understand the fundamental band alignment using a combination of theory and Catalysts speed up chemical experiment. The general consensus for the past two decades has been that the reactions making them possible on conduction band of anatase sits 0.2 eV above that of rutile, however, this alignment useful timescales. Catalysis science motif could not explain the superior photocatalytic properties of the mixed phases. is at the heart of key industrial Instead, a complicated mechanism of interfacial trapping and charge transfer was processes both current and in the put forward as one explanation, albeit within the constraints of the assumed band future and virtually all manufactured alignment model. goods at some point in their manufacture involve the use of a We have demonstrated, through a combination of state-of-the-art materials simulation catalyst. The overall theme of Prof techniques and X-ray photoemission experiments, that a type-II (staggered) band Catlow’s research is to develop how alignment of ~0.4 eV exists between anatase and rutile, with anatase possessing the catalysts work at a molecular level higher electron affinity. This decreases the effective band gap at the interface to ~2.8 and, from that knowledge, to design eV, increasing its visible light activity. Our results help to explain the robust separation new and improved catalysts. The of photo-excited charge carriers between the two phases, and it is expected that our molecular understanding of catalytic new rationalization of the anatase/rutile alignment will play a vital role in the future processes will lead to an optimisation development of improved TiO based photocatalysts. of catalytic processes that will feed 2 into the other projects. [1] D. O. Scanlon, C. W. Dunnill, J. Buckeridge, S. A. Shevlin, A. J. Logsdail, S. M. Woodley, C. R. A. Catlow, M. J. Powell, R. G. Palgrave, I. P. Parkin, G. W. Watson, The biggest challenge for the T. W. Keal, P. Sherwood, A. Walsh and A. A. Sokol, “Band alignment of rutile and investment is the ambition that it anatase TiO from theory and experiment”, Nature Materials, doi.10.1038/nmat3697 should co-ordinate the work of no 2 (2013) fewer than 30 groups of scientists across the UK. That is unlikely to be easy. We may reasonably expect that all, like cats, will be a little resistant to being co-ordinated.

Professor Richard Catlow

UCL Chemistry NEWSLETTER 17 RESEARCH HIGHLIGHTS

Departmental X-ray Diffraction News By Jeremy Cockcroft and Martin Vickers Following an EPSRC call for “Core Capability for Chemistry Research”, the Head of Department successfully bid for money to update the department’s single-crystal (SXD) and powder X-ray diffraction (PXRD) instruments. So far, two new instruments have been installed: an Agilent SuperNova SXD diffractometer with dual radiation micro-focus X-ray sources and a twin- goniometer Stoe Stadi-P transmission PXRD diffractometer on a Mo source.

The SuperNova is capable of solving structures from much smaller (100 µm) crystals. The flexibility of two radiation sources, Mo or Cu, coupled with powerful structure solution software allows crystal structures to be determined in only a few hours or less. Its micro-focus system is brighter than a rotating anode system and at 40 watts it consumes 50 times less power than a standard X-ray tube, thus dispensing with the need for roof-top chiller water.

The Agilent SuperNova in CIB room 201B Choose your target: Mo or Cu? The Stadi-P instrument has one goniometer setup for ambient high-resolution PXRD studies in capillary or foil–mounted transmission geometry, the latter already proving useful for tiny samples. The second goniometer is dedicated to high- temperature PXRD studies up to 1000°C. The Mo source is ideal for the inorganic chemist making novel materials with heavy atoms and it complements our existing Cu source instrument. Both goniometers are equipped with state-of-the-art Mythen detectors as developed for use at X-ray synchrotrons. Despite their diminutive size, the Mython detectors employed punch well above their weight with a resolution and intensity that eclipses anything we have seen here previously.

The new Mo Stoe Stadi-P in CIB room 313 Second goniometer with dedicated Stoe furnace In addition, the existing Cu source Stoe instrument, with its current low-temperature capabilities, has been updated with a 2nd goniometer equipped with a Mythen detector. This instrument is ideal for the study of organic materials such as pharmaceuticals. The setup is currently being modified to accommodate synchrotron compatible sample holders and this should be commissioned by early June.

Looking further ahead, and still to arrive, is a Bruker Vantec 500 system with a micro-focus Cu source and Eulerian cradle for micro-sampling, textural analysis, and epitaxial growth studies of 2D samples. In addition, the existing Bruker GADDS system will be upgraded for true thin-film grazing-incidence (<1° 2θ) studies with the old detector being replaced with a modern Linxeye silicon-strip detector.

18 UCL Chemistry NEWSLETTER RESEARCH HIGHLIGHTS

The electrochemistry group @ UCL

The Electrochemistry Group at UCL is lead by Dr Bio-aerosol detection Daren Caruana and Dr Katherine Holt. The group aims to be at the forefront of contemporary By measuring the open-circuit potential difference electrochemical research in both fundamental between two electrodes in a laminar flame, the Caruana studies and applied solutions to the world’s Group (Chemical Science (2012) 3, 2210) showed that a problems. measurable signal is obtained when single pollen particles are introduced into a flame. Statistical analysis shows that pollens from different species are distinguishable using this technique. As the pollen particle burns in the flame it Electrochemistry in the Gas Phase produces a plume of gaseous combustion products that interact with the electrodes. By using an aray of 8 electrode The mystique surrounding the properties of fire and flame pairs, it is also possible to extract spatial information. This has always captivated the imagination. The presence of work is now focussed on extending the range of pollens charged species in flames gives them a unique electrical studied and investigating spore particles, which are an characteristic and enables the flame to be used as an order of magnitude smaller. The ultimate aim is to create electrolyte. This allows the electrochemical control of a portable field device for bio aerosol detection. reactions at a solid surface in a flame and opens up a whole new field of chemical innovation.

The Caruana Group have demonstrated, for the first time, the ability to control redox reactions at the solid/ Material deposition in a flame gas interface. The approach uses an innovative method to perform potentio-dynamic experiments in a liquid- The group also seek to integrate electro-deposition with free electrochemical system, by considering gaseous chemical vapour deposition and plasma spray technology flame plasma as an electrolyte. The well-established to create a new technique for deposition of metal based foundations of electrochemistry in liquids are applied to coatings with control of oxidation state and morphology. the new context of flame plasma. By adding either organic Atmospheric pressure flames serve as the electrolyte or inorganic species to the flame, we are able to measure and a carrier for metallic precursors that can be oxidized current signals at specific voltages, producing a unique or reduced on the surface of a polarised substrate. We electrochemical fingerprint that gives rise to a new type of are studying the deposition of metal oxide catalysts, with spectroscopy we have dubbed Redox spectroscopy. precisely controlled redox state and morphology, for use as electrodes in fuel cells. In parallel, we are looking into See ‘Dynamic Electrochemistry in Flame Plasma the deposition of stainless steel onto low value metal Electrolyte’ Angew. Chem. Int. Ed (2012) 51, 6350. substrates, as a corrosion inhibitor.

UCL Chemistry NEWSLETTER 19 RESEARCH HIGHLIGHTS

Searching for ‘Cryptoelectons’ The phenomenon of electrostatic charging of insulating materials is well-known; a common example is the charging of hair when rubbed against a balloon. However, the mechanism by which these materials accumulate charge has been subject to extensive debate. One suggested mechanism is transfer of electrons from one surface to the other as they are rubbed together; however this leads to the question – where on the material are these electrons located? These so-called ‘cryptoelectrons’ are believed to be associated with defects, surface states and chemical functionalities on the surface. By immobilising a range of non-conducting nanoparticle materials (diamond, polystyrene, hair) onto electrodes we are able to measure their electrochemical response and hence detect and locate the ‘cryptoelectrons’. This novel methodology, developed in the Holt Group, is successful because the surface atom to bulk atom ratio of nanoparticles is large and allows us to detect the electrochemical response of the particle surface even if the bulk is insulating.

‘Reducing’ Greenhouse Gases Carbon Nanomaterials

A ‘holy grail’ of electrocatalysis is to convert the greenhouse The Holt group also has a long-standing interest in the

gas CO2 into useful chemicals using electrochemical redox properties of carbon materials, with a current focus reduction. In this project the Holt group collaborate closely on nanodiamond particles and graphene nanoflakes. We with synthetic chemists (Graeme Hogarth, Jawwad Darr) have found that redox chemistry of undoped nanodiamond and computer modellers (Nora de Leeuw) to develop and particles has originates from surface states present in test new catalysts for this reaction. the diamond band gap and act as a sink or source for electrons (j. Am. Chem. Soc. (2009) 131, 11272), We are currently investigating different sized nanodiamonds and their ability to catalyse redox reactions.

In collaboration with Dr Christoph Salzmann we are investigating the role of oxygen functionalities in the electrochemical response of graphene nanoflakes, to determine what effect such functionalities have on the electronic properties of the material. Ultimately these fundamental studies will lead to new applications of this novel material in sensing and energy storage and conversion. Our target catalysts are iron and iron-nikel sulfides as these have been proposed to play a role in the origins of life. Theory suggests that in hydrothermal vents, such minerals may have catalysed series of reactions, based

on CO2 fixation, leading to the emergence of life on

Earth. Iron-sulphides have been proven to promote CO2 reduction. However, it is still unknown precisely how the mechanism proceeds and this remains the focus of our research.

Interactions of Redox Species with Biological Systems

The Holt group are interested in properties of molecules or materials that an interact with cells. These are often molecules that enter cells and change oxidation state in response to the redox environment within the cell. Examples include copper dithiocarbamate molecules that can identify cells with a low intracellular oxygen concentration and ferrocene derivatives that can reversibly enter yeast cells and shuttle electrons between the cell and electrode. Lignosulphonates, derived from lignin from plant cell walls, have been shown to enhance electron-transfer kinetics of redox species when polymerised on an electrode, suggesting uses in biological fuel cells and in sensing. Additional information can be found at: http://www.ucl.ac.uk/chemistry/electrochemistry

20 UCL Chemistry NEWSLETTER RESEARCH HIGHLIGHTS

Au- and Pt-Nanoparticle- Van der Waals Forces Jiri Klimes and Angelos Michaelides’ perspective article Functionalized Tungsten on van der Waals forces has been featured on the cover of Journal of Chemical Physics. Their article provides an Oxide Nanoneedles overview of the current status of van der Waals forces in density functional theory. Van der Waals forces play for Selective Gas a crucial role in determining the structure and properties of biomolecules, molecular crystals and many other Microsensor Arrays systems. However, their accurate description is highly challenging, with the most widely used computational chemisty/physics technique (density functional theory), demonstrates a new gas-phase Dr Chris Blackman failing to describe them with standard approximations. method for the one-step synthesis of metal nanoparticles The “problems” with van der Waals forces in density supported on nanostructured metal oxides as a featured functional is currently one of the hottest topics in the cover article in Advanced Functional Materials. With no field with a number of very promising solutions emerging requirement for substrate pre-treatment, this provides over the last decade or so. Michaelides and Klimes’ for direct integration of the co-deposited nanomaterial article discusses, classifies, and evaluates some of the with device structures and it is utilized for the fabrication promising schemes to have recently emerged. A brief of selective gas microsensor arrays based on gold and perspective on the outstanding issues that remain to be platinum decorated tungsten oxide nanorods. resolved and some directions for future research is also provided. To read more see the on-line at http://jcp.aip.org/resource/1/jcpsa6/v137/i12/p120901_s1.

The article has also topped Journal of Chemical Physics’ most downloaded list of articles for September 2012

Chris Blackman demonstrates a new gas- Activation of Carbon phaseIce method Structures, for the one-step synthesis Patterns, of metal nanoparticlesand Processes: supported on nanostructured A View metal Dioxide over Zinc Oxide oxides as a featured cover article in Advanced FunctionalAcross Materials. the With Icefields no requirement for by Localised Electrons substrate pre-treatment, this provides for direct integrationProfessor of theStephen co-deposited D Price nanomaterial and colleagues with have devicepublished structures a review and article it is utilized regarding for the the importance fabrication of ice Carbon dioxide can be transformed from an of selectiveresearch acrossgas microsensor a range of disciplines. arrays based on gold environmental hazard to a commodity, as shown on a and platinum decorated tungsten oxide nanorods. recent ChemPhysChem article by A. A. Sokol et al. Ice is all around us. Ice or snow covers a small but The unique mechanism of activation of carbon dioxide significant part of the Earth’s surface, both land and sea, over zinc oxide is unravelled using advanced quantum and it plays a similarly important role in our atmosphere.

mechanical methods. The key process is the CO2 Moreover ice is present on many other celestial bodies in chemisorption catalysed by a highly localized electron our Solar System and it coats grains of dust in interstellar carrier trapped at a vacant oxygen interstitial surface site. space. This review grew out of a workshop in Spain, which brought together a group of researchers who are involved Read the whole publication by going to in a broad range of ice-related research. At this workshop http://onlinelibrary.wiley.com/doi/10.1002/cphc.v13.15/ the researchers found that many of the questions that issuetoc were being asked about ice, and the answers they were seeking, were strongly linked. The review focuses on the common features linking the various fields of ice research from fundamental ice structures to ice in the terrestrial cryosphere and the interstellar medium. The review places particular focus on the open questions in ice research that are broad interest across these various fields.

For more see Rev. Mod. Phys. 84, 885–944 (2012).

UCL Chemistry NEWSLETTER 21 RESEARCH HIGHLIGHTS

Honorary Doctorate, Professor Sauer

Professor Jaochim Sauer was awarded an Honorary Doctorate from UCL in September 2013. Prof Sauer has a long history of collaboration with UCL Chemistry, including work with computational chemists in the department. He was also one of the international team that assessed the department in 2009.

Prof Sauer studied chemistry from 1967 to 1972 at the Humboldt University of Berlin and was awarded a doctorate in chemistry in 1974. He continued to do research there until 1977 when he joined the Academy of Sciences, Central Institute of Physical Chemistry in Berlin; one of the leading scientific institutes of the former GDR (East Germany).

For a brief time during and after the German reunification (1990-1991) he was the Deputy Technical Director (Catalysis and Sorption) for BIOSYM Technologies, San Diego/USA (now Accelrys). He remained an advisor for BIOSYM until 2002.

In 1992 he joined the Max Planck Society as Head of the Quantum Chemistry Group in Berlin. Since 1993 he has been a full professor of Physical and Theoretical Chemistry at the Humboldt University of Berlin. He is an active research scientist in quantum chemistry and computational chemistry.

His computational studies have allowed for a better understanding of structures and activities of some catalysts, such as zeolites, and thus especially when applied to their acid sites, as well as to the interpretation of solid state NMR spectra of nucleus Si-29, and quadripolar nuclei such as Na-23, Al-27 and O-17.

Professor Sauer married Angela Merkel in 1998; herself a Dr in Physics who once worked in quantum chemistry.

From the left; Prof Parkin (HOD), Prof Catlow (Dean), Prof Sauer (Honorary Doctorate), Prof Price (VP Research) and Prof de Leeuw (Deputy HOD)

22 UCL Chemistry NEWSLETTER GRANTS AND AWARDS

AWARDS

Following the success of last year’s novel cross-discipline EPSRC will be funding a £3.3M Programme grant on competition, Dr Dewi Lewis and Aisha Rahman have “Energy Materials: Computational Solutions” The project been awarded £6000 by the UCL Outreach (Departmental involves a consortium of Bath Chemistry - Saiful Islam(PI), Initiatives), to host UCL CEPMaBC Be A Polymath 2013. Steve Parker, Aaron Walsh -UCL Chemistry - Prof Richard There will be new challenges set for the 150 participants Catlow, Prof Nora de Leeuw - and STFC Daresbury from all over London, which will combine Chemistry, Laboratory (Paul Sherwood). The Bath team are all former Engineering, Physics, Maths, Biology, Computer Science. members of UCL Chemistry and Paul Sherwood is a Visiting Fellow in the department.

