UCL DEPARTMENT OF CHEMISTRY

NEWSLETTER 2012

UCL Chemistry NEWSLETTER

Contents Welcome to the newsletter. 1. Introduction This year has been an exciting one in the Chemistry Department. We have continued to 2. Staff Highlights and News produce excellent research across all areas from understanding protein structure, new flame electrochemical routes for detecting pollen, new routes to capture carbon dioxide and devices 3. Student Highlights and News to harness sunlight to split water. The department has continued to grow in size with the taught 4. Alumni Matters masters intake doubling and the number of postgraduate students well over 200; one of the highest in the college. Further we have over 380 undergraduates; not counting the natural 5. Grants and Contracts sciences and biology teaching. Indeed this years intake of 120 chemistry undergraduates 6. Publications average better than AAA at A-level. Staff have strived and achieved excellence in many aspects of teaching and research. This is supported by a dedicated administrative team lead by Liz Read. 7. Staff Chemistry has also fully embraced the enterprise agenda with a very wide range of activities including licences, materials supply agreements and patents. Indeed the department was awarded three of the four university enterprise awards to look at commercialisation of research. This has been spearheaded by Prof Jawwad Darr, the departments KT Champion and fostered Introduction by Prof Steve Caddick (VP Enterprise). Many thanks go to Nicola Best for organising this year’s newsletter and to Research income through grants awarded has been strong this year; Chemistry has an EPSRC Tracy Hackney at UCL Learning & Media portfolio over £33M, as well as significant funding from Industry, ERC, EU, MRC and BBSRC Services for her help. We hope this sources. Maintaining Ph.D. numbers will be a challenge in the future due to research council newsletter gives a flavour of the exciting changes, however, the department will have over 15 new Ph.D. students through the colleges chemistry and family atmosphere impact scheme and will admit 64 new PhD / EngD students this year. Furthermore the publishing achieved in the department. It is not an culture in the department has taken a shift, in part due to the REF exercise, towards high impact exhaustive document but can provide journals. a number of contact points to the wide variety of activity that occurs in the The department is also undergoing marked change in personal with the retirement of some long department. serving staff. David Knapp takes on retirement in September after over 40 years in the department. He has been a particular stalwart who will be hard to replace, encouraging all staff, always ready to help and also with an eye to help newly appointed staff get established. Robyn and Willie Motherwell also step down. Robyn has been an excellent Safety Officer for the department, handling crisis with calm assurances; even to putting out small scale fires herself. William has been appointed as an Emeritus Professor and promises me that he will generate some single author papers during his retirement as he plans to return the bench - students watch out for your glassware. We thank him for his guiding hand of the organic section over the last twenty years.

The department has been pushing the energy saving “green” agenda within college spearheaded by Prof Sella and John Hill who have managed to cut the departments water usage by 70% in the last year - a saving of over two Olympic sized swimming pools and ca £50K. By Professor Ivan Parkin

ChemUCL 2012 STAFF HIGHLIGHTS AND NEWS STAFF HIGHLIGHTS AND NEWS

New Starters Promotions Chemistry’s New Cluster Dr Rachael Hazael Dr David Scanlon Dr Richard Butler Whilst such titles are normally followed by the exploits of inorganic chemists, 2011- Research Associate Research Fellow Research Associate Promotion to Professor 12 sees the dawn of a new computing facility within the department. The new Dr Kevin Douglas Dr Devis Di Tommaso Ms Katharina Welser supercomputer, known as the IB-Server, is the result of a 7 research group collaboration Administrator RS Industrial Fellow Research Associate Alethea Tabor with resident computing officer Dr Jörg Saßmannshausen. The project, begun in 2010, Professor in Organic Chemistry and allows group members sole access to 420 cores with fast ‘Infiniband’ connections, Dr Leanne Bloor Dr Fabrizia Foglia Dr Florian Schiffman Chemical Biology Research Assistant Research Associate Research Associate dramatically shortening calculation times and enlarging the molecules and systems that can be investigated. Dr Joao Nunes Dr Kaboutar Babaahmady Dr Raul Quesada Cabrera Research Associate Research Associate Research Associate IB-Server joins the 5 pre-existing chemistry computer clusters in calculation for a wide Dr Lev Shamardin Mr Harpal Sandhu Mrs Madiha Sajid range of projects. UCL has a long and excellent research record in computational Research Associate Mechanical Workshop Technician