Prof Zheng-Xiao Guo (UCL Chemistry) and Dr. Wenhui Dr Scott Woodley together with Dr Martijn Zwijnenburg Song (Brunel Engineering) have been awarded a network (UCL Chemistry), Roy Johnston (University of Birmingham) grant of £25k by the “UK-India Education and Research and Adam Carter (EPCC Edinburgh) have been recently Initiative” (by the British Council) to establish research awarded £767K by EPSRC to develop Knowledge Led links with Indian partners in “Exploitation of carbon Structure Prediction Methods for Nanostructures over a five nanostructure-organic supramolecular electrodes for year period. Lithium-ion batteries”

A team including Dr Ricardo Grau-Crespo (PI) and Professors Zheng-Xiao Guo, Julian Evans (UCL Prof Richard Catlow (UCL Chemistry); Prof. Umesh Chemistry), Richard Bucknall (UCL Mechanical Engineering) Waghmare in JNCASR, India; and Prof. Tim Fisher in and Nick Tyler (UCL Civil Engineering), Dr. M. Emes (UCL Purdue University, USA, was awarded £50,000 by the Mullard Space Science Lab), along with Prof. Peter Hall UKIERI UK-US-India Trilateral Research in Partnership (Sheffield University), have been awarded nearly £1.5m Scheme, for collaborative research on photocatalytic by the EPSRC, under the Hydrogen and Fuel Cells Grand hydrogen production and storage in mixed carbon / boron Challenges Call, for research into “Hybrid Supercapacitor/ nitride nanostructures. Fuel Cell Electric Vehicles”, in collaboration with industrial partners.

Prof Richard Catlow and a team of nine investigators including Profs Marc-Olivier Coppens and Asterios Dr Scott Woodley and Prof Richard Catlow have been Gavriilidis from UCL Chemical Engineering have been awarded a 5 year grant by EPSRC for the “Materials awarded a grant of £3.7M from EPSRC for the “UK Chemistry Consortium” which coordinates the work of 45 Catalysis Hub” project. The project funded by a grant to university groups in the development and application of UCL Chemistry will be based at the Research complex at high performance computing (HPC) techniques in materials Harwell and will provide the hub for a coordinated £13M chemistry. The value of the grant is £386K plus computer EPSRC project in catalytic science involving over 30 time amounting to approximately 18% of the national HPC universities. resources (HECToR and its successor ARCHER), - current cash value, over £6M per annum. UCL academics on the grant include Dr Ben Slater, Prof Nora de Leeuw (UCL Chemistry) and Alex Shluger (P&A) A UCL team from Chemistry (Prof Nora de Leeuw (PI), Prof Jawwad Darr, Prof Richard Catlow, Dr Alberto Roldan, Dr Nathan Hollingsworth, Dr Josie Goodall), Chemical Engineering (Dr Dan Brett) and the Harwell Prof Zheng-Xiao Guo (UCL Chemistry), Dr. Paul Sheering Catalysis Centre (Dr Andy Beale, Dr Nikos Dimitratos) and Dr Dan Brett from UCL Chemical Engineering in have been awarded £1.1M from EPSRC to continue their collaboration with Imperial College London and 6 other work on “Bio-inspired sulfide nano-catalysts: from proof of universities have been awarded a ‘Grid Scale Storage’ concept to ‘real’ catalysis”. award from of £2.9m out of a total £14.5m.

UCL Chemistry NEWSLETTER 23 GRANTS AND AWARDS

Left: Prof Parkin, middle: Prof. Abdullah Yousif Abdullah Obaid, right: Dr Sanjay Sathasivam

The photograph shows Professor Parkin receiving the International Collaboration award from KAU Jedda. The award was presented by Prof. Abdullah Yousif Abdullah Obaid the Dean of Sciences at KAU on behalf of the President of the University Prof Osama S. Yayyeb. The award was in recongnition of the collaborative work between UCL and KAU in Chemistry, especially for research related to water purification.

24 UCL Chemistry NEWSLETTER GRANTS AND AWARDS

UKIERI UGC – Tailoring and Optimization of Structural Research Grants Awarded and Electrical Properties of Semi-conducting Oxide Based Nano Structured Materials Suitable for Novel Gas Sensing Phosphoro-Strecker Reaction: Amino Acid Synthesis and Applications Phosphoryl Activation £24,150 £189,794 BRITISH COUNCIL LEVERHULME TRUST PI: Prof Ivan Parkin PI: Dr Matthew Powner 1/4/2013 1/8/2013 Energy Functional Metal Oxide Surfaces Materials Chemistry High End Computing Consortium £50,000 £384,732 ROYAL SOCIETY EPSRC PI: Prof Geoff Thornton PI: Prof Richard Catlow 1/4/2013 1/7/2013 Centre for Health Service and Academic Partnership in New Laboratory Contraints on the Water Content of the Mantle Translational E-Health Research (CHAPTER) £77,018 £31,062 NERC MRC PI: Prof Paul McMillan PI: Prof Peter Coveney 5/6/2013 1/3/2013

UK Consortium on Mesoscale Engineering Sciences Wearable Assistive Materials (UKCOMES) £237,915 £25,328 EPSRC EPSRC PI: Prof Ivan Parkin PI: Prof Peter Coveney 1/3/2013 1/6/2013 Integrating Modelling and Experimental Approaches to Centre for Nature Inspired Engineering (CNIE): Addressing Investigate Aventitious Agerelated Collagen Crosslinking Challenges in Sustainability and Scalable Manufacturing in Skeletal Tissues £58,997 £308,313 EPSRC BBSRC PI: Prof Gopinathan Sankar PI: Prof Nora De Leeuw 1/6/2013 1/3/2013

Energy Materials: Compuational Solutions PCATDES – Photocatalytic Materials for the Destruction of £1,228,486 Recalcitrant Organic Industrial Waste EPSRC £312,641 PI: Prof Nora De Leeuw EUROPEAN COMMISSION FP7 20/5/2013 PI: Prof Ivan Parkin 1/2/2013 SI2-CHE: Collaborative Research: Developing First Priniciples Monte Carlo Methods for Reactive Phase and Sorption Bio-Derived Feedstockes for Sustainable, UK-Based Equilibria in the CP2K Software Suite Manufacture of Chemiscals and Pharmaceutical £390,309 Intermediates EPSRC £380,647 PI: Dr Ben Slater EPSRC 16/5/2013 PI: Prof Helen Hailes 1/2/2013 Synthesis of Nanooxides by Crucible-Free Aerosol method and Creation of Nanostructured Compositions for Functional Advancing the Crystal Structure Prediction of Small Purposes Molecule Drug Crystal Forms £12,000 £169,926 ROYAL SOCIETY ELI LILLY AND COMPANY LTD PI: Prof Ivan Parkin PI: Prof Sally Price 20/4/2013 24/1/2013

Integrated Computation Solutions for Catalysis Nucleation and Growth of Iron Sulfides: Linking Theory £1,215,346 and Experiement EPSRC £333,717 PI: Prof Nora De Leeuw NERC 1/4/2013 PI: Prof Nora De Leeuw 14/1/2013

UCL Chemistry NEWSLETTER 25 GRANTS AND AWARDS

Discovery of New Multi-phase Photocatalysts Energy Storage for Low Carbon Grids £67,100 £331,533 EPSRC EPSRC PI: Dr Robert Palgrave PI: Prof Xiao Guo 1/1/2013 1/10/2012

4G-PHOTOCAT – Forth Generation Photocatalysts: Nano Reactions of Ceria Surfaces Engineered Composites for Water Decontamination in £32,000 Low-cost Paintable Photoreactors SABIC UK PETROCHEMICALS LTD £183,324 PI: Prof Geoff Thornton EUROPEAN COMMISSION FP7 24/9/2012 PI: Prof Xiao Guo 1/1/2013 Development of Novel Photocatalysts using a Combinatorial Chemistry Approach Effective Adsorbents for Establishing Solids Looping as a £32,535 Next Generation NG PCC Technology BIO NANO CONSULTING ROYAL SOCIETY PI: Prof Claire Carmalt £213,791 24/9/2012 EPSRC PI: Prof Xiao Guo Complexity-Generating Hydration Reactions via Metal- 1/1/2013 Catalysed Reaction of Boronic Acids with Alkenes £345,136 Complex Materials for a Sustainable Energy Future: EPSRC Linking Computation and Experiment PI: Dr Tom Sheppard £8,250 10/9/2012 ROYAL SOCIETY PI: Prof Nora De Leeuw A Comprehensive Coordinated Programme for Carbon 17/12/2012 Capture and Utilisation (CCU) Research £1,134,091 Precursor Chemistry and the CVD of Transparent EPSRC Conducting Oxides PI: Prof Nora De Leeuw £461,644 7/9/2012 EPSRC PI: Prof Claire Carmalt Development of Novel Sulfonamide-Based 1/12/2012 Peptidomimetrics £78,170 Confidence in Concept 2012 Confidence in Concept 2012 LEVERHULME TRUST £11,356 PI: Dr Jon Wilden MRC 1/9/2012 PI: Dr Tom Sheppard 1/11/2012 Photoelectron Spectroscopy in a Liquid Microjet: Unravelling the Excited State Dynamics of Photoactive Proteins Centre for Catalytic Science: Coordinating, Promoting and £724,151 Advancing the UK Caralysis Sector EPSRC £628,407 PI: Prof Helen Fielding EPSRC 1/9/2013 PI: Prof Richard Catlow 1/11/2012 Reducing the Cost and Prolonging the Durability of Hydrogen Fuel Cell Systems by In-Situ Hydrogen Purification and Studies of Non-covalent Interactions of Functional Technology Hybridization Groups with PI Systems £890,242 £155,648 EPSRC LEVERHULME TRUST PI: Prof Xiao Guo PI: Prof William Motherwell 1/9/2013 22/10/2012

Molecular Modelling of Zeolite Catalysed Condensate Reactions £107,000 BP INTERNATIONAL LTD PI: Dr Rob Bell 1/10/2012

26 UCL Chemistry NEWSLETTER TALKS/PRESENTATIONS

Dr Matthew Habgood lectured at the 10th international Prof Robin Ganellin chaired the meeting of the IUPAC conference on Crystal Growth of Organic Materials on Subcommittee on Medicinal Chemistry and Drug Development “Growth Stage Selection of Computationally Predicted Crystal on September 1st, 2012 in Berlin, Germany. Structures”, at Limerick in June 2012, and on “How Polarisation and Dispersion challenge Crystal Structure Prediction”, at the Prof Robin Ganellin presented the 2012 IUPAC-Richter Gordon Research Conference in Computational Chemistry at Prize in Medicinal Chemistry to Prof. Stephen Hanessian Vermont in July 2012. (University of Montreal) on September 4 at the XXIInd International Symposium on Medicinal Chemistry in Berlin Ogaga Uzoh gave an oral presentation on “A computational and chaired Hanessian’s lecture. Investigation of the Polymorphophore Concept” and Dr Matthew Habgood on “Disorder and a Glance at the Prof Sally Price gave a lecture entitled “Computed Crystal Amorphous Phase” at the European Crystallographic Meeting Energy Landscapes as a Complement to Solid State Screening” in Bergen, Norway, in August 2012. at the joint meeting of the Chemical Crystallography and Industrial Groups of the British Crystallographic Association Dr Martijn Zwijnenburg gave oral presentations on on 14th November 2012 in Birmingham “Computational perspective on the relationship between structure and optical properties of polypyrene materials” Dr Tom Sheppard gave a talk entitled “Water Driven and “Finding low-energy porous polymorphs for compounds Synthesis: Formation and Activation of Carbon-Oxygen traditionally considered dense” at the 244th ACS National Bonds” at Imperial College London on the 6th of November Meeting in Philadelphia, in August 2012. and at the University of Strathclyde on the 14th of November.

Enrico Berardo gave an oral presentation on “Modelling Dr Devis Di Tommaso gave an invited talk entitled “The excited state processes in realistic inorganic nanoparticles” role of solution chemistry in controlling the polymorphism of at the CECAM workshop “Modelling realistic inorganic organic” at Astra Zeneca Macclesfield site on 29th January nanostructures: bridging the gap between theory and 2013. experiment” in Zaragoza, Spain, on the 5th September 2012. Dr Devis Di Tommaso gave a talk to GCSE and A level Prof Sally L Price, lectured on “Computed Crystal Energy students. The role of solution chemistry in controlling the Landscapes as a Complement to Solid State Screening” at polymorphism of organic crystals at “Overton Grange School” the Inaugural meeting of the Irish Crystallographic Association in Sutton (Surrey) on 14th February 2013. in Dublin on 6th September 2012 Prof Sally Price gave a lecture entitled “Why don’t we find Dr Martijn Zwijnenburg gave an oral presentation on more polymorphs?” at the Max Planck Institute for Dynamics “Excited state behaviour of inorganic nanoparticles” at the of Complex technical Systems in Magdeburg, Germany on 7th CECAM Conference “Energy from the sun” in Sardinia, Italy, February 2013 on the 11th of September 2012. Dr Tom Sheppard gave a talk entitled “Water driven synthesis: Jörg Saßmannshausen gave an oral presentations on formation and activation of carbon-oxygen bonds” at the “Model compounds for anionic ethene polymerisation” at the University of York on Wednesday 13th February. XXV International Conference on Organometallic Chemistry Dr Mike Porter gave a lecture entitled “Chemistry through in Lisbon, Portugal in September 2012. the looking glass” to about 400 students in the 325-seat Prof Nik Kaltsoyannis gave a talk entitled “Oxidation state Chemistry auditorium, at the UCL Science Centre on Friday ambiguity in f-element organometallics” to the Theoretical 8th February. Chemistry Group, Department of Chemistry, Tsinghua Dr Chris Blackman gave an invited lecture entitled “Vapour University, Beijing, on 11th October 2012. synthesis of functionalised nanomaterials and applications Prof Nik Kaltsoyannis gave a talk entitled “Taking AIM in sensing, photochemistry and catalysis” at Southampton at f element covalency; implications for minor actinide University on 26th February 2013. partitioning”, a keynote lecture at the International Workshop Prof Zheng Xiao Guo gave an invited lecture at the “Institute on Theoretical Aspects of the Actinides in the Nuclear Fuel of Physics Singapore 2013 Conference” Singapore on 4-6th Cycle, Tsinghua University, Beijing, on 12th October 2012. March 2013. Dr Chi Pang gave an invited talk, “Scanning probe microscopy Atif Elahi gave a lecture “Electron Transfer at the Solid/ studies of organic acids on single crystal TiO2”, at the Surface Gas Interface” at the Zing Electrochemistry Conference in Science of Biologically Important Interfaces Conference Lanzarote on 27th March 2013. (University of Manchester) 2012. Atif Elahi gave a lecture entitled “The Secret Of Man’s Red Prof Helen Hailes gave an invited lecture entitled “Adventures Fire” at the Set for Britain event (www.setforbritain.org.uk) at with Transketolases, Transaminases and Norcoclaurine The House of Commons on Monday 18th March 2013. Synthases: a Tale of three Enzymes” at Albert-Ludwigs- Universität Freiburg on 26th June 2012, at the University of Dr Ricardo Grau-Crespo gave a lecture entitled “Examining Stuttgart on 27th June 2012 and at Aachen University on 29th the density functional theory description of VO2 above and June 2012 below the metal insulator transition” at the American Physical Society annual meeting in Baltimore, USA, on 18th March Prof Helen Hailes gave an invited talk, “Scanning probe 2013. microscopy sgave an invited lecture entitled “The Catalytic Potential of Coptis japonica NCS2” at Biocat2012 in Hamburg on 3rd September 2012.

UCL Chemistry NEWSLETTER 27 TALKS/PRESENTATIONS

Prof Sally Price introduced “The Directed Assembly Network Dr Andrew Wills presented a talk entitled ‘Turning up the Crystallisation Roadmap” at the Crystallis Ability workshop, at GAS - using Google Apps Scripts to fast track feedback and Syngenta Jealot’s Hill on 8th April 2013. admin’ on Wednesday 15th May as part of the ‘Summits and Horizons: exemplars and prospects for teaching with Prof Sally Price gave a seminar on “Progress and problems e-learning @UCL’ in the computational prediction of organic crystal structures and polymorphism” to Bristol University Chemistry Department Atif Elahi gave a talk titled “Electron Transfer at the Solid/ on 21st March 2013. Gas Interface” at the 223rd Electrochemical Society (ECS) conference in Toronto. Dr Andy Kerridge gave a talk entitled “Oxidation state and aromaticity in f-element metallocenes” at the 2nd meeting Dr Thomas Varley is giving a talk on Tuesday 11th June of the COST Action CM1006 European f-element Network, entitled “Searching for cryptoelectrons – electron transfer Dublin on 17-18th April 2013. reactions on insulating materials” at the 2013 Annual Meeting of the Electrostatics Society of America, Cocoa Beach, Dr Andy Kerridge gave an invited lecture entitled “CASSCF Florida. methods in the f-block” at the Cost Action CM1006 European f-element Network Spring Training School, Dublin on 15-16th Dr John Buckeridge gave a talk entitled “Modelling CdS April 2013. nanostructures for third generation solar cell applications: a hybrid QM/MM approach” at the EMRS Spring meeting 2013. Enrico Berardo gave a talk entitled “How well does TD-DFT describes excited states of TiO2”, at the TD-DFT Conference Dr Devis Di Tommaso gave a talk entitled ‘The Molecular in Nantes on 23-26th April. Self-association of Carboxylic Acids in Solution: Testing the Validity of the Link Hypothesis using a Quantum Mechanical Prof Z. X. Guo co-organised the UK-China Forum on Continuum Solvation Approach’ at the Annual Conference of Graphene- / Carbon-Based Materials and Surface Phenomina the British Association for Crystal Growth, Manchester on 16- at UCL / London on 24-28th March 2013 18th June 2013.

Prof Z. X. Guo co-organised and was an invited speaker with Prof Sally Price gave “The Annual Lecture” entitled “Why don’t a talk entitled “Design and Synthesis of Nanostructures for we find more polymorphs?” to the British Association of Crystal Energy Storage and Carbon Capture” at the UK-China Forum Growth 2013 conference on 17th July. on Nanostructures for Energy and Catalysis held in Dalian / China on 14-18th March 2013. Prof Robin Clark gave a public lecture on “Science in Art” to the University of the Third Age before an audience of over Prof Z. X. Guo co-organised and was an invited speaker with 200 in the Peter Samuel Hall of the Royal Free Hospital, a talk entitled “Nanostructures for Energy Storage and Carbon Hampstead, on 1 July 2013. Capture” at the UCL-CAS Forum on Energy Nanostructures held in Beijing / China on 19-20th March 2013. Prof Robin Clark gave a public lecture on “Science in Art” to the University of the Third Age before an audience of over Prof Z. X. Guo was the keynote speaker with a talk entitled 200 in the Peter Samuel Hall of the Royal Free Hospital, “Nanostructures for Clean Energy” at the UK-China Clean Hampstead, on 1 July 2013. Energy Forum held at Queen Mary, University of London, London on 18-19th February 2013. Dr Christoph Salzmann gave an invited talk entitled “The Polymorphism of Ice” at the International Conference on Prof Z. X. Guo was an invited speaker with a talk entitled Neutron Scattering in Edinburgh on 10th July 2013. “Nanostructures for Energy Storage and Carbon Capture” at the Institute of Physics Singapore Meeting 2013 held in Prof Robin Ganellin chaired the afternoon session of the Singapore on the 4-6th March 2013. Centenary Nauta Symposium on Medicinal Chemistry at the Vrije Universiteit Amsterdam on 24th June 2013. Prof Robin Ganellin chaired the afternoon session of the 24th Annual RSC East of England Symposium on Medicinal Dr Martijn Zwijnenburg gave a talk entitled “Shedding light on Chemistry in Hatfield on 25 April 2013. the microscopic structure of conjugated microporous polymers and related polymeric solids” at the MC11 conference at Dr Andrew Wills presented an invited talk entitled ‘Magnetism Warwick University on the 9th of July. and magic - the travelling knot’ on Wednesday 19th December at the Royal Society of Chemistry Polar Solids Group meeting, Prof Z. Xiao Guo was invited to give a talk entitled “Battery St Andrew’s. Materials – for Phones, Cars and Grids” at the EU-Korea Conference on Sci and Technology (EKC2013) in Brighton on Dr Andrew Wills presented an invited talk entitled 23-26th July 2013. ‘Understanding the English - the anomalous Hall effect in a kagome metal’ on Wednesday 7th February at CSEC, the Dr Andy Kerridge gave a talk entitled “Oxidation state, University of Edinburgh. covalency and aromaticity in f-element metallocenes, M(C8H8)2 (M = Th, Pu, Ce)” at the 9th International Dr Andrew Wills presented an invited talk entitled ‘Magnetism Conference on the Chemistry and Physics of the Actinide and atomics displacements - a chemist’s perspective on Elements, Karlsruhe, Germany on 25th July. symmetry’ on Wednesday 18th February at the Royal Society meeting on Magnetoelastic Coupling in Functional Materials, Prof Sally Price gave a plenary lecture entitled “Why don’t we the Kavli Centre. find more polymorphs?” at the 21st International Conference on the Chemistry of the Organic Solid State on 8th August 2013 in Oxford, UK.

28 UCL Chemistry NEWSLETTER PUBLICATIONS

A J. C. Anderson and P. J. Koovits, N. Abdul-Karim, R. Morgan, R. Binions, F. E. Annanouch, T. Stoycheva, S. Vallejos, An Enantioselective Tandem Reduction/ C. Blackman, X. Correig and E. Llobet, T. Temple and K. Harrison, The Spatial Nitro-Mannich Reaction of Nitroalkenes Distribution of Postblast RDX Residue: AA-CVD Growth and Ethanol Sensing Using a Simple Thiourea Organocatalyst. Properties of Pure and Metal Decorated Forensic Implications. Journal of Forensic Chemical Science, (2013) 4, 2897-2901. Sciences, (2013) 58, 365-371. WO3 Nanoneedles. International Journal of Nanotechnology, (2013) 10, 455-469. A. Noble and J. C. Anderson, Nitro-Mannich Y. M. H. Abraham, J. Gil-Lostes, S. Corr and Reaction. Chemical Reviews, (2013) 113, T. Thomas, I. P. Parkin W. E. Acree, Determination of Partition 2887-2939. C. S. Blackman, Coefficients of Refrigerants by Gas Liquid and C. J. Carmalt, Atmospheric Pressure Chemical Vapour Deposition of Vanadium Chromatographic Headspace Analysis. B Journal of Chromatography A, (2012) 1265, Arsenide Thin Films Via the Reaction of 144-148. L. Castaneda, Z. V. F. Wright, C. Marculescu, VCl4 or VOCl3 with (BuAsH2)-Bu-t. Thin T. M. Tran, V. Chudasama, A. Maruani, Solid Films, (2013) 537, 171-175. E. A. Hull, J. P. M. Nunes, R. J. Fitzmaurice, M. H. Abraham and W. E. Acree, M. E. B. Smith, L. H. Jones, S. Caddick On the Solubility of Nicotinic Acid M. O. Blunt, J. Adisoejoso, K. Tahara, and J. R. Baker, and Isonicotinic Acid in Water and K. Katayama, M. Van der Auweraer, Y. A Mild Synthesis of N-Functionalised Organic Solvents. Journal of Chemical Tobe and S. De Feyter, Temperature- Bromomaleimides, Thiomaleimides and Thermodynamics, (2013) 61, 74-78. Induced Structural Phase Transitions Bromopyridazinediones. Tetrahedron in a Two-Dimensional Self-Assembled Letters, (2013) 54, 3493-3495. M. H. Abraham and W. E. Acree, Response Network. Journal of the American Chemical to “a Critique of Abraham and Acree’s Society, (2013) 135, 12068-12075. Correlation for deca-1,9-Diene-Water M. Fischer and R. G. Bell, Partition Coefficients”. New Journal of Influence of Zeolite Topology on CO2/N-2 T. Gelbrich, D. E. Braun, A. Ellern and U. Chemistry, (2013) 37, 882-885. Separation Behavior: Force-Field J. Griesser, Four Polymorphs of Methyl Simulations Using a DFT-Derived Charge Paraben: Structural Relationships and M. H. Abraham, W. E. Acree, A. Fahr and X. Model. Journal of Physical Chemistry C, Relative Energy Differences. Crystal L. Liu, Analysis of Immobilized Artificial Growth & Design, (2013) 13, 1206-1217. Membrane Retention Factors for Both (2012) 116, 26449-26463. Neutral and Ionic Species. Journal of X. R. Zhang, H. Bronstein, A. J. Kronemeijer, Chromatography A, (2013) 1298, 44-49. I. J. Sugden, D. F. Plant and R. G. Bell, J. Smith, Y. Kim, R. J. Kline, L. J. Richter, Thermal Rearrangement Mechanisms T. D. Anthopoulos, H. Sirringhaus, K. Song, J. R. M. Gola, J. Gil-Lostes, M. H. Abraham, in Icosahedral Carboranes and M. Heeney, W. M. Zhang, I. McCulloch W. E. Acree and J. E. Cometto-Muniz, Metallocarboranes. Chemical and D. M. DeLongchamp, Molecular Determination of Solvation Descriptors Origin of High Field-Effect Mobility in an Communications, (2013) 49, 975-977. for Terpene Hydrocarbons from Indacenodithiophene-Benzothiadiazole Journal Chromatographic Measurements. Copolymer. Nature Communications, (2013) of Chromatography A, (2013) 133-141. 1293, A. Torrisi, R. G. Bell and C. Mellot-Draznieks, 4. Predicting the Impact of Functionalized P. Twu, J. L. Anderson, T. W. Stephens, A. Ligands on CO2 Adsorption in MOFs: Wilson, W. E. Acree and M. H. Abraham, J. L. Edridge, K. Freimann, D. J. Burke Correlation of the Solubilizing Abilities A Combined DFT and Grand Canonical and W. A. Brown, Surface Science of 1-Butyl-1-Methyl-Pyrrolidinium Monte Carlo Study. Microporous and Investigations of the Role of CO2 in Astrophysical Ices. Philosophical Tris(Pentafluoroethyl)Trifluorophosphate, Mesoporous Materials, (2013) 168, 225-238. 1-Butyl-1-Methylpyrrolidinium Triflate and Transactions of the Royal Society 1-Methoxyethyl-1-Methylmorpholinium a-Mathematical Physical and Engineering M. Fischer and R. G. Bell, A Dispersion- Tris(Pentafluoroethyl)Trifluorophosphate. Sciences, (2013) 371. Journal of Solution Chemistry, (2013) 42, Corrected Density-Functional Theory 772-799. Study of Small Molecules Adsorbed in L. Burgio, A. Cesaratto and A. Derbyshire, Alkali-Exchanged Chabazites. Zeitschrift Comparison of English Portrait Miniatures Using Raman Microscopy W. L. Whaley, E. M. Okoso-amaa, C. L. Fur Kristallographie, (2013) 228, 124-133. Womack, A. Vladimirova, L. B. Rogers, M. and Other Techniques. Journal of Raman J. Risher and M. H. Abraham, Summation Spectroscopy, (2012) 43, 1713-1721. Solute Hydrogen Bonding Acidity Values E. Berardo, A. Pedone, P. Ugliengo and for Hydroxyl Substituted Flavones M. Corno, DFT Modeling of 45S5 and C Determined by NMR Spectroscopy. Natural 77S Soda-Lime Phospho-Silicate Glass Product Communications, (2013) 8, 85-98. Surfaces: Clues on Different Bioactivity F. D. King and S. Caddick, The Acid-Mediated Ring Opening/Cyclisation Reaction Mechanism. Langmuir, (2013) 29, 5749- A. E. Aliev and D. Courtier-Murias, Concise of N-Benzyl-Alpha-Aryl-Azetidinones. NMR Approach for Molecular Dynamics 5759. Tetrahedron, (2012) 68, 9350-9354. Characterizations in Organic Solids. Journal of Physical Chemistry A, (2013) 117, S. Vallejos, P. Umek, T. Stoycheva, F. L. Castaneda, Z. V. F. Wright, C. Marculescu, 7855-7862. Annanouch, E. Llobet, X. Correig, P. De T. M. Tran, V. Chudasama, A. Maruani, Marco, C. Bittencourt and C. Blackman, E. A. Hull, J. P. M. Nunes, R. J. Fitzmaurice, J. C. Anderson, A. Noble and P. R. Torres, M. E. B. Smith, L. H. Jones, S. Caddick Single-Step Deposition of Au- and Pt- An Intramolecular Nitro-Mannich Route and J. R. Baker, A Mild Synthesis of to Functionalised Tetrahydroquinolines. Nanoparticle-Functionalized Tungsten N-Functionalised Bromomaleimides, Tetrahedron Letters, (2012) 53, 5707-5710. Oxide Nanoneedles Synthesized Via Thiomaleimides and Bromopyridazinediones. Aerosol-Assisted Cvd, and Used for Tetrahedron Letters, (2013) 54, 3493-3495. J. C. Anderson, A. S. Kalogirou, M. J. Porter Fabrication of Selective Gas Microsensor and G. J. Tizzard, Synthesis of the Reported F. D. King and S. Caddick, The Triflic Arrays. Advanced Functional Materials, Structure of Piperazirum Using a Acid-Mediated Cyclisation of N-Benzyl- Nitro-Mannich Reaction as the Key (2013) 23, 1313-1322. Cinnamamides. Tetrahedron, (2013) 69, Stereochemical Determining Step. 487-491. Beilstein Journal of Organic Chemistry, (2013) 9.