Assistant Administrator (Teaching) chemistry, from crystal structure prediction (Professor Sally Price), to the modelling Dr Andrew Logsdail Miss Annapaula Correia Dr Emma Hadzifejzovic of selectively oxidative catalytic surfaces (Professor Nora de Leeuw). The impacts Research Assistant Research Technician Research Associate in terms of theoretical understanding, programming and contributions to on-going experimental investigations have been significant. Countless other computational Dr Yu Zhang Dr Federico Musso Dr Doris Elfriede Braun Research areas of interest include: Research Associate Research Associate Research Associate researchers will benefit from IB-Server but the machine should also have a wider • Chemical Biology impact. As Dr Saßmannshausen explains, computational chemistry is a useful tool at Dr Srinivas Gadipelli Dr Kris Page Dr Kevin Douglas • Confirmationally constrained peptides the disposal of the whole department. Not only can computational screening highlight Research Associate Research Associate Administrator • Lantibiotics areas for further experimental research, but modelling allows insight into sometimes Miss Dika Thapa Magar Mr Joao Nunes • Non-viral gene therapy ‘unintelligible spectroscopic data’. Centre for Computational Science Research Associate Administrator The cluster itself comprises of 40 boxes each housing 4 nodes, with each node having Leavers Mr Thomsa Pesnot Alethea has made seminal contributions Dr Samantha Gan Research Associate to the organic synthesis of peptides or 4 dual core ‘Intel L5630’ processors. The key feature though is a low latency ‘Infiniband’ CLMS Administrator Dr David Pugh unusual structure in particular the lipid connection allowing swift transfer of data between nodes. The effect of the connection Research Associate Mr Ben Hall binding of the lantibiotic nisin. is exemplified by the recent benchmark test carried out using the CP2K code; on the Dr Benjamin Cowper Research Associate gigabit network a standard calculation took two and a half days, whereas the new Research Associate Dr Valerie Pons Administrator Mr Garikoitz Balerdi IB-Server machine reduces the calculation time to less than 12 hours. Benchmark Mr Mathieu Sala Research Associate test results also placed UCL chemistry computers above ‘HECToR’, the UK’s leading Marie Curie Trainee Dr Stella Vallejos Vargas academic computational research facility. Practically, the reduction in calculation time Research Assistant Mr Davis Davies Mr Garikoitz Balerdi Villanueva Research Associate Promotion to Reader will greatly increase throughput for parallelised codes such as ‘VASP’, ‘CASTEP’ and Marie Curie Trainee Dr Mark Roydhouse ‘Quantum ESPRESSO’ (all implementations of Density Functional Theory) and will

Research Associate Mr Richard Fitzmaurice allow much more challenging systems to be studied. Dr Fabrizia Foglia Senior Associate and Laboratory Manager Ben Slater Research Associate Dr Sandy Desrat Reader in Computational Chemistry Research Associate Dr Dominik Daisenberger As use of the departmental clusters increases, Jörg’s role in keeping the machines Dr Hugh Martin Research Associate functioning correctly will be supplemented by consolidating the data backup system Research Associate Dr Edward Bailey and providing areas for the department’s keen code writers to store programming Research Associate Mr Mr Len Parrish Dr Colin Crick Electronics Officer projects. One single entry point for the UCL computational chemistry community Research Associate Dr Yan Zhang to access programs and support for new users are also being considered. In the

Research Associate Dr Sanjayan Sathasivam meantime, chemists needing a chemist’s advice on programs, implementation and Dr David Grinter Research Associate Research Associate Mr Harpal Sandhu hardware have expert help available. Mechanical Workshop Technician Dr Oliver Henrich Dr Chi Ming Yim Research Associate Research areas of interest include: By Jane Yates Research Associate Dr Robyn Hay Motherwell Departmental Safety Officer Miss Dika Magar Thapa • Computational Chemistry Dr James Hetherington Centre for Computational Science • Ab-initio and pair potential simulations Research Associate Professor William Motherwell Administrator Professor of Organic Chemistry & Chemical • Surface chemistry and crystal growth Dr Jonathan Burns Biology Dr Andreas Kafizas processes Research Associate Research Associate • Nanoporous materials science – Mr Dave Knapp Dr Andrew Kerridge Technical Services Manager Dr Matthew Habgood zeolites and MOFs EPSRC Fellow Ramsay Fellow • Water ice structure and reactivity Dr Christina Mellor Dr Yiwen Wang Centre for Computational Science Ben has excelled in the field of ab-initio Research Associate Administrator and force field approached for looking at Dr Sanjay Sathasivam Dr Lisa Haigh the structure of materials, in particular to Research Associate Mass Spectrometry Technician look at what happens at interfaces. Dr Charlie Dunnill Dr Kerry Simmance Research Fellow KTS Fellow Dr Chi Lun Pang Dr Chris Tighe Lab Manager/UHV Scanning Probe Research Associate Microscopy Scientist