UCL Chemistry NEWSLETTER 29 PUBLICATIONS

P. Moody, F. Burlina, S. R. Martin, R. E. A. Elahi and D. J. Caruana, Plasma H. Wu, M. Habgood, J. E. Parker, N. Reeves- Morgan, J. Offer, M. E. B. Smith, J. E. Electrochemistry: Voltammetry in a Flame McLaren, J. K. Cockcroft, M. Vickers, A. R. Molloy and S. Caddick, Evaluating the Plasma Electrolyte. Physical Chemistry West and A. G. Jones, Crystal Structure Use of Apo-Neocarzinostatin as a Cell Chemical Physics, (2013) 15, 1108-1114. Determination by Combined Synchrotron Penetrating Protein. Protein Engineering Powder X-Ray Diffraction and Crystal Design & Selection, (2013) 26, 277-281. G. Dutta, A. A. Sokol, C. R. A. Catlow, Structure Prediction: 1: 1 L-Ephedrine T. W. Keal and P. Sherwood, Activation D-Tartrate. Crystengcomm, (2013) 15, 1853- J. P. M. Nunes, C. A. M. Afonso and S. of Carbon Dioxide over Zinc Oxide by 1859. Caddick, Synthesis of 2,4-Bifunctionalised Localised Electrons. Chemphyschem, Cyclopentenones from 2-Furaldehyde. (2012) 13, 3453-3456. S. Derenne, C. Coelho, C. Anquetil, C. Szopa, Rsc Advances, (2013) 3, 14975-14978. A. S. Rahman, P. F. McMillan, F. Cora, C. J. J. Buckeridge, D. O. Scanlon, A. Walsh, Pickard, E. Quirico and C. Bonhomme, New E. H. Cao, M. Sankar, E. Nowicka, Q. He, C.R.A. Catlow and A. A. Sokol, Dynamical Insights into the Structure and Chemistry M. Morad, P. J. Miedziak, S. H. Taylor, D. W. Response and Instability in Ceria under of Titan’s Tholins via C-13 and N-15 Knight, D. Bethell, C. J. Kiely, A. Gavriilidis Lattice Expansion. Physical Review B, Solid State Nuclear Magnetic Resonance and G. J. Hutchings, Selective Suppression (2013) 87. Spectroscopy. Icarus, (2012) 221, 844-853. of Disproportionation Reaction in Solvent- less Benzyl Alcohol Oxidation Catalysed R. Catlow, Inorganic Materials Intuition L. Gomez-Hortiguela, F. Cora and C. R. by Supported Au-Pd Nanoparticles. Weaved into Computation. Nature A. Catlow, Complementary Mechanistic Catalysis Today, (2013) 203, 146-152. Chemistry, (2013) 5, 648-649. Properties of Fe- and Mn-Doped Aluminophosphates in the Catalytic A. Kafizas,C. J. Carmalt and I. P. Parkin, L. Gomez-Hortiguela, F. Cora and C. R. Aerobic Oxidation of Hydrocarbons. Does a Photocatalytic Synergy in an A. Catlow, Complementary Mechanistic Physical Chemistry Chemical Physics, (2013) Anatase-Rutile TiO2 Composite Thin-Film Properties of Fe- and Mn-Doped 15, 6870-6874. Exist?, Chemistry-a European Journal, Aluminophosphates in the Catalytic (2012) 18, 13048-13058. Aerobic Oxidation of Hydrocarbons. A. B. Jorge, D. J. Martin, M. T. S. Dhanoa, Physical Chemistry Chemical Physics, (2013) A. S. Rahman, N. Makwana, J. W. Tang, A. A. Kafizas,C. J. Carmalt and I. P. Parkin, 15, 6870-6874. Sella, F. Cora, S. Firth, J. A. Darr and CVD and Precursor Chemistry of P. F. McMillan, H-2 and O-2 Evolution Transition Metal Nitrides. Coordination H. U. Islam, A. Roffey, N. Hollingsworth, from Water Half-Splitting Reactions by Chemistry Reviews, (2013) 257, 2073-2119. R. Catlow, M. Wolthers, N. De Leeuw, Graphitic Carbon Nitride Materials. W. Bras, G. Sankar and G. Hogarth (2013). Journal of Physical Chemistry C, (2013) 117, A. Kafizas, S. A. Parry, A. V. Chadwick, In Situ XAS of the Solvothermal 7178-7185. C. J. Carmalt and I. P. Parkin, An EXAF Decomposition of Dithiocarbamate Study on the Photo-Assisted Growth of Complexes. 15th International Conference on A. Salamat, M. Deifallah, R. Q. Cabrera, Silver Nanoparticles on Titanium Dioxide X-Ray Absorption Fine Structure. Z. Y. Wu. F. Cora and P. F. McMillan, Identification Thin-Films and the Identification of Their Bristol, Iop Publishing Ltd. 430. of New Pillared-Layered Carbon Nitride Photochromic States. Physical Chemistry Materials at High Pressure. Scientific Chemical Physics, (2013) 15, 8254-8263. D. O. Scanlon, C. W. Dunnill, J. Buckeridge, Reports, (2013) 3. S. A. Shevlin, A. J. Logsdail, S. M. Woodley, P. Marchand, I. A. Hassan, I. P. Parkin and C. R. A. Catlow, M. J. Powell, R. G. Palgrave, S. Z. Wan and P. V. Coveney, Regulation C. J. Carmalt, Aerosol-Assisted Delivery I. P. Parkin, G. W. Watson, T. W. Keal, of JAK2 Activation by Janus Homology of Precursors for Chemical Vapour P. Sherwood, A. Walsh and A. A. Sokol, Band 2: Evidence from Molecular Dynamics Deposition: Expanding the Scope of Alignment of Rutile and Anatase TiO2. Simulations. Journal of Chemical CVD for Materials Fabrication. Dalton Nature Materials, (2013) 12, 798-801. Information and Modeling, (2012) 52, 2992- Transactions, (2013) 42, 9406-9422. 3000. A. Walsh, J. Buckeridge, C. R. A. Catlow, S. Ponja, S. Sathasivam, N. Chadwick, A. J. Jackson, T. W. Keal, M. Miskufova, S. Z. Wan, D. W. Wright and P. V. Coveney, A. Kafizas, S. M. Bawaked, A. Y. Obaid, P. Sherwood, S. A. Shevlin, M. B. Mechanism of Drug Efficacy within the S. Al-Thabaiti, S. N. Basahel, I. P. Parkin Watkins, S. M. Woodley and A. A. Sokol, EGF Receptor Revealed by Microsecond and C. J. Carmalt, Aerosol Assisted Limits to Doping of Wide Band Gap Molecular Dynamics Simulation. Molecular Chemical Vapour Deposition of Semiconductors. Chemistry of Materials, Cancer Therapeutics, (2012) 11, 2394-2400. Hydrophobic TiO2-SnO2 Composite Film (2013) 25, 2924-2926. with Novel Microstructure and Enhanced M. O. Bernabeu, R. W. Nash, D. Groen, Photocatalytic Activity. Journal of Materials C. Wang, H. Y. T. Chen, J. Bacsa, C. R. A. H. B. Carver, J. Hetherington, T. Kruger and Chemistry A, (2013) 1, 6271-6278. Catlow and J. L. Xiao, Synthesis and X-Ray P. V. Coveney, Impact of Blood Rheology Structures of Cyclometalated Iridium on Wall Shear Stress in a Model of the T. Thomas, C. S. Blackman, I. P. Parkin Complexes Including the Hydrides. Dalton Middle Cerebral Artery. Interface Focus, and C. J. Carmalt, Atmospheric Pressure Transactions, (2013) 42, 935-940. (2013) 3. Chemical Vapour Deposition of Vanadium Arsenide Thin Films via the Reaction of S. Brown and R. J. H. Clark, Anatase: S. F. Buchsbaum, N. Mitchell, H. Martin, VCl4 or VOCl3 with (BuAsH2)-Bu-t. Thin Important Industrial White Pigment and M. Wiggin, A. Marziali, P. V. Coveney, Solid Films, (2013) 537, 171-175. Date-Marker for Artwork. Spectrochimica Z. Siwy and S. Howorka, Disentangling Acta Part a-Molecular and Biomolecular Steric and Electrostatic Factors in M. Wilkinson, A. Kafizas, S. M. Bawaked, Spectroscopy, (2013) 110, 78-80. Nanoscale Transport through Confined A. Y. Obaid, S. A. Al-Thabaiti, S. N. Space. Nano Letters, (2013) 13, 3890-3896. Basahel, C. J. Carmalt and I. P. Parkin, R. J. H. Clark, Rayleigh, Ramsay, Combinatorial Atmospheric Pressure Rutherford and Raman - Their P. V. Coveney, V. Diaz-Zuccarini, N. Graf, Chemical Vapor Deposition of Graded Connections with, and Contributions P. Hunter, P. Kohl, J. Tegner and M. Viceconti, TiO2-VO2 Mixed-Phase Composites and to, the Discovery of the Raman Effect. Integrative Approaches to Computational Their Dual Functional Property as Self- Analyst, (2013) 138, 729-734. Biomedicine. Interface Focus, (2013) 3. Cleaning and Photochromic Window Coatings. Acs Combinatorial Science, (2013) 15, 309-319.

30 UCL Chemistry NEWSLETTER PUBLICATIONS

B. R. Jefferys, I. Nwankwo, E. Neri, D. C. W. A. C. Brooks, L. Martin, P. Day, E. B. Lopes, R. I. Ainsworth, D. Di Tommaso, J. K. Chang, L. Shamardin, S. Hanold, N. Graf, N. M. Almeida, K. Kikuchi, W. Fujita, K. Sasamori, Christie and N. H. de Leeuw, Polarizable Forgo and P. Coveney, Navigating Legal H. Aktusu and J. D. Wallis, Hydrogen Force Field Development and Molecular Constraints in Clinical Data Warehousing: Bonded Anion Ribbons, Networks and Dynamics Study of Phosphate-Based A Case Study in Personalized Medicine. Clusters and Sulfur-Anion Interactions in Glasses. Journal of Chemical Physics, Interface Focus, (2013) 3. Novel Radical Cation Salts of BEDT-TTF (2012) 137. with Sulfamate, Pentaborate and Bromide. Dalton Transactions, (2013) 42, 6645-6654. J. B. Swadling, J. L. Suter, H. C. Greenwell S. Haider, D. Di Tommaso and N. H. and P. V. Coveney, Influence of Surface de Leeuw, Density Functional Theory Chemistry and Charge on Mineral-RNA Y. Halpin, M. Schulz, A. C. Brooks, W.R. Simulations of the Structure, Stability Interactions. Langmuir, (2013) 29, 1573- Browne, J. D. Wallis, L. Gonzalez, 1583. P. Day and J. G. Vos, Electrochemistry and Dynamics of Iron Sulphide Clusters and Time Dependent DFT Study of in Water. Physical Chemistry Chemical D a (Vinylenedithio)-TTF Derivative in Physics, (2013) 15, 4310-4319. Different Oxidation States. Electrochimica S. J. Alexander, T. Lin, D. J. L. Brett, J. R. G. Acta, (2013) 100, 188-196. S. Noimark, C. W. Dunnill and I. P. Parkin, Evans, G. Cibin, A. Dent, G. Sankar and J. Shining Light on Materials - a Self- A. Darr, A Combinatorial Nanoprecursor R. I. Ainsworth, D. Di Tommaso, J. K. Sterilising Revolution. Advanced Drug Route for Direct Solid State Chemistry: Christie and N. H. de Leeuw, Polarizable Delivery Reviews, (2013) 65, 570-580. Discovery and Electronic Properties of Force Field Development and Molecular New Iron-Doped Lanthanum Nickelates up Dynamics Study of Phosphate-Based D. O. Scanlon, C. W. Dunnill, J. Buckeridge, to La4Ni2FeO10-delta. Solid State Ionics, Glasses. Journal of Chemical Physics, S. A. Shevlin, A. J. Logsdail, S. M. Woodley, (2012) 225, 176-181. (2012) 137. C. R. A. Catlow, M. J. Powell, R. G. Palgrave, I. P. Parkin, G. W. Watson, T. W. Keal, P. R. I. Gruar, C. J. Tighe and J. A. Darr, T. D. Daff and N. H. de Leeuw, A Density Sherwood, A. Walsh and A. A. Sokol, Band Scaling-up a Confined Jet Reactor for the Functional Theory Investigation of the Alignment of Rutile and Anatase TiO2. Continuous Hydrothermal Manufacture Molecular and Dissociative Adsorption of Nature Materials, (2013) 12, 798-801. of Nanomaterials. Industrial & Engineering Hydrazine on Defective Copper Surfaces. Chemistry Research, (2013) 52, 5270-5281. Journal of Materials Chemistry, (2012) 22, E 23210-23220. A. B. Jorge, D. J. Martin, M. T. S. Dhanoa, S. J. Alexander, T. Lin, D. J. L. Brett, J. R. G. A. S. Rahman, N. Makwana, J. W. Tang, N. Almora-Barrios, R. Grau-Crespo and N. Evans, G. Cibin, A. Dent, G. Sankar and J. A. Sella, F. Cora, S. Firth, J. A. Darr and H. de Leeuw, A Computational Study of A. Darr, A Combinatorial Nanoprecursor P. F. McMillan, H-2 and O-2 Evolution Magnesium Incorporation in the Bulk and from Water Half-Splitting Reactions by Surfaces of Hydroxyapatite. Langmuir, Route for Direct Solid State Chemistry: Graphitic Carbon Nitride Materials. Journal (2013) 29, 5851-5856. Discovery and Electronic Properties of of Physical Chemistry C, (2013) 117, 7178- New Iron-Doped Lanthanum Nickelates . Solid State Ionics, 7185. S. Haider, D. Di Tommaso and N. H. de up to La4Ni2FeO10-delta Leeuw, Density Functional Theory (2012) 225, 176-181. X. M. Li, Y. Qiu, S. S. Wang, S. Lu, R. I. Gruar, Simulations of the Structure, Stability X. H. Zhang, J. A. Darr and T. He, and Dynamics of Iron Sulphide Clusters X. S. Lu, L. F. Chen, N. Amini, S. F. Yang, Electrophoretically Deposited TiO2 in Water. Physical Chemistry Chemical J. R. G. Evans and Z. X. Guo, Novel Compact Layers Using Aqueous Physics, (2013) 15, 4310-4319. Methods to Fabricate Macroporous 3D Suspension for Dye-Sensitized Solar Carbon Scaffolds and Ordered Surface Cells. Physical Chemistry Chemical Physics, S. Irrera, G. Portalone and N. H. De Leeuw, Mesopores on Carbon Filaments. Journal (2013) 15, 14729-14735. Chemisorption of Uracil on Gold Surfaces of Porous Materials, (2012) 19, 529-536. via Density Functional Theory. Surface Science, (2013) , 20-23. A. U. Rashid, P. Southern, J. A. Darr, 614 X. S. Lu, J. R. G. Evans and S. N. Heavens, S. Awan and S. Manzoor, Strontium A Comparison of the Tape Casting of Hexaferrite (SrFe12O19) Based S. Irrera, A. Roldan, G. Portalone and N. H. Alpha- and Beta-Alumina. Journal of the Composites for Hyperthermia De Leeuw, The Role of Hydrogen Bonding Applications. Journal of Magnetism and European Ceramic Society, (2012) 32, 4219- and Proton Transfer in the Formation 4228. Magnetic Materials, (2013) 344, 134-139. of Uracil Networks on the Gold (100) Surface: A Density Functional Theory L. Shi, A. J. T. Naik, J. B. M. Goodall, C. Tighe, P. Walley, Y. Zhang and J. R. G. Evans, Self- Approach. Journal of Physical Chemistry C, R. Gruar, R. Binions, I. Parkin and J. Darr, Assembly of Montmorillonite Platelets (2013) 117, 3949-3957. Highly Sensitive ZnO Nanorod- and During Drying. Bioinspiration & Biomimetics, Nanoprism-Based NO2 Gas Sensors: Size (2012) 7. and Shape Control Using a Continuous H. U. Islam, A. Roffey, N. Hollingsworth, Hydrothermal Pilot Plant. Langmuir, (2013) R. Catlow, M. Wolthers, N. De Leeuw, W. Y. Zhang and J. R. G. Evans, Morphologies 29, 10603-10609. Bras, G. Sankar and G. Hogarth. In Situ Developed by the Drying of Droplets XAS of the Solvothermal Decomposition Containing Dispersed and Aggregated C. J. Tighe, R. Q. Cabrera, R. I. Gruar of Dithiocarbamate Complexes. 15th Layered Double Hydroxide Platelets. and J. A. Darr, Scale up Production of International Conference on X-Ray Journal of Colloid and Interface Science, Nanoparticles: Continuous Supercritical Absorption Fine Structure. Z. Y. Wu. Bristol, (2013) 395, 11-17 Water Synthesis of Ce-Zn Oxides. Iop Publishing Ltd. (2013) 430. Industrial & Engineering Chemistry Research, F (2013) 52, 5522-5528. A. Roldan, D. Santos-Carballal and N. H. M. R. Farrow, P. J. Camp, P. J. Dowding de Leeuw, A Comparative DFT Study of and K. Lewtas, The Effects of Surface the Mechanical and Electronic Properties Curvature on the Adsorption of of Greigite Fe S and Magnetite Fe O . 3 4 3 4 Surfactants at the Solid-Liquid Interface. Journal of Chemical Physics, (2013) 138. Physical Chemistry Chemical Physics, (2013) 15, 11653-11660.

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T. Ishiyama, S. Rieder, J. Makino, S. P. P. F. Yuan, F. Wang, Q. Sun, Y. Jia and Z. C. R. S. Mooney, D. A. Horke, A. S. Zwart, D. Groen, K. Nitadori, C. de Laat, X. Guo, Structural and Reaction Pathway Chatterley, A. Simperler, H. H. Fielding S. McMillan, K. Hiraki and S. Harfst, The Analyses of Mg(BH4)(2)Center Dot 2NH(3) and J. R. R. Verlet, Taking the Green Cosmogrid Simulation: Statistical for Hydrogen Storage : A First-Principles Fluorescence out of the Protein: Properties of Small Dark Matter Halos. Study. International Journal of Hydrogen Energy, (2013) 38, 2836-2845. Dynamics of the Isolated GFP Astrophysical Journal, (2013) 767. Chromophore Anion. Chemical Science, H (2013) 4, 921-927. M. Sahun-Roncero, B. Rubio-Ruiz, G. Saladino, A. Conejo-Garcia, A. Espinosa, , R. W. Lancaster, M. Gateshki M. Fischer and R. G. Bell, Influence of A. Velazquez-Campoy, F. L. Gervasio, M. Habgood and A. M. Kenwright, The Amorphous Form Zeolite Topology on CO2/N-2 Separation A. Entrena and R. Hurtado-Guerrero, The Behavior: Force-Field Simulations Using Mechanism of Allosteric Coupling in of Salicylsalicylic Acid: Experimental a DFT-Derived Charge Model. Journal of Choline Kinase1 Revealed by the Action Characterization and Computational . Crystal Growth & Design, Physical Chemistry C, (2012) 116, 26449- of a Rationally Designed Inhibitor. Predictability 26463. Angewandte Chemie-International Edition, (2013) 13, 1771-1779. (2013) 52, 4582-4586. S. Perez-Yanez, G. Beobide, O. Castillo, G. D. Kenny, C. Villegas-Llerena, A. D. Tagalakis, F. Campbell, K. Welser, M. Botta, A. M. Fischer, F. Hoffmann, M. Froba, J. L. Sutto and F. L. Gervasio, Effects B. Tabor, , M. F. Lythgoe and S. Cepeda and A. Luque, Gas Adsorption of Oncogenic Mutations on the H. C. Hailes L. Hart, Properties and Selectivity in Cu(II)/ Conformational Free-Energy Landscape of Multifunctional Receptor-Targeted Adeninato/Carboxylato Metal-Biomolecule EGFR Kinase. Proceedings of the National Nanocomplexes for Magnetic Resonance . Frameworks. European Journal of Inorganic Academy of Sciences of the United States of Imaging and Transfection of Tumours Biomaterials, (2012) , 7241-7250. Chemistry, (2012), 5921-5933. America, (2013) 110, 10616-10621 33 T. Pesnot, M. C. Gershater, J. M. Ward and M. Fischer and R. G. Bell, A Dispersion- J. R. Kim, H. C. Boghani, N. Amini, K. F. H. , Corrected Density-Functional Theory Aguey-Zinsou, I. Michie, R. M. Dinsdale, A. J. C. Hailes The Catalytic Potential of Coptis Study of Small Molecules Adsorbed in Guwy, Z. X. Guo and G. C. Premier, Porous japonica NCS2 Revealed - Development Alkali-Exchanged Chabazites. Zeitschrift Anodes with Helical Flow Pathways in and Utilisation of a Fluorescamine-Based . Advanced Synthesis & Catalysis, Fur Kristallographie, (2013) 228, 124-133. Bioelectrochemical Systems: The Effects Assay (2012) , 2997-3008. of Fluid Dynamics and Operating Regimes. 354 A. Lombino, T. Atkinson and S. Firth, Journal of Power Sources, (2012) 213, 382-390. d18O Analysis of Organic Compounds: N. Mitchell, T. L. Kalber, M. S. Cooper, K. Problems with Pyrolysis in Molybdenum- X. S. Lu, L. F. Chen, N. Amini, S. F. Yang, J. Sunassee, S. L. Chalker, K. P. Shaw, K. L. Ordidge, A. Badar, S. M. Janes, P. J. Lined Reactors. Rapid Communications in R. G. Evans and Z. X. Guo, Novel Methods Mass Spectrometry, (2012) 26, 2407-2412. Blower, M. F. Lythgoe, and A. to Fabricate Macroporous 3D Carbon H. C. Hailes Proc. R. Soc. A, 467, 1959-1969. B. Tabor, Scaffolds and Ordered Surface Mesopores Incorporation of Paramagnetic, on Carbon Filaments. Journal of Porous Fluorescent and PET/SPECT Contrast G Materials, (2012) 19, 529-536. Agents into Liposomes for Multimodal Imaging. Biomaterials, (2013) 34, 1179-1192. D. R. Buckle, P. W. Erhardt, , C. R. Ganellin J. Gu, M. X. Gao, H. G. Pan, Y. F. Liu, B. Li, T. Kobayashi, T. J. Perun, J. Proudfoot and K. Welser, F. Campbell, L. Kudsiova, A. Y. J. Yang, C. Liang, H. L. Fu and Z. X. Guo, J. Senn-Bilfinger,Glossary of Terms Used Mohammadi, N. Dawson, S. L. Hart, D. J. Improved Hydrogen Storage Performance in Medicinal Chemistry. Part ii (IUPAC Barlow, , M. J. Lawrence and of Ca(BH )(2): A Synergetic Effect of H. C. Hailes Recommendations 2013). Pure and Applied 4 A. B. Tabor, Porous Morphology and In Situ Formed Gene Delivery Using Ternary Chemistry, (2013) 85, 1725-1758. Lipopolyplexes Incorporating Branched TiO2. Energy & Environmental Science, (2013) 6, 847-858. Cationic Peptides: The Role of Peptide L. Zhang, M. Ouyang, C. R. Ganellin Sequence and Branching. Molecular and S. A. Thomas, The Slow Pharmaceutics, (2013) , 127-141. H. S. Li, W. G. Chen, F. Wang, Q. Sun, Z. 10 Afterhyperpolarization: A Target X. Guo and Y. Jia, Tin Clusters Formed of Beta(1)-Adrenergic Signaling in , L. Peter, J. Bellis, B. Baum, A. J. by Fundamental Units: A Potential Way A. R. Harris Hippocampus-Dependent Memory Kabla and G. T. Charras, to Assemble Tin Nanowires. Physical Characterizing the Retrieval. Journal of Neuroscience, (2013) . Chemistry Chemical Physics, (2013) 15, Mechanics of Cultured Cell Monolayers , 5006-5016. 33 1831-1836. Proceedings of the National Academy of Sciences of the United States of America, S. Hoof, N. N. Gosvami and B. W. (2012) , 16449-16454. G. Srinivas, W. Travis, J. Ford, H. Wu, Z. X. 109 Hoogenboom, Enhanced Quality Factors Guo and T. Yildirim, Nanoconfined Ammonia and Force Sensitivity by Attaching S. R. Schofield, P. Studer, , Borane in a Flexible Metal-Organic C. F. Hirjibehedin Magnetic Beads to Cantilevers for Atomic N. J. Curson, G. Aeppli and D. R. Bowler, Framework Fe-MIL-53: Clean Hydrogen Force Microscopy in Liquid. Journal of Release with Fast Kinetics. Journal of Quantum Engineering at the Silicon Applied Physics, (2012) 112. . Nature Materials Chemistry A, (2013) 1, 4167-4172. Surface Using Dangling Bonds Communications, (2013) 4. P. Rivero, I. Moreira, , S. R. Grau-Crespo L. Wang, F. Wang, P. F. Yuan, Q. Sun, E. N. Datta and F. Illas, General Model for P. Studer, S. R. Schofield, J. Liang, Y. Jia and Z. X. Guo, Negative C. F. Hirjibehedin Explicitly Hole-Doped Superconductor and N. J. Curson, Thermal Expansion Correlated with Studying Atomic Scale Parent Compounds: Electronic Structure Polyhedral Movements and Distortions in Structural and Electronic Properties of Ion of Ca2-xNaxCuO2Cl2 as a Case Study. Orthorhombic Y MO O . Materials Research Implanted Silicon Samples Using Cross- Physical Review B, (2013) 88. 2 3 12 . Bulletin, (2013) 48, 2724-2729. Sectional Scanning Tunneling Microscopy Applied Physics Letters, (2013) 102.

32 UCL Chemistry NEWSLETTER PUBLICATIONS

S. Ghosh, G. Hogarth, S. E. Kabir, A. K. S. Ghosh, G. Hogarth, N. Hollingsworth, K. M. B. Jones, A. J. Gaunt, J. C. Gordon, Raha, M. G. Richmond and J. C. Sarker, B. Holt, I. Richards, M. G. Richmond, B. N. Kaltsoyannis, M. P. Neu and B. L. Backbone Modified Small Bite-Angle E. Sanchez and D. Unwin, Models of the Scott, Uncovering F-Element Bonding Diphosphines: Synthesis, Structure and Iron-Only Hydrogenase: A Comparison of Differences and Electronic Structure in Regioselective Thermal Rearrangements Chelate and Bridge Isomers of Fe-2(CO) a Series of 1:3 and 1:4 Complexes with of Os-3(CO)(10){mu-Ph2PCH(Me)PPh2}. (4){Ph2PN(R)PPh2}(mu-pdt) as Proton- a Diselenophosphinate Ligand. Chemical Journal of Cluster Science, (2012) 23, 781-798. Reduction Catalysts. Dalton Transactions, Science, (2013) 4, 1189-1203. (2013) 42, 6775-6792. G. Hogarth, Metal-Dithiocarbamate N. Kaltsoyannis, Does Covalency Complexes: Chemistry and Biological S. Naeem, A. Ribes, A. J. P. White, M. N. Haque, Increase or Decrease across the Actinide Activity. Mini-Reviews in Medicinal K. B. Holt and J. Wilton-Ely, Multimetallic Series? Implications for Minor Actinide Chemistry, (2012) 12, 1202-1215. Complexes and Functionalized Partitioning. Inorganic Chemistry, (2013) 52, Nanoparticles Based on Oxygen- and 3407-3413. S. A. Al-Jibori, Q. K. A. Al-Jibori, H. Schmidt, Nitrogen-Donor Combinations. Inorganic K. Merzweiler, C. Wagner and G. Hogarth, Chemistry, (2013) 52, 4700-4713. A. R. E. Mountain and N. Kaltsoyannis, Do Palladium(II) Saccharinate (sac) and QTAIM Metrics Correlate with the Strength Thiosaccharinate (tsac) Complexes S. F. Buchsbaum, N. Mitchell, H. Martin, of Heavy Element-Ligand Bonds?, Dalton with 2-Aminopyridine (2-ampy), M. Wiggin, A. Marziali, P. V. Coveney, Z. Siwy Transactions, (2013) 42, 13477-13486. 2-Acetylaminopyridine (2-aampy) and and S. Howorka, Disentangling Steric 2-Acetylaminopyrimidine (2-aampym) and Electrostatic Factors in Nanoscale A. V. Protchenko, A. D. Schwarz, M. P. Blake, co-Ligands: X-Ray Crystal Structures Transport through Confined Space. Nano C. Jones, N. Kaltsoyannis, P. Mountford of Trans- Pd(sac)(2)(ampy)(2) and Letters, (2013) 13, 3890-3896. and S. Aldridge, A Generic One-Pot Route Solvatomorphs Trans- Pd(Sac)(2) to Acyclic Two-Coordinate Silylenes

(2-Aampy)(2) .S (S = CHCl3, thf). Inorganica J. R. Burns, E. Stulz and S. Howorka, Self- from Silicon(iv) Precursors: Synthesis Chimica Acta, (2013) 402, 69-74. Assembled DNA Nanopores That Span and Structural Characterization of Lipid Bilayers. Nano Letters, (2013) 13, a Silylsilylene. Angewandte Chemie- S. A. Al-Jibori, N. A. Dayaaf, M. Y. Mohammed, 2351-2356. International Edition, (2013) 52, 568-571. K. Merzweiler, C. Wagner, G. Hogarth and M. G. Richmond, cis-trans Isomerism at S. Howorka, DNA Nanoarchitectonics: E. Hashem, A. N. Swinburne, C. Schulzke, Assembled DNA at Interfaces. Langmuir, Square-Planar MN2S2 Centers (M = Pd, R. C. Evans, J. A. Platts, A. Kerridge, L. Pt): Crystal Structures of N-Phenyl-N- (2013) 29, 7344-7353. S. Natrajan and R. J. Baker, Emission (2-Thiazoyl)Thiourea Complexes Trans- J Spectroscopy of Uranium(iv) Compounds: Pd(S2N3C10H8)(2) and Cis-Pt(S2N3C10H8) A Combined Synthetic, Spectroscopic and (2) and Density Functional Calculations. N. Acerbi, S. C. E. Tsang, G. Jones, S. Computational Study. Rsc Advances, (2013) Journal of Chemical Crystallography, (2013) Golunski and P. Collier, Rationalization 3, 4350-4361. 43, 365-372. of Interactions in Precious Metal/Ceria Catalysts Using the D-Band Center Model. A. Kerridge, A RASSCF Study of Free S. Ghosh, G. Hogarth, N. Hollingsworth, Angewandte Chemie-International Edition, Base, Magnesium and Zinc Porphyrins: K. B. Holt, I. Richards, M. G. Richmond, B. (2013) 52, 7737-7741. Accuracy Versus Efficiency. Physical E. Sanchez and D. Unwin, Models of the Chemistry Chemical Physics, (2013) 15, Iron-Only Hydrogenase: A Comparison of 2197-2209. Chelate and Bridge Isomers of Fe-2(CO) G. Jones and S. J. Jenkins, Water and Ammonia on Cu{110}: Comparative (4){Ph2PN(R)PPh2}(mu-pdt) as Proton- T. Vreven, L. M. Thompson, S. M. Larkin, I. Reduction Catalysts. Dalton Transactions, Structure and Bonding. Physical Chemistry Kirker and M. J. Bearpark, Deconstructing Chemical Physics, (2013) 15, 4785-4798. (2013) 42, 6775-6792. the Oniom Hessian: Investigating Method X. Lu, J. R. G. Evans and S. N. Heavens Combinations for Transition Structures. (2012) Ceramic domes fabricated by a M. I. Hossain, S. Ghosh, Journal of Chemical Theory and Computation, G. Hogarth combination of tape casting and vacuum and S. E. Kabir, Reactions of M-2(CO) forming, J. Eur. Ceram. Soc., 32, 681-687. (2012) 8, 4907-4914. (9)L (M = Re, Mn; L = CO, MeCN) with Thioacetamide and Thiobenzamide: Facile K B. Kaoui, T. Kruger and J. Harting, Complex Metal-Mediated Nitrogen-Hydrogen Bond Dynamics of a Bilamellar Vesicle as a Activation and Subsequent Carbon- M. P. Blake, N. Kaltsoyannis and P. Simple Model for Leukocytes. Soft Matter, Nitrogen or Sulfur-Sulfur Bond Formation. Mountford, Synthesis and Reactions of (2013) 9, 8057-8061. Journal of Organometallic Chemistry, (2013) Beta-Diketiminate-Supported Complexes with Mg-Fe or Yb-Fe Bonds. Chemical 737, 53-58. T. Kruger, S. Frijters, F. Gunther, B. Kaoui Communications, (2013) 49, 3315-3317. and J. Harting, Numerical Simulations of H. U. Islam, A. Roffey, N. Hollingsworth, R. Complex Fluid-Fluid Interface Dynamics. J. L. Brown, S. Fortier, G. Wu, Catlow, M. Wolthers, N. De Leeuw, W. Bras, N. Kaltsoyannis European Physical Journal-Special Topics, and T. W. Hayton, Synthesis and G. Sankar and G. Hogarth (2013). In Situ (2013) 222, 177-198. Spectroscopic and Computational XAS of the Solvothermal Decomposition Characterization of the Chalcogenido- of Dithiocarbamate Complexes. 15th M. V. Kuznetsov, Y. G. Morozov and O. V. Substituted Analogues of the Uranyl Ion, International Conference on X-Ray Belousova, Levitation Jet Synthesis of OUE (2+) (E = S, Se). Journal of the American Absorption Fine Structure. Z. Y. Wu. Bristol, Nickel Ferrite Nanoparticles. Inorganic Chemical Society, (2013) 135, 5352-5355. Iop Publishing Ltd. 430. Materials, (2012) 48, 1044-1051.