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The Dean of Faculty of Mathematical and Physical Sciences: An item on the BBC website reports that students and Professor Richard Catlow has been reappointed for a enthusiasts attending a recording for Radio 4 have probably UCL Researcher Strikes Gold further term to 31 August 2014. seen a new state of matter only recently discovered. They were at a demonstration lecture at UCL by Professor Andrea Sella (UCL Chemistry) being recorded for Spooklights Our new academic who featured in last years Newsletter, Dr Matthew Powner, struck gold at a recent competition on Radio 4. The state of matter is a plasma like those in in the House of Commons, for his excellence in chemistry research today and walked away with the top prize of conventional nuclear fusion tests, but at higher densities. £3,000 prize. From the Conservative Party Conference (dated 03/10/11), a But far from needing expensive apparatus, the conditions welcome announcement by the Chancellor, George Osborne, can be achieved in a simple glass tube containing a routine On Monday 13th March 2012, Matthew presented his chemistry research to dozens of politicians and a panel of investment in science, in the form of £145m to be invested liquid, costing around £10: “Professor Sella demonstrated of expert judges, as part of the poster competition SET for Britain. His research, which tries to understand how to “make the UK a leader in supercomputing”, a project in a phenomenon called sonoluminescence - flashes of light the processes behind genetics can be initiated in non-organic material, was judged against 29 other shortlisted which UCL’s Professor Peter Coveney has played a major created by collapsing bubbles in a fluid. The flashes are researchers’ work and came out on top. part; and a further £50m will be used to start a Graphene extraordinarily faint, but in the darkened auditorium, those Globe Research and Technology Hub building on the Nobel- attending could see the evanescent sparks quite clearly.” The Matthew explained that he was proud to have won. He said: “The research I undertake is fundamental research prize winning work undertaken by two Russian scientists now report adds that physicist Professor Seth Putterman of UCLA based at Manchester University. has also long been trying to understand the precise source and it makes me proud to see something like this come out on top, at a time when there’s such a big drive for of the light. Judging from its intensity and characteristics, the research to deliver fast financial rewards.” light demands a source containing billions upon billions of free electrons. He realised earlier this year is that under these SET for Britain is a poster competition which is held in the House of Commons. It aims to help politicians Professor Ronald Gillespie was awarded the Order peculiar circumstances a kind of electrical cascade can take understand more about the UK’s thriving science and engineering base and rewards some of the strongest of Canada in 2007. Established in 1967 by Her Majesty place. If a few electrons escape the embrace of their home scientific and engineering research being undertaken in the UK. This competition involves ~180 early stage or Queen Elizabeth II, the Order of Canada is the centrepiece atoms, their field makes it easier for further electrons to escape, early career researchers and is judged by professional and academic experts. All presenters are entered into of Canada’s honours system and recognizes a lifetime of and so on until the entire bubble interior has become ionised. either the engineering, the biological and biomedical sciences, the physical sciences (chemistry), or the physical outstanding achievement, dedication to the community and He has confirmed that the conditions in Andrea Sella’s “plink sciences (physics) session, depending on their specialism. Each session results in the reward of Bronze, Silver service to the nation. The Order recognizes people in all tube” demonstration are precisely those needed to create this and Gold certificates. sectors of Canadian society. Their contributions are varied, new state. This doesn’t meant that nuclear fusion is occurring inside the tubes. No-one has yet succeeded in generating yet they have all enriched the lives of others and made a The Parliamentary and Scientific Committee run the event in collaboration with The Royal Academy of Engineering, difference to this country. nuclear fusion inside these bubbles. But he is seeking the trick that could boost the parameters by a factor of 10, to get it to The Institute of Physics, the Society of Biology, The Royal Society of Chemistry, the Physiological Society, the the region of fusion. Wellcome Trust and the Society of Chemical Industry, with financial support from BP, Airbus/EADS, The Institution of Engineering and Technology, AgChem Access, Oxford Instruments, IBMS and GE Hitachi.