M. V. Kuznetsov, Y. G. Morozov and O. V. Belousova, Synthesis of Copper Ferrite Nanoparticles. Inorganic Materials, (2013) 49, 606-615.

UCL Chemistry NEWSLETTER 33 PUBLICATIONS

A. B. Jorge, D. J. Martin, M. T. S. Dhanoa, H. Pfeiffer, N. Chatziathanasiou, B. Verstraeten, L A. S. Rahman, N. Makwana, J. W. Tang, F. Meersman, C. Glorieux, K. Heremans A. Sella, F. Cora, S. Firth, J. A. Darr and P. and M. Wevers, In-situ Spectroscopic R. A. Sarmiento-Perez, L. M. Rodriguez- F. McMillan, H-2 and O-2 Evolution from Investigation of Ultrasonic Assisted Albelo, A. Gomez, M. Autie-Perez, D. W. Water Half-Splitting Reactions by Graphitic Unfolding and Aggregation of Insulin. Lewis and A. R. Ruiz-Salvador, Surprising Carbon Nitride Materials. Journal of Physical Biochimica Et Biophysica Acta-Proteins and Role of the BDC Organic Ligand in the Chemistry C, (2013) 117, 7178-7185. Proteomics, (2013) 1834, 336-341. Adsorption of CO2 by MOF-5. Microporous and Mesoporous Materials, (2012) 163, 186- F. Meersman, I. Daniel, D. H. Bartlett, R. T. A. Mellan and R. Grau-Crespo, Density 191. Winter, R. Hazael and P. F. McMillan. High- Functional Theory Study of Rutile VO2 Pressure Biochemistry and Biophysics. Surfaces. Journal of Chemical Physics, A. J. Logsdail and R. L. Johnston, Predicting Carbon in Earth. R. M. Hazen, A. P. Jones (2012) 137. the Optical Properties of Core-Shell and and J. A. Baross. Chantilly, Mineralogical Soc Janus Segregated Au-M Nanoparticles Amer. (2013) 75, 607-648. B. Bouchevreau, C. Martineau, C. Mellot- (M = Ag, Pd). Journal of Physical Chemistry Draznieks, A. Tuel, M. R. Suchomel, J. C, (2012) , 23616-23628. 116 A. D. G. Nunn, R. K. Strachan, S. Firth, E. Trebosc, O. Lafon, J. P. Amoureux and R. C. Draper, P. F. McMillan and J. Dudhia, F. Taulelle, High-Resolution Structural A. J. Logsdail, Z. Y. Li and R. L. Johnston, Faceting Preferences for Au-N and Pd-N Intra-Operative Mapping of Articular Characterization of Two Layered Nanoclusters with High-Symmetry Motifs. Cartilage Degeneration with Raman Aluminophosphates by Synchrotron Physical Chemistry Chemical Physics, (2013) Arthrospectroscopy. International Journal of Powder Diffraction and NMR 15, 8392-8400. Experimental Pathology, (2013) 94, A19-A20. Crystallographies. Chemistry of Materials, (2013) 25, 2227-2242. M A. Salamat, M. Deifallah, R. Q. Cabrera, F. Cora and P. F. McMillan, Identification R. Bou-Moreno, S. Luengo-Arratta, V. Pons S. R. Harvey, M. Porrini, C. Stachl, D. of New Pillared-Layered Carbon Nitride and W. B. Motherwell, New and Improved MacMillan, G. Zinzalla and P. E. Barran, Materials at High Pressure. Scientific Methods for the Conversion of Nitroalkanes Small-Molecule Inhibition of c-MYC:MAX Reports, (2013) 3. into Geminal Chloronitroso Compounds. Leucine Zipper Formation Is Revealed by Canadian Journal of Chemistry-Revue Ion Mobility Mass Spectrometry. Journal of A. Salamat, A. L. Hector, B. M. Gray, S. A. Canadienne De Chimie, (2013) 91, 6-12. the American Chemical Society, (2012) 134, J. Kimber, P. Bouvier and P. F. McMillan, 19384-19392. Synthesis of Tetragonal and Orthorhombic M. D. Roydhouse, W. B. Motherwell, A. Constantinou, A. Gavriilidis, R. Wheeler, K. Polymorphs of Hf3N4 by High- A. L. Adams and D. Macmillan, Investigation Pressure Annealing of a Prestructured Down and I. Campbell, Ozonolysis of Some of Peptide Thioester Formation Via N -> Se Nanocrystalline Precursor. Journal of the Complex Organic Substrates in Flow. Rsc Advances, (2013) , 5076-5082. Acyl Transfer. Journal of Peptide Science, American Chemical Society, (2013) 135, 3 (2013) 19, 65-73. 9503-9511. P B. Cowper, D. J. Craik and , D. Macmillan A. Salamat, A. L. Hector, P. Kroll and P. F. D. O. Scanlon, C. W. Dunnill, J. Buckeridge, Making Ends Meet: Chemically Mediated McMillan, Nitrogen-Rich Transition Metal S. A. Shevlin, A. J. Logsdail, S. M. Woodley, Circularization of Recombinant Proteins. Nitrides. Coordination Chemistry Reviews, C. R. A. Catlow, M. J. Powell, R. G. Palgrave, Chembiochem, (2013) , 809-812. 14 (2013) 257, 2063-2072. I. P. Parkin, G. W. Watson, T. W. Keal, P. Sherwood, A. Walsh and A. A. Sokol, Band P. Ferretti, U. K. Pong, B. Vagaska, R. A. Salamat, P. F. McMillan, S. Firth, K. Alignment of Rutile and Anatase TiO . Merchant, C. J. Matthews and C. M. 2 Woodhead, A. L. Hector, G. Garbarino, M. Nature Materials, (2013) 12, 798-801. Marson, Discovery of a Structurally C. Stennett and N. C. Hyatt, Structural Novel, Drug-Like and Potent Inhibitor Transformations and Disordering in K. Tschulik, R. G. Palgrave, C. Batchelor- of Peptidylarginine Deiminase. Zirconolite (CaZrTi2O7) at High Pressure. McAuley and R. G. Compton, ‘Sticky Medchemcomm, (2013) 4, 1109-1113. Inorganic Chemistry, (2013) 52, 1550-1558. Electrodes’ for the Detection of Silver Nanoparticles. Nanotechnology, (2013) 24. M. Ostovar and C. M. Marson, Enynone M. C. Wilding, M. Wilson, C. J. Benmore, J. Dihydroxylation-Cyclisation as a Route to K. R. Weber and P. F. McMillan, Structural J. D. Fletcher, M. A. Parkes and S. D. Price, Densely Functionalised 3(2H)-Furanone Changes in Supercooled Al2O3-Y2O3 Bond-Forming Reactions of Small Triply Derivatives: An Approach to the Core of Liquids. Physical Chemistry Chemical Charged Cations with Neutral Molecules. the Zaragozic Acids. Tetrahedron, (2013) Physics, (2013) 15, 8589-8605. Chemistry-a European Journal, (2013) 19, , 6639-6647. 69 10965-10970. G. Medard, (-)-Astrogorgiadiol: A Shorter S. Karkare, T. T. H. Chung, F. Collin, L. A. Route to a-Ring Synthon. Tetrahedron, J. D. Fletcher, M. A. Parkes and S. D. Price, Mitchenall, A. R. McKay, S. J. Greive, J. (2013) 69, 2348-2351. Electron Ionisation of Sulfur Dioxide. J. M. Meyer, N. Lall and A. Maxwell, The Journal of Chemical Physics, (2013) 138. Naphthoquinone Diospyrin Is an Inhibitor K. Idakieva, Y. Raynova, F. Meersman of DNA Gyrase with a Novel Mechanism and C. Gielens, Phenoloxidase Activity D. S. Bhachu, G. Sankar and I. P. Parkin, of Action. Journal of Biological Chemistry, and Thermostability of Cancer Pagurus Aerosol Assisted Chemical Vapor (2013) 288, 5149-5156. and Limulus Polyphemus Hemocyanin. Deposition of Transparent Conductive Zinc Comparative Biochemistry and Physiology Oxide Films. Chemistry of Materials, (2012) S. Derenne, C. Coelho, C. Anquetil, C. Szopa, B-Biochemistry & Molecular Biology, (2013) 24, 4704-4710. A. S. Rahman, P. F. McMillan, F. Cora, C. J. 164, 201-209. Pickard, E. Quirico and C. Bonhomme, New Insights into the Structure and Chemistry of Titan’s Tholins via C-13 and N-15 Solid State Nuclear Magnetic Resonance Spectroscopy. Icarus, (2012) 221, 844-853.

34 UCL Chemistry NEWSLETTER PUBLICATIONS

A. Kafizas, C. J. Carmalt andI. P. Parkin, N. Noor and I. P. Parkin, Halide Doping J. C. Anderson, A. S. Kalogirou, M. J. Does a Photocatalytic Synergy in an Effects on Transparent Conducting Oxides Porter and G. J. Tizzard, Synthesis of the

Anatase-Rutile TiO2 Composite Thin-Film Formed by Aerosol Assisted Chemical Reported Structure of Piperazirum Using Exist?, Chemistry-a European Journal, Vapour Deposition. Thin Solid Films, (2013) a Nitro-Mannich Reaction as the Key (2012) 18, 13048-13058. 532, 26-30. Stereochemical Determining Step. Beilstein Journal of Organic Chemistry, (2013) 9. D. S. Bhachu, A. J. Smith, I. P. Parkin, A. J. C. O’Keeffe, P. Gannon, P. Gilson, A. Kafizas, Dent and G. Sankar, Zeolite Films: A New I. P. Parkin and R. Binions, Air Purification S. Islam, J. A. Aguilar, M. W. Powner, M. Synthetic Approach. Journal of Materials by Heterogeneous Photocatalytic Nilsson, G. A. Morris and J. D. Sutherland, Chemistry A, (2013) 1, 1388-1393. Oxidation with Multi-Doped Thin Film Detection of Potential TNA and RNA Titanium Dioxide. Thin Solid Films, (2013) Nucleoside Precursors in a Prebiotic C. R. Crick, J. C. Bear, P. Southern and 537, 131-136. Mixture by Pure Shift Diffusion-Ordered I. P. Parkin, A General Method for the NMR Spectroscopy. Chemistry-a European Incorporation of Nanoparticles into W. J. Peveler, R. Binions, S. M. V. Hailes and Journal, (2013) 19, 4586-4595 Superhydrophobic Films by Aerosol I. P. Parkin, Detection of Explosive Markers Assisted Chemical Vapour Deposition. Using Zeolite Modified Gas Sensors. R. M. Bhardwaj, L. S. Price, S. L. Price, S. M. Journal of Materials Chemistry A, (2013) 1, Journal of Materials Chemistry A, (2013) 1, Reutzel-Edens, G. J. Miller, I. D. H. Oswald, 4336-4344. 2613-2620. B. F. Johnston and A. J. Florence, Exploring the Experimental and Computed Crystal M. C. Draper, C. R. Crick, V. Orlickaite, M. J. Powell and I. P. Parkin. Titania Coated Energy Landscape of Olanzapine. Crystal V. A. Turek, I. P. Parkin and J. B. Edel, Mica via Chemical Vapour Deposition, Post Growth & Design, (2013) 13, 1602-1617. Superhydrophobic Surfaces as an on- N-Doped by Liquid Ammonia Treatment. Chip Microfluidic Toolkit for Total Droplet Nineteenth European Conference on D. E. Braun, R. M. Bhardwaj, A. J. Florence, Control. Analytical Chemistry, (2013) 85, Chemical Vapor Deposition. F. Maury, K. D. A. Tocher and S. L. Price, Complex 5405-5410. Gesheva, P. Hoffmann and G. Malandrino. Polymorphic System of Gallic Acid-Five Amsterdam, Elsevier Science Bv. (2013) 46, Monohydrates, Three Anhydrates, and A. Kafizas, C. J. Carmalt andI. P. Parkin, 111-117. over 20 Solvates. Crystal Growth & Design, CVD and Precursor Chemistry of (2013) 13, 19-23. Transition Metal Nitrides. Coordination D. O. Scanlon, C. W. Dunnill, J. Buckeridge, Chemistry Reviews, (2013) 257, 2073-2119. S. A. Shevlin, A. J. Logsdail, S. M. Woodley, S. Z. Ismail, C. L. Anderton, R. C. B. Copley, C. R. A. Catlow, M. J. Powell, R. G. Palgrave, L. S. Price and S. L. Price, Evaluating a A. Kafizas, S. A. Parry, A. V. Chadwick, C. I. P. Parkin, G. W. Watson, T. W. Keal, P. Crystal Energy Landscape in the Context J. Carmalt and I. P. Parkin, An EXAFS Sherwood, A. Walsh and A. A. Sokol, Band of Industrial Polymorph Screening. Crystal

Study on the Photo-Assisted Growth of Alignment of Rutile and Anatase TiO2. Growth & Design, (2013) 13, 2396-2406. Silver Nanoparticles on Titanium Dioxide Nature Materials, (2013) 12, 798-801. Thin-Films and the Identification of Their S. L. Price, Why Don’t We Find More Photochromic States. Physical Chemistry L. Shi, A. J. T. Naik, J. B. M. Goodall, C. Polymorphs?, Acta Crystallographica Section Chemical Physics, (2013) 15, 8254-8263. Tighe, R. Gruar, R. Binions, I. Parkin and J. B-Structural Science, (2013) 69, 313-328. Darr, Highly Sensitive ZnO Nanorod- and

H. Kitching, M. J. Shiers, A. J. Kenyon and Nanoprism-Based NO2 Gas Sensors: Size A. Occhiogrosso, S. Viti, M. D. Ward and S. D.