Further information on this award can be found at goes to Professor on Congratulations Andrea Sella http://www.rsc.org/AboutUs/News/PressReleases/2012/SET-for-Britain-2012.asp his election as an honorary fellow of the British Science Professor Robin Clark, Chairman of the University of Association. Canterbury Trust (UK Branch) and Chairman NZ Universities Graduates’ Association (UK Branch), met several times in the the period 7-17 February 2012 with Jeff Field (the University of Canterbury’s Registrar), Graeme Steven (Alumni and Development Manager), and Brian Mann (former Chancellor) in Christchurch, NZ, and also with Margaret Austin (former To a meeting of the NZ Universities Graduates Association Minister of Science in NZ) to discuss the distribution of funds addressed by UCL’s Emeritus Professor Robin Clark on raised in the UK by scholarship appeals for new applicants to the theme of “Science meets Art”. He outlined how scientific the University of Canterbury. This is in response to the large methods, notably light scattering ones, have been developed number of earthquakes (>10000) in Christchurch over the at UCL for the detection and identification of pigments and past 18 months. He also had a meeting with Simon Leese, dyes on artwork and archaeological artefacts. This adds Headmaster of Christ’s College, on the earthquake damage to key information relevant to artists’ palettes at different the school and on what steps have been taken to restabilise periods, in particular to the identification – clearly, rapidly and many buildings. unambiguously – of forgeries. The talk was illustrated with reference to the Lindisfarne Gospels, the Gutenberg Bibles and other priceless items, along with other items that had been shown up as forgeries. Colin Bedford, Emeritus Researcher, was awarded his DSc by Glasgow University in March 2011 for a thesis entitled Studies in Bioorganic Chemistry, the major Professor Robin Clark conferred with the Directors of topic of which being Toxicological the Jussieau and Louvre scientific laboratories in Paris on Chemistry and Biochemistry, 24 January and spoke as Franklin-Lavoisier Medallist at the reflecting the fourteen years he spent Annual Meeting of the Maison de la Chimie in Paris on 25 at Shell Research’s Toxicological January 2012. Laboratory, Sittingbourne, Kent. From left to right: Andrew Millar (MP), Professor David Phillips, Dr Matthew Powner and Ellen Williams

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Life at UCL By Dr Susan Perkin Toxic Spill Closes The 1086 The ‘Laser Lock’ It’s hard to believe that it’s been five years since I arrived at UCL as an RCUK Fellow. Chemistry Building The previous year was a very busy year for me. On the one hand, there was the Device I can still remember the slightly overwhelming feeling of being confronted with an technical support which I delivered. I spent quite some time to upgrade the existing empty lab, a lecturing timetable and the expectation that I would now go ahead and On 24th October 2011 the Chemistry five clusters to a more modern operating system (Debian Linux, codename ‘squeeze’). Professor Ivan Parkin and start my career as an independent researcher. These early years in academia are a Department was evacuated after Furthermore, the planning and installation of the new cluster with a fast interconnect Professor Mike Wilson (Professor strange mixture of rewards and challenges, and I feel very lucky to have negotiated a spill of vanadium tetrachloride – (‘InfiniBand’) was accomplished as well. Right now the department’s computational of Microbiology, Eastman Dental them in UCL. a volatile, aggressive oxidant that clusters have in sum 1086 cores, hence the title. Institute) have designed a ground- readily reacts with water to create breaking catheter that uses a laser Perhaps the biggest obstacle facing any independent researcher is that of raising funds A core is basically that part of the CPU which does all the work. In days gone by a hydrochloric acid, a highly corrosive to “lock out” and destroy bacteria to continue one’s research. This involves a number of skills and attributes: the ability CPU simply hosted one core but modern CPUs can host up to 12 cores. But there are compound which is harmful if inhaled. responsible for one of the most to explain clearly the value of one’s research to funding bodies, a nose for sniffing out more achievements; most of them were hidden from most users. For example; the common forms of hospital infections. new and underutilised sources of funding and, in the current economic climate, the The area was sealed off to make upgrade of the existing backup system for the clusters. Now all the clusters are being capacity to deal with the inevitable rejections which follow one’s applications. But for backed up so users can retrieve accidentally deleted data provided the data is from The team devised a means of using way for the emergency services as light-sensitive agents embedded in those who are minded to pursue a career in academic science, the rewards should standard ventilation procedures were the previous day. not be undersold: pursuing and publishing one’s own research, talking to colleagues the plastic tubing of the catheter to followed. The spill occurred on the block bacteria from travelling into a around the world and contributing to our understanding of fundamental scientific 3rd floor, which houses the Materials With the help of ISD we are currently setting up an archive system. Here the research patient’s urinary tract. The use of phenomena – these are wonderful aspects to a career in academic science which Chemistry Centre. group leaders can store data locally for easy access and eventually this data can be cannot be replicated anywhere else. moved into the (currently being installed) College archive system. In collaboration a catheter, which is interested into the patient to drain or administer Everybody followed the evacuation with ISD, I am now the local contact person for Legion. The idea here is to help local fluid, is thought to cause more than I have been fortunate enough to receive funding from the Royal Society, the procedure and no one was injured. users with the local problems they might encounter when using the cluster. Similar to 20 per cent of all hospital-acquired Leverhulme Trust and the US Office of Naval Research, amongst others. This has It took the emergency services two the departmental clusters, I can install programs on Legion now which hopefully will infections. The ‘laser lock’ device allowed me recruit my research team of group of 1 PhD student and 2 post-doctoral hours to clean up before the building help the researchers to a simplified use of Legion. This role is quite recent and I am is the result of more than five years researchers. Together we have been pursuing the different strands of my research, was deemed safe to return. still growing into it. which primarily concerns ionic liquids – salts which are liquid under ambient conditions work, supported by grants from – and their properties as electrolytes and in thin films. We carry out experiments to By Nicola Best There is of course research going on as well. Research not only in terms of chemistry the Medical Research Council and discover how the ions are organised in the few layers adjacent to a solid surface and but also in the development of new code which does the computation of chemical the Biotechnology and Biological how their properties differ from the bulk liquid. One important application of this work problems. For this researchers need, the latest tools to do that and over the summer, Science Research Council. The is the development of supercapacitors for energy storage and regeneration during I am installing a test cluster for exactly that purpose: to test out code with different prototype is currently being worked breaking. compilers and libraries. The code development means also some kind of subversion on for completing by early 2013, and that is part of the to-be-installed test cluster project. when pre-clinical safety testing will The most exciting event this academic year, however, has been the birth of my first child start. Clinical trials will then follow a – Rosa – in September 2011. Returning to work from maternity leave has been made On the other hand there is the chemistry side of research. As a fully trained chemist, few months later. much easier by my receipt of a UCL ‘post-break award’: funding which is designed I am still doing some research and I was quite lucky (and very happy indeed) to to assist with the transition back to work after a career break. This has allowed me get the front Cover Page of a Dalton issue with my Perspective contribution entitled By Nicola Best leave from teaching duties along with assistance for childcare at conferences. This ‘Quo Vadis, agostic bonding?’. Meanwhile the answer can be given here: it goes into summer I will be presenting our research at a Gordon Research Conference in Maine the Oxford Dictionary as Prof. M. L. H. Green told me in a private communication. and at the annual meeting of the International Society of Electrochemistry in Prague, This Perspective is a bit of a reflection of how agostic bonding has developed over so Rosa will be a seasoned conferee before her first birthday! the last decades: from just a curiosity into a really powerful concept of bonding. For this, the combination of spectroscopy (NMR, x-ray), new compound (Chemistry) and modern computational methods in I’ll be leaving UCL this summer, to take up a position as a University Lecturer in Molecular Modelling (DFT, Bader the Department of Chemistry in Oxford, together with a Tutorial Fellowship at Trinity Analysis, NBO) were essential, and College. UCL has been a wonderfully supportive and stimulating environment in which this combination of methods are my to begin my career, and I am very sad to be leaving my colleagues and students. But current research interest as well. I look forward to continuing the collaborations and conversations that we have built up in future years. In any case, it was a very busy year for me and I would like to take the opportunity to thank all the people who helped me along the way, my colleagues in the technical support and ISD on one hand and the academic colleagues for their help with my research on the other hand.