I. P. Parkin, Self-Assembly of Metallic and Shape Control Using a Continuous Price, Modelling of c-C2H4O Formation on Nanoparticles into One Dimensional Hydrothermal Pilot Plant. Langmuir, (2013) Grain Surfaces. Monthly Notices of the Royal Arrays. Journal of Materials Chemistry A, 29, 10603-10609. Astronomical Society, (2012) 427, 2450-2456. (2013) 1, 6985-6999. T. Thomas, C. S. Blackman, I. P. Parkin M. D. Ward, I. A. Hogg and S. D. Price, P. Marchand, I. A. Hassan, I. P. Parkin and and C. J. Carmalt, Atmospheric Pressure Thermal Reactions of Oxygen Atoms with

C. J. Carmalt, Aerosol-Assisted Delivery Chemical Vapour Deposition of Vanadium CS2 at Low Temperatures on Interstellar of Precursors for Chemical Vapour Arsenide Thin Films via the Reaction of Dust. Monthly Notices of the Royal

Deposition: Expanding the Scope of VCl4 or VOCl3 with (BuAsH2)-Bu-t. Thin Solid Astronomical Society, (2012) 425, 1264-1269. CVD for Materials Fabrication. Dalton Films, (2013) 537, 171-175. Transactions, (2013) 42, 9406-9422. O. Dutuit, N. Carrasco, R. Thissen, V. Vuitton, C. M. A. Uppal, A. Kafizas, M. B. Ewing andI. P. Alcaraz, P. Pernot, N. Balucani, Y. G. Morozov, D. Ortega, O. V. Belousova, Parkin, The Room Temperature Formation P. Casavecchia, A. Canosa, S. Le Picard, I. P. Parkin and M. V. Kuznetsov, Some of Gold Nanoparticles from the Reaction J. C. Loison, Z. Herman, J. Zabka, D. Ascenzi, Peculiarities in the Magnetic Behavior of of Cyclohexanone and Auric Acid; a P. Tosi, P. Franceschi, S. D. Price and Aerosol Generated NiO Nanoparticles. Transition from Dendritic Particles to P. Lavvas, Critical Review of N, N+, Journal of Alloys and Compounds, (2013) Compact Shapes and Nanoplates. Journal N-2(+), N++, and N-2(++) Main Production 572, 150-157. of Materials Chemistry A, (2013) 1, 7351- Processes and Reactions of Relevance to 7359. Titan’s Atmosphere. Astrophysical Journal S. Noimark, C. W. Dunnill and I. P. Parkin, Supplement Series, (2013) 204. Shining Light on Materials - a Self- M. Wilkinson, A. Kafizas, S. M. Bawaked, A. Sterilising Revolution. Advanced Drug Y. Obaid, S. A. Al-Thabaiti, S. N. Basahel, C. J. D. Fletcher, M. A. Parkes and S. D. Price, Delivery Reviews, (2013) 65, 570-580. J. Carmalt and I. P. Parkin, Combinatorial Bond-Forming Reactions of Small Triply Atmospheric Pressure Chemical Vapor Charged Cations with Neutral Molecules.

N. Noor and I. P. Parkin, Enhanced Deposition of Graded TiO2-VO2 Mixed- Chemistry-a European Journal, (2013) 19, Transparent-Conducting Fluorine-Doped Phase Composites and Their Dual 10965-10970. Tin Oxide Films Formed by Aerosol- Functional Property as Self-Cleaning and Assisted Chemical Vapour Deposition. Photochromic Window Coatings. Acs J. D. Fletcher, M. A. Parkes and S. D. Price, Journal of Materials Chemistry C, (2013) 1, Combinatorial Science, (2013) 15, 309-319. Electron Ionisation of Sulfur Dioxide. 984-996. Journal of Chemical Physics, (2013) 138.

UCL Chemistry NEWSLETTER 35 PUBLICATIONS

R M. Martis, K. Mori, K. Kato, G. Sankar and P. R. L. Keating, D. O. Scanlon and D. Macmillan, A. Adams and B. Premdjee P. H. Yamashita, What Are the Active Species G. W. Watson, Computational Testing of D. Rakowska, H. B. Jiang, S. Ray, A. Pyne, in the Photoinduced H2 Production Trivalent Dopants in CeO2 for Improved B. Lamarre, M. Carr, P. J. Judge, J. Ravi, U. with Terpyridyl Pt(II) Complexes? High-Kappa Dielectric Behaviour. Journal I. M. Gerling, B. Koksch, G. J. Martyna, B. An Investigation by In Situ XAFS. of Materials Chemistry C, (2013) 1, 1093-1098. W. Hoogenboom, A. Watts, J. Crain, C. R. M. Chemphyschem, (2013) 14, 1122-1125. Grovenor and M. G. Ryadnov, Nanoscale A. B. Kehoe, D. J. Temple, G. W. Watson Imaging Reveals Laterally Expanding V. Martis, R. Oldman, R. Anderson, M. Fowles, and D. O. Scanlon, Cu(3)MCH(3) (M = Sb, Antimicrobial Pores in Lipid Bilayers. T. Hyde, R. Smith, S. Nikitenko, W. Bras and Bi; CH = S, Se) as Candidate Solar Cell Proceedings of the National Academy of G. Sankar, Structure and Speciation of Absorbers: Insights from Theory. Physical Sciences of the United States of America, Chromium Ions in Chromium Doped Fe O Chemistry Chemical Physics, (2013) 15, (2013) 110, 8918-8923. 2 3 Catalysts. Physical Chemistry Chemical 15477-15484. S Physics, (2013) 15, 168-175. L. F. J. Piper, N. F. Quackenbush, S. Sallis, T. F. Whale, S. J. Clark, J. L. Finney and C. M. Martis, A. J. Smith, C. Tang, J. E. Parker, D. O. Scanlon, G. W. Watson, K. W. Nam, G. Salzmann, DFT-Assisted Interpretation T. I. Hyde, M. J. Watson, X. Baucherel, X. Q. Yang, K. E. Smith, F. Omenya, N. of the Raman Spectra of Hydrogen- S. Kohara, T. Wakihara and G. Sankar, A. Chernova and M. S. Whittingham, Ordered Ice XV. Journal of Raman Tracking the Structural Changes in Elucidating the Nature of Pseudo Jahn-

Spectroscopy, (2013) 44, 290-298. Pure and Heteroatom Substituted Teller Distortions in LixMnPO4: Combining Aluminophosphate, AIPO-18, Using Density Functional Theory with Soft and S. J. Alexander, T. Lin, D. J. L. Brett, J. R. G. Synchrotron Based X-Ray Diffraction Hard X-Ray Spectroscopy. Journal of Evans, G. Cibin, A. Dent, G. Sankar and J. Techniques. Physical Chemistry Chemical Physical Chemistry C, (2013) 117, 10383- A. Darr, A Combinatorial Nanoprecursor Physics, (2013) 15, 11766-11774. 10396. Route for Direct Solid State Chemistry: Discovery and Electronic Properties of A. Peeters, P. Valvekens, R. Ameloot, N. F. Quackenbush, J. P. Allen, D. O. Scanlon, New Iron-Doped Lanthanum Nickelates G. Sankar, C. E. A. Kirschhock and D. E. S. Sallis, J. A. Hewlett, A. S. Nandur, B. Chen,

up to La4Ni2FeO10-delta. Solid State Ionics, De Vos, Zn-Co Double Metal Cyanides K. E. Smith, C. Weiland, D. A. Fischer, (2012) 225, 176-181. as Heterogeneous Catalysts for J. C. Woicik, B. E. White, G. W. Watson Hydroamination: A Structure-Activity and L. F. J. Piper, Origin of the Bipolar D. S. Bhachu, G. Sankar and I. P. Parkin, Relationship. Acs Catalysis, (2013) 3, 597-607. Doping Behavior of SnO from X-Ray Aerosol Assisted Chemical Vapor Spectroscopy and Density Functional Deposition of Transparent Conductive J. Sassmannshausen, J. Klett, A. R. Kennedy, Theory. Chemistry of Materials, (2013) 25, Zinc Oxide Films. Chemistry of Materials, J. A. Parkinson and D. Armstrong, Taming 3114-3123.

(2012) 24, 4704-4710. the Shrew: TMEDALi-Zn(C2H4)(2)L as a Model Compound for Anionic Ethene S. Sallis, D. O. Scanlon, S. C. Chae, N. F. C. Kongmark, R. Coulter, S. Cristol, A. Rubbens, Polymerisation. New Journal of Chemistry, Quackenbush, D. A. Fischer, J. C. Woicik, C. Pirovano, A. Lofberg, G. Sankar, W. van (2013) 37, 494-501. J. H. Guo, S. W. Cheong and L. F. J. Piper,

Beek, E. Bordes-Richard and R. N. Vannier, La-Doped BaSnO­3-Degenerate Perovskite A Comprehensive Scenario of the Crystal J. P. Bosco, D. O. Scanlon, G. W. Watson, Transparent Conducting Oxide: Evidence

Growth of Gamma-Bi2MoO6 Catalyst N. S. Lewis and H. A. Atwater, Energy-Band from Synchrotron X-Ray Spectroscopy.

During Hydrothermal Synthesis. Crystal Alignment of II-VI/Zn3P2 Heterojunctions Applied Physics Letters, (2013) 103. Growth & Design, (2012) 12, 5994-6003. from X-Ray Photoemission Spectroscopy. Journal of Applied Physics, (2013) 113. D. O. Scanlon, Defect Engineering of

D. S. Bhachu, A. J. Smith, I. P. Parkin, A. J. BaSnO­3 for High-Performance Transparent Dent and G. Sankar, Zeolite Films: A New J. Buckeridge, D. O. Scanlon, A. Walsh, C. Conducting Oxide Applications. Physical Synthetic Approach. Journal of Materials R. A. Catlow and A. A. Sokol, Dynamical Review B, (2013) 87. Chemistry A, (2013) 1, 1388-1393. Response and Instability in Ceria under Lattice Expansion. Physical Review B, D. O. Scanlon, C. W. Dunnill, J. Buckeridge, T. Daley, E. Raj, S. Ramos, G. Cibin, A. Dent, (2013) 87. S. A. Shevlin, A. J. Logsdail, S. M. Woodley, T. I. Hyde and G. Sankar. Tracking the C. R. A. Catlow, M. J. Powell, R. G. Palgrave, Formation of Nano-Sized Zinc Oxide from B. Chen, J. Laverock, L. F. J. Piper, A. R. H. I. P. Parkin, G. W. Watson, T. W. Keal, P. Zinc Peroxide by In Situ XAS and XRD. Preston, S. W. Cho, A. DeMasi, K. E. Smith, Sherwood, A. Walsh and A. A. Sokol, Band

15th International Conference on X-Ray D. O. Scanlon, G. W. Watson, R. G. Egdell, Alignment of Rutile and Anatase TiO2. Absorption Fine Structure. Z. Y. Wu. Bristol, P. A. Glans and J. H. Guo, The Band Nature Materials, (2013) 12, 798-801.

Iop Publishing Ltd. (2013) 430. Structure of WO3 and Non-Rigid-Band

Behaviour in Na0.67WO3 Derived from A. Walsh, A. B. Kehoe, D. J. Temple, G. W. H. U. Islam, A. Roffey, N. Hollingsworth, Soft X-Ray Spectroscopy and Density Watson and D. O. Scanlon, PbO2: From R. Catlow, M. Wolthers, N. De Leeuw, W. Functional Theory. Journal of Physics- Semi-Metal to Transparent Conducting Bras, G. Sankar and G. Hogarth. In Situ Condensed Matter, (2013) 25. Oxide by Defect Chemistry Control. XAS of the Solvothermal Decomposition Chemical Communications, (2013) 49, 448-450. of Dithiocarbamate Complexes. 15th N. Feldberg, J. D. Aldous, W. M. Linhart, L. International Conference on X-Ray J. Phillips, K. Durose, P. A. Stampe, R. J. A. Walsh and D. O. Scanlon, Electron Absorption Fine Structure. Z. Y. Wu. Bristol, Kennedy, D. O. Scanlon, G. Vardar, R. L. Disclaimer:Excess in Alkaline This Information Earth Sub-Nitrides: was gathered 2D Iop Publishing Ltd. (2013) 430. Field, T. Y. Jen, R. S. Goldman, T. D. Veal fromElectron the UCL Gas data or 3D base Electride? IRIS and, Journalwas to the of and S. M. Durbin, Growth, Disorder, and bestMaterials of our Chemistry knowledge C, correct (2013) at 1 ,time 3525-3528. of print.

J. Keating, G. Sankar, T. I. Hyde, S. Kohara Physical Properties of ZnSnN2. Applied and K. Ohara, Elucidation of Structure Physics Letters, (2013) 103. and Nature of the PdO-Pd Transformation Using In Situ PDF and XAS Techniques. Physical Chemistry Chemical Physics, (2013) 15, 8555-8565.

36 UCL Chemistry NEWSLETTER PUBLICATIONS

A. B. Jorge, D. J. Martin, M. T. S. Dhanoa, A. K. Azuma, C. Dover, D. C. Grinter, R. Grau- H. Wu, M. Habgood, J. E. Parker, N. Reeves- S. Rahman, N. Makwana, J. W. Tang, Crespo, N. Almora-Barrios, G. Thornton, McLaren, J. K. Cockcroft, M. Vickers, A. R. A. Sella, F. Cora, S. Firth, J. A. Darr and T. Oda and S. Tanaka, Scanning Tunneling West and A. G. Jones, Crystal Structure P. F. McMillan, H-2 and O-2 Evolution Microscopy and Molecular Dynamics Determination by Combined Synchrotron from Water Half-Splitting Reactions by Study of the Li TiO (001) Surface. Journal of Powder X-Ray Diffraction and Crystal 2 3 Structure Prediction: 1: 1 L-Ephedrine Graphitic Carbon Nitride Materials. Journal Physical Chemistry C, (2013) 117, 5126-5131. D-Tartrate. Crystengcomm, (2013) 15, 1853- of Physical Chemistry C, (2013) 117, 7178-7185. 1859. S. Carenco, A. Tuxen, M. Chintapalli, E. Pach, P. Starkov, F. Rota, J. M. D’Oyley and T. C. Escudero, T. D. Ewers, P. Jiang, W D. Sheppard, Catalytic Electrophilic F. Borondics, G. Thornton, A. P. Alivisatos, Halogenation of Silyl-Protected and H. Bluhm, J. H. Guo and M. Salmeron, S. Z. Wan and P. V. Coveney, Regulation Terminal Alkynes: Trapping Gold(I) Dealloying of Cobalt from CuCo of JAK2 Activation by Janus Homology Acetylides vs. A Bronsted Acid-Promoted Nanoparticles under Syngas Exposure. 2: Evidence from Molecular Dynamics Reaction. Advanced Synthesis & Catalysis, Journal of Physical Chemistry C, (2013) 117, Simulations. Journal of Chemical Information (2012) 354, 3217-3224. 6259-6266. and Modeling, (2012) 52, 2992-3000.

R. M. Lanigan, P. Starkov and T. D. Sheppard, D. C. Grinter, C. M. Yim, C. L. Pang, B. Santos, S. Z. Wan, D. W. Wright and P. V. Coveney, Direct Synthesis of Amides from T. O. Mentes, A. Locatelli and G. Thornton, Mechanism of Drug Efficacy within the Carboxylic Acids and Amines Using Oxidation State Imaging of Ceria Island EGF Receptor Revealed by Microsecond

B(OCH2CF3)(3). Journal of Organic Chemistry, Growth on Re(0001). Journal of Physical Molecular Dynamics Simulation. Molecular (2013) 78, 4512-4523. Chemistry C, (2013) 117, 16509-16514. Cancer Therapeutics, (2012) 11, 2394-2400.