By Dr Jörg Saßmannshausen.

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PARRUNG PHOLPIPATTANAPONG LIAM BENNETT CHRIS NASH SAMUEL ALEXANDER LAURA FENNER UNDERGRADUATE BSc Chemistry with Management Redox properties of cerium oxide: a Quantum phase slips in superconducting Discovery of Herterometallic layered Magnetic frustration in insulators and Studies comparative study of F-block oxides and nanowires oxides using solid-state reactions of conductors DEGREES their oxygen storage capacities (Supervisor: Paul Warburton) nano-precursors (Supervisor: Andrew Wills) Many congratulations go to the THANASAK SATHITWITAYAKUL (Supervisor: Glenn Jones) (Supervisor: Jawwad Darr) following Undergraduate Students BSc Chemistry SACHA NOIMARK TOKS FOWOWE who graduated with a First Class SAMUEL BRADLEY The prevention of catheter-related JOSEPHINE ARENDORF Development of a 3-electrode system for Degree from Chemistry in 2011/12 YING SOON Modelling the Pt/HfO2 interface for infections; an alternative approach A study of some non-covalent functional gas phase dynamic electrochemistry BSc Chemistry nanoelectronic switching applications (Supervisor: Ivan Parkin) group-π interactions (Supervisor: Daren Caruana) (Supervisor: Alex Shluger) (Supervisor: William Motherwell) ANDREW TRANTER PANAGIOTA PELEKANAKI RAIMONDAS GALVELIS YASMINE AL-HAMDANI MSci Chemical Physics MSci Chemistry with Mathematics MARIAN BREUER Mn-Doped nanoporous aluminophosphate LEANNE BLOOR Modelling of functional hybrid organic- JAMES VALE Thermodynamics of electron flow in the catalysts for the aerobic oxidation of On the synthesis and chemical vapour inorganic materials: from structure to KASRA AMINI MSci Chemistry bacterial decaheme cytochrome MtrF hydrocarbons-Comparison of different deposition of group 13 precursors properties MSci Chemistry with Mathematics (Supervisor: Jochen Blumberger) functionals towards metal oxide thin films (Supervisor: Caroline Mellot-Draznieks) JINGYI WANG (Supervisor: Richard Catlow) (Supervisor: Claire Carmalt) ROSIE BANNISTER BSc Chemistry YEE TIEH CHOW DAVID GRINTER BSc Chemistry with Mathematics Structural prediction of Nnaoclusters KAY RIGBY MATHILDE BUSSON Surface studies of metal oxide catalysts RONA WATSON using Genetic Algorithm and basin A computational study of the structural Towards Neocarzinostatin Chromophore and ultrathin films JACK BESWICK MSci Chemistry with Mathematics hopping methods and thermodynamical properties (Supervisor: Stephen Caddick) (Supervisor: Geoff Thornton) MSci Chemistry (Supervisor: Scott Woodley) of palladium hydride using density JOSEPH WELLINGTON functional theory calculations JADRANKA BUTORAC ADAM HARMAN-CLARKE BEN BLACKBURN MSci Chemistry MSci Chemistry THOMAS DALEY (Supervisor: Nora de Leeuw) Femtosecond laser studies of CO and Topological constraints and ordering in Mesoporous titanium dioxide: NO on Pd(111) model frustrated magnets CHRIS BOWMAN Development of a mesoporous support DAVID SANTOS CARBALLALA (Supervisor: Helen Fielding (Supervisor: Steven Bramwell) BSc Chemistry MSc DEGREE’S for heterogeneous catalysis Atomistic simulations of hydroxamic acid (Supervisor: Gopinathan Sankar) adsorption onto goethite surfaces ARMANDO CAZARES ROBLES RACHAEL HAZAEL KATHRYN BRADLEY KA LO CHI (Supervisor: Nora de Leeuw) Biocatalytic approaches to ketodiols and High pressure studies in solid state MSci Chemistry MSc Materials for Energy and CHRISTOPHER DOWNING aminodiols chemistry and biology Environment Ab initio studies of zinc oxide, its polar ALEXANDER M. SMITH (Supervisor: Helen Hailes) (Supervisor: Paul Mcmillan) JAY BULLEN surfaces and their defects Structural and shear forces in MSci Chemistry MARIA DEVETZOGLOU (Supervisor: Richard Catlow) molecularly confined liquid films HSIN-YI CHEN LISA HORSFALL MSc Materials for Energy and (Supervisor: Susan Perkin) Hydrogeneration reactions catalysed by Stereoselective synthesis of pyrrolidinones ADAM COGGINS Environment TOMIWA OREOLUWA ERINOSHO organometallic complexes via nitro-mannich reaction towards the MSci Chemistry The relative roles of iron oxides, iron OGAGA UZOH (Supervisor: Richard Catlow) synthesis of Popolohuanone E DANIEL MALONEY oxyhydroxides and polysulphides in the Towards accurate crystal structure (Supervisor: Jim Anderson) ZILU FENG MSc Materials for Energy and MSci Chemistry with Mathematics electrochemical reduction of CO2 prediction