V. J. Gray, B. Slater and J. D. Wilden, J. Matharu, G. Cabailh and G. Thornton, V. J. Gray, B. Slater and J. D. Wilden,

Transition-Metal-Free Synthesis of Aryl- Synthesis of TiO2(110) Ultra-Thin Films Transition-Metal-Free Synthesis of Aryl-

Substituted Tert-Butyl Ynol Ethers through on W(100) and Their Reactions with H2O. Substituted Tert-Butyl Ynol Ethers through Addition/Elimination Substitution at an Surface Science, (2013) 616, 198-205. Addition/Elimination Substitution at an sp Centre. Chemistry-a European Journal, sp Centre. Chemistry-a European Journal, (2012) 18, 15582-15585. C. L. Pang, R. Lindsay and G. Thornton, (2012) 18, 15582-15585. Structure of Clean and Adsorbate-Covered

Z. Liu, N. Fujita, K. Miyasaka, L. Han, S. M. Single-Crystal Rutile TiO2 Surfaces. B. Bernu, C. Lhuillier, E. Kermarrec, F. Bert, Stevens, M. Suga, S. Asahina, B. Slater, Chemical Reviews, (2013) 113, 3887-3948. P. Mendels, R. H. Colman and A. S. Wills, C. H. Xiao, Y. Sakamoto, M. W. Anderson, Exchange Energies of Kapellasite from R. Ryoo and O. Terasaki, A Review of Fine A. Tuxen, S. Carenco, M. Chintapalli, C. H. High-Temperature Series Analysis of the Structures of Nanoporous Materials as Chuang, C. Escudero, E. Pach, P. Jiang, Kagome Lattice J(1)-J(2)-J(D)-Heisenberg Evidenced by Microscopic Methods. F. Borondics, B. Beberwyck, A. P. Alivisatos, Model. Physical Review B, (2013) 87. Journal of Electron Microscopy, (2013) 62, G. Thornton, W. F. Pong, J. H. Guo, R. Perez, 109-146. F. Besenbacher and M. Salmeron, Size- Z. Gercsi, E. K. Delczeg-Czirjak, L. Vitos, Dependent Dissociation of Carbon A. S. Wills, A. Daoud-Aladine and K. G. T Monoxide on Cobalt Nanoparticles. Journal Sandeman, Magnetoelastic Effects in

of the American Chemical Society, (2013) Doped Fe2P. Physical Review B, (2013) 88. G. D. Kenny, C. Villegas-Llerena, A. D. 135, 2273-2278. Tagalakis, F. Campbell, K. Welser, M. Botta, H. U. Islam, A. Roffey, N. Hollingsworth, R. A. B. Tabor, H. C. Hailes, M. F. Lythgoe J. K. Christie and A. Tilocca, Molecular Catlow, M. Wolthers, N. De Leeuw, W. Bras, and S. L. Hart, Multifunctional Receptor- Dynamics Simulations and Structural G. Sankar and G. Hogarth (2013). In Situ Targeted Nanocomplexes for Magnetic Descriptors of Radioisotope Glass Vectors XAS of the Solvothermal Decomposition of Dithiocarbamate Complexes. 15th Resonance Imaging and Transfection of for In Situ Radiotherapy. Journal of Physical International Conference on X-Ray Absorption Chemistry B, (2012) , 12614-12620. Tumours. Biomaterials, (2012) 33, 7241-7250. 116 Fine Structure. Z. Y. Wu. Bristol, Iop Publishing Ltd. 430. N. Mitchell, T. L. Kalber, M. S. Cooper, A. Goel, S. Kapoor, A. Tilocca, R. R. Rajagopal K. Sunassee, S. L. Chalker, K. P. Shaw, and J. M. F. Ferreira, Structural Role of Zinc Z K. L. Ordidge, A. Badar, S. M. Janes, P. J. in Biodegradation of Alkali-Free Bioactive Blower, M. F. Lythgoe, H. C. Hailes and A. Glasses. Journal of Materials Chemistry B, M. A. Zwijnenburg, Elucidating the B. Tabor, Incorporation of Paramagnetic, (2013) 1, 3073-3082. Microscopic Origin of the Unique Optical Fluorescent and PET/SPECT Contrast Properties of Polypyrene. Journal of Physical Agents into Liposomes for Multimodal D. E. Braun, R. M. Bhardwaj, A. J. Florence, Chemistry C, (2012) 116, 20191-20198. Imaging. Biomaterials, (2013) 34, 1179-1192. D. A. Tocher and S. L. Price, Complex Polymorphic System of Gallic Acid-Five M. A. Zwijnenburg, F. Illas and S. T. Bromley, K. Welser, F. Campbell, L. Kudsiova, Monohydrates, Three Anhydrates, and Long Range Coupling between Defect A. Mohammadi, N. Dawson, S. L. Hart, D. over 20 Solvates. Crystal Growth & Design, Centres in Inorganic Nanostructures: (2013) 13, 19-23. J. Barlow, H. C. Hailes, M. J. Lawrence and Valence Alternation Pairs in Nanoscale A. B. Tabor, Gene Delivery Using Ternary V Silica. Journal of Chemical Physics, (2012) 137. Lipopolyplexes Incorporating Branched Cationic Peptides: The Role of Peptide M. Z. Sialvi, R. J. Mortimer, G. D. Wilcox, A. E. Berardo, H. S. Hu, K. Kowalski and M. A. Sequence and Branching. Molecular M. Teridi, T. S. Varley, K. G. U. Wijayantha Zwijnenburg, Coupled Cluster Calculations Pharmaceutics, (2013) 10, 127-141. and C. A. Kirk, Electrochromic and on TiO2 Nanoclusters. Journal of Chemical Colorimetric Properties of Nickel(II) Oxide Physics, (2013) 139. Thin Films Prepared by Aerosol-Assisted Chemical Vapor Deposition. Acs Applied M. A. Zwijnenburg, Excited State Materials & Interfaces, (2013) 5, 5675-5682. Localisation Cascades in Inorganic Semiconductor Nanoparticles. Physical Chemistry Chemical Physics, (2013) 15, 11119-11127.

UCL Chemistry NEWSLETTER 37 STAFF

Ramsay Fellow: Research Associates:

Staff A. Roldan Martinez D. Bhachu Departmental Structure D.O. Scanlon C. Butchosa Robles N. Dimitatos Head of Department: RSURF: F. Foglia I.P. Parkin A. Tilocca S. Gadipelli C. Ireland Deputy Head of Department Research Associates: C. Knapp (Research): M. Bernabeu R. Quesada Cabrera N.H. de Leeuw J. Buckeridge Y. Wang J. Christie P. Wells Deputy Head of Department N. Das X. Zhang (Teaching): M. Farrow S.T. Banks D. Groen Lab Manager and Senior J. Jaros Research Associate: Deputy Head of Department B. Jefferys M. Vickers (Administration): T. Krueger D.A. Tocher J. Lewis Computational & Materials A. Logsdail Inorganic PhD Students: Head of Physical Chemistry & H. Martin A. Adedigba., R. Ainsworth., A. Alotaibi., Chemical Physics Section: M. Mercy Z. Ansari., A. Anwar., N. Baba., H.H. Fielding A. Mishra M. R. Baber., J. Bear., M. Bem., F. Musso L. Bennett., E. Berardo., D. Bhachu., Head of Materials and Inorganic R. Nash M. Billing., B. Blackburn., S. Bradley., Chemistry Section: L. Shamardin R. Briggs., A. S. Butt., A. Cadi Eddadek., C.J. Carmalt S. Shevlin P. Carmichael., N. Chadwick., N. Shublaq C. K. T. Chew., T. A. Collier., Head of Organic Chemistry & C. Skipper N. Constantino., C. Cooper., J. Cottom., Chemical Biology Section: A. Sokols J. Crane., A. Cross., M. Cutler., J.C. Anderson J. Suter T. Daley., S. Daraszewicz., U. Terranova R. D. W. Darkins., D. Deacon-Smith., S. Wan F. Di Maggio., O. Dicks., S. Dite., Computational D. Wright C. Downing., N. Dzade., C. Edusi., J. Ellis., A. K. Estamdarte., C. Fare., Chemistry M. Fields., F. Forouzan., S. Ghosh., Professors: Materials & Inorganic E. Glover., I. J. Godfrey., A. Gould., C.R.A. Catlow Chemistry G. Gregori., P. Guiglion., S. Haider., P.V. Coveney M. Halliday., X. Han., T. Harris., N.H. de Leeuw Professors: B. Hashemi-Ahmady., I. A. Hassan., N. Kaltsoyannis C.J. Carmalt C. Hunston., H. Islam., A. Jensen., S. L. Price J.A. Darr J., Keating., G. Khara., P. Kiri., J.R.G. Evans H. Kitching., E. Krizek., H. Lancashire., Readers and Senior Lecturers: Z.X. Guo R. Leech., M. Ling., N. J. Logan., H. Luo., R.G. Bell P.F. McMillan C. Lynch., N. Makwana., J. Malik., F. Cora I.P. Parkin A. Mantalidi., J. A. Manzi., P. Marchand., D.W. Lewis G. Sankar H. Marchbank., T. A. Mellan., R. Mitchell., B. Slater A. Sella M. Monteforte., D. Mora Fonz., D.A. Tocher H. Morgan Stewart., S. Y. Mujahed., Lecturers: A. Naik., C. Nash., A. Nathanson., R. Grau Crespo Readers and Senior Lectures: N. Nazarudin., E. Newton., S. Noimark., M. Zwijnenburg J.K. Cockcroft N. Noor., A. J. O’Malley., P. Pelekanaki., G. Hogarth W. Pevelar., M. J. Powell. A. Pyne., Royal Society Industrial Fellow: K. Qiu., K. Rigby., B. W. Robinson., G. Jones Lecturers: A. Roffey., S. E. Ruiz Hernandez., D. Di Tommaso C. Blackman S. Sanchez., D. Santos Carballal., R. Palgrave S. Sarabadani Tafreshi., R. Sarip., S. Sathasivam., T. Shi., A. E. Sheilds., NERC Fellow: A, Smith., I. Sugden., J. Swadling., M. Wolthers EPSRC Fellow: A. Beale F. Tao., C. Taylor., M. Tillotson., W. Travis. F. Tunali., M. Uppal. EPSRC Fellow: C. S. Vazquez., M. Warwick., A. Kerridge Ramsay Fellow: C. Dunnill M.C.C. Wobbe., O. Y. Wu., K. Xuereb., C. S. Yang., J. L. R. Yates., B. J. Zhu

38 UCL Chemistry NEWSLETTER STAFF

Organic Chemistry & Physical Chemistry & O. Uzoh,, L. Wang., M. K. Ward., R. Watson., J. Wellington., M. C. Whelan., Chemical Biology Chemical Physics T, Woolcot., S, Zakaria Professors: Professors: J.C. Anderson G. Battaglia Teaching S. Caddick M.B. Ewing H.C. Hailes H.H. Fielding Director of Postgraduate Studies: C.M. Marson F.L. Gervasio H. C. Hailes A. B. Tabor S. D. Price G. Thornton Director of Teaching and Learning: Readers and Senior Lecturers: A.S. Wills S. Howorka Readers and Senior Lecturers: M.J. Porter D.J. Caruana Departmental Tutor: D.M. Rowley S.T. Banks Lecturers: A.S. Wills E. Arstad Director of Laboratories: J. Baker Lecturers: G. Hogarth H. Bronstein M. Blunt M. Powner C. Hirjibehedin EngD Coordinator: T. Sheppard K.B. Holt Z. Du J. Wilden A. Michaelides C. Salzmann MSc Coordinator: Visiting Professor: S. Woodley C. Blackman F. King Senior Teaching Fellow: Undergraduate Admissions Tutor: S.T. Banks Research Associates: D.W. Lewis L. Benhamou F. Campbell Marie Curie Fellow: B. Cowper K.Marino Technical Staff R. Morgan J. Nunes Research Associates: Classroom Manager: S. Stairs D. Cecchin P. Hayes C. Ennis Lab Manager and Senior D. Grinter Classroom Technician: Research Associate: L. Guan D. Webb H. Grounds L. Ruiz-Perez T. Varley Computing Officers: Lab Manager and Senior T. Xiaohe D. Ladd Research Associate: O. Yim J. Sassmanshausen M. E. B. Smith Y. Zhang L. Willoughby

Lab Manager and Senior Electronics Officer: PhD Students: Research Associate: A. Akhbar., F. Bellany., A. Bour., J.A. Bernard C. Pang S. Chalker., J. Chavda., L. Chierico., M. Chowdhury., A. J. Coggins., EM Technician: Lab Manager and Senior J. Cuthbertson., P. Dhankher., J. D’Oyley., S. Firth Research Associate: A. Ertbjerg., R. W. Foster., G. Fullstone., M. Parkes E. S. J. Gadcoigne., S, Gibson., Glassblower: V. Gray., R. Huckvale., A. Kalogirou., M. Williams E. Kerr., R. Kerr., E. Knight., P. Koovits., PhD Students: J. Cowley Y. Al-Hamdani., D. Boldrin., M. Kukwikila., R. Lanigan., Y. Luo., C. M. Brooks-Bartlett., M. Calleja., S. Cox., Marculescu Panea., A. Maruani., Instrument Workshop Technician: G. B. Davies., P. Di Pietro., Y. V. Ebashi., C. Matthews., S. Mitchell., A. Mohammadi., T. Bridges A. Elahi., T. Eriosho., J. Fletcher., R. Nathani., A. Nikmal., S. Nyberg., T. G. Gill., G. Graziano., M. Hoque., M. Pannell., B. Premdjee., P. Rakowska., Microanalysis Technician: M, Hirani., Y. Hu., Q. Huang., H. Hussain., S. Reeves., D. Richards., E. Robinson., G. Maxwell R. Hylton., H. J. Kimber., O. Kirkby., A. Roupany., L. Shariff., D. Steadman., I. Kirker., M. Li., M. Lounasvuori., T. M. Tran., R. Turner., T. Waugh., NMR Manager: C. Mackenzie Dover., A. Mellor., Z. Wright., K. C. Yau., E. Yiannaki., A.E. Aliev R. Molto Pallares., C. Mooney., J., Youziel L. Parshotam., D. Payne., F. Puletti., Senior Classroom Technician: M, Rosillo-Lopez., J. M. Rudman., C. Medley B. Shaw., R. Spesyvtsev., G. Tocci.,

UCL Chemistry NEWSLETTER 39 STAFF

Senior Instrument Technician/ Emeritus Staff Buildings Manager: M. H. Abraham J. Nolan J. E. Anderson R. J. H. Clark Safety Officer: A. G. Davies I. D. Watts P. Day A. Deeming Storekeeper/Purchasing Officer: C. R. Ganellin T. Field P. J. Garratt M. Johnson Workshop Manager: W. Motherwell R. Gollay F. Pearce J. H. Ridd Workshop Technicians: B. Roberts J. Stevenson P. Smith S. Walmsley Professional Services

Assistant Administrator (Finance): N. Smith

Centre for Computational Science Administrator: S. Shamim

CLMS Administrator: S. Gan

CPOSS Administrator: L. Price

Departmental Administrator: E. A. Read

Departmental Secretary: M. L. Jabore

Executive Assistant to the Head of Department: N. Best

Finance Officer: L.T. Mulcahy

HR Administrator: J. K. James

PA to Professor Battaglia’s Group: S. Bianco

Undergraduate & Schools Event Administrator: S. Norwood

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40 UCL Chemistry NEWSLETTER