of 2-phenylamino benzoic and VIJAY CHUDASAMA Environment (Supervisor: Katherine Holt) tolfenamic acid The use of aerobic aldehyde C-H activation FAVAAD IQBAL SAMANTHA GIBSON (Supervisor: Sally Price) for the construction of C-C and C-N bonds The development of novel photoactivatable JENNIFER PASS MSci Medicinal Chemistry CLYDE FARE (Supervisor: Stephen Caddick) antagonists for the GABAA receptor MSc Materials for Energy and Environment An Ab-initio investigation of the (Supervisor: James Baker) ANNA GOULD electronic structure of neutral vacancies ROSS COLMAN PANAGIOTA PELEJANAKI MSci Chemistry of Ca2AlO3Cl with respect to electride Experimental investigations of S=1/2 NIZAR ISSA MSc Materials for Energy and Environment EngD DEGREE’S like behaviour kagome magnets: the search for Towards more efficient screening of TOMOS HARRIS ARUN ROA (Supervisor: Peter Sushko) KATHRYN J GLASER quantum spin liquids pharmaceutical cocrystals BSc Chemistry MSc Materials for Energy and Environment Computational studies of silica (Supervisor: Andrew Wills) (Supervisor: Sarah Price) IMAN HASSAN (Supervisor Rob Bell) DARRYL HILL ALI SHEHU AACVD of nanocomposite antimicrobial COLIN CRICK ANDREAS KAFIZAS MSci Chemistry MSc Materials for Energy and Environment surfaces ZEYNEP KURBAN The chemistry and CVD of Hydrophobic Combinatorial atmospheric pressure (Supervisor: Claire Carmalt) Electrospun nanostructured composite surfaces chemical vapour deposition for PAUL KOLEOSO FENG TAO fibres for hydrogen storage applications (Supervisor: Ivan Parkin) optimising the functional properties of BSc Chemistry MSc Materials for Energy and Environment HUSN-UBAYDA ISLAM (Supervisor: Neal Skipper) titania thin-films X-ray absorption spectroscopy of iron (Supervisor: Ivan Parkin) HANNO KOSSEN GARY DOCTORS ADEOLA THOMPSON MSci Chemistry sulphides NATALIE NATASHA CADAY MOORE Towards patient-specific modelling of MSc Materials for Energy and Environment (Supervisor: Richard Catlow) A classical investigation of the dynamics cerebral blood flow using lattice-Boltzmann MARTIN MARTIS KATHERINE LAU of MgO grain boundaries and an ab initio methods In situ and ex situ characterization BSc Chemistry JOLIE WU HENRY LANCASHIRE study of oxygen vacancies in amorphous (Supervisor: Peter Coveney) studies of transition metal containing MSc Materials for Energy and Environment Implantable electrodes for prosthetic SiO2 nanoporous catalysts CHRISTOPHE LYNCH control (Supervisor: Dorothy Duffy) KEVIN DOUGLAS (Supervisor: Gopinathan Sankar) MSci Chemistry with a European MENG YONG (Supervisor: Gordon Blunn) The formation, dissociation and reactivity Language MSc Materials for Energy and Environment of gaseous ions MOHAMED MATAR MARIANNE MONTEFORTE PhD DEGREE’S (Supervisor: Stephen Price) A computational study of the structure CONOR MCKEEVER Synthesis of FePt Nanoparticles for the and properties of Titanates and Carbon MSci Chemistry characterisation of the internal structure ASMAA AL-BAITAI ADAM ELLWOOD Nitride MRes DEGREE’S (Supervisor: Ian Robinson) Computational studies of the interaction A synthetic approach to the sarain core (Supervisor: Furio Cora) ZAKIRIN MIA of pollutants with iron oxide surfaces and development of new thioamide- MSci Chemistry BEN AHMADY ANUPRIYA JAI NAIK (Supervisor: Nora De Leeuw) based methodologies JAI MATHARU Simulations of crodafosTM bilayers Metal oxide semiconductor gas sensors (Supervisor: Michael Porter) Surface science of ultrathin metal oxide ANTHONY OVERY (Supervisor: Nora de Leeuw) MSci Chemistry based on nanostructured tungsten oxide films (Supervisor: Russell Binions) (Supervisor: Geoff Thornton)

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MATTHEW PENNY Outreach in the New Workshops bubble formation is explored. Finally IStudies on enolate directed 2011- 2012 PRIZE WINNERS In conjunction with UCL outreach, the Izaak Fryer-Kanssen, Aaron John, Avital carbometallation reactions We would like to congratulate the following prize winners: Chemistry Department department held their first ever Junior Shirazi and Olivia Lynes (4th year UGs) (Supervisor: William Motherwell) Masterclasses event. Organised by came up with a workshop to tackle the MICHAEL WARD JAMES VALE By Laura Fenner Milena Wobbe (2nd year PhD), 25 age old school experiment of titrations. KERRY SIMMANCE Ramsay Medal Winner Neil Sharp Prize Here in the Chemistry Department at Year 9 students and their parents were Their workshop Hard Water and Zeolites The design and understanding of the - This award is in recognition of your - For Excellence in theoretical (including UCL, we have always done a great deal of introduced to the wonders of dry ice in get students to explore different water mechanism of formation of nanoporous outstanding achievement in winning events in the name of scientific outreach. workshop entitled ‘Carbon Dioxide – the samples and use titration with zeolites to catalytic materials computational) Chemistry this year’s Ramsay Medal for your most dangerous molecule in the world?’ determine the hardness of water. (Supervisor: Gopinathan Sankar) Chemistry students have long been involved presentation titled “Reactions of oxygen ADAM COGGINS in going out to London based schools to The event gained much positive feedback and hydrogen atoms with molecular Tuffnell Prize present workshops. From Spectroscopy and was repeated at Ricard’s Lodge High Website ALASTAIR SMITH ices of astrophysical interest.” Structural and defect properties of - For the best student commencing a Ph.D. in a Suitcase (SIAS) to Carbon Dioxide School and presented by Peter Merchand Our outreach website has had a strontium titanate in the Department of Chemistry, UCL - the Most Dangerous Molecule in the (3rd year PhD) as part of a daylong STEM makeover! Thanks to the amazing skills (Supervisor: Richard Catlow) ANDREAS ISKRA World? The chemistry department has extravaganza. and knowhow of Kealan Fallon (4th year, CK Ingold Prize (third year) MSci), the Chemistry Department now TRANG TRAN also hosted a range of schools events - For Excellence in Undergraduate Milena Wobbe have new webpages showcasing the GYÖRGY SZALÓKI Tuffnell Prize including Salter’s Festival of Chemistry, Part I: Synthesis of novel purely planar Performance the UCL/LCTC Year 12 Advanced demonstrates range of schools workshops our students - For the best student commencing a Ph.D. the acidity of chiral ferrocenes for asymmetric in the Department of Chemistry, UCL Seminar Series and demonstration have to offer. synthesis Part II: Synthesis of novel JAMIE SU KIAN TAY lectures as well a variety of other events. carbon dioxide azaferrocenylboronic acids CK Ingold Prize (Joint win – second to a group of Science writing SAMANTHA GIBSON (Supervisor: Jim Anderson) year) Year 9 students In addition to our enhanced webpage we’ve Parke Davis Prize - For Excellence in Undergraduate visiting the also got students writing more articles for - Excellence in Medicinal Chemistry DAVID UNWIN Performance department for the departmental blog so that you and the our first Junior Investigations into electrocatalytic general public can find out what we’ve RONA WATSON M a s t e r c l a s s reduction of protons to hydrogen ANDREAS ISKRA been getting up to here in the department. Harry Poole Prize session in Feb by complexes inspired by the FeFe Penny Carmichael, (1st year PhD) has CK Ingold Prize - For Excellence in Physical Chemistry 2012. hydrogenase enzyme active site - For Excellence in Undergraduate acted as editor for the past academic (Supervisor: Katherine Holt) Performance year and received articles from a number ANNA GOULD of students. A series of articles entitled ‘A QI WANG Ronald Gillespie Prize ROHAN RAJIV MERCHANT Under- and postgraduate chemistry week in the life of…’ where undergrad and IA computational study of calcium - For best student in Inorganic/Materials Sujata Kundu demonstrates the principles of students have also come up with a CK Ingold Prize (Joint win – second infra-red spectroscopy to a group of students post grad students get to test their writing carbonate Chemistry proceeding to a Ph.D. at UCL variety of new and improved workshops. (Supervisor: Nora De Leeuw) year) during an in house ‘Spectroscopy in a Suitcase’ skills by telling us about their weekly lives - For Excellence in Undergraduate day. Hazel Kitching and Joe Manzi (2nd year at UCL which you can read about in this Performance BEN BLACKBURN EngDocs) have put together a Magnetism newsletter. Clair Chew (2nd year PhD) has MICHAEL WARD Ronald Nyholm Prize In the last year, a few of us decided that workshop with the help of Laura Fenner been reporting on several CPS talks this Reactions of hydrogen and oxygen - For Excellence in Inorganic Chemistry atoms on interstellar grain analogues PATRICIA PEI SHUAN HO we could do even more in the name of demonstrating how iron filings can be year and we have also seen reports on (Supervisor: Stephen Price) CK Ingold Prize (Joint win- second outreach. We have continued to go to found in your breakfast cereal and many of the workshops given at schools year) JAMES CUTHBERTSON schools with SIAS and other workshops grapes can be repelled. Kalyani Gupta, in the local area. Check out our articles at CHI YIM - For Excellence in Undergraduate Badar Prize with the addition of setting up and Rohan Merchant (4th &3rd year UG) and http://blogs.ucl.ac.uk/chemdeptblog/ - For best student commencing a Ph.D. Scanning probe and spectroscopy Performance improving on a couple of areas. UCL Katharina Welser (PostDoc) designed in Organic Chemistry studies of rutile TiO2(110) chemistry students have come up with a Building Molecules workshop where Future things (Supervisor: Geoff Thornton) JUTTA TOSCANO exciting new workshops as well as having students build crystal structures using We also have big and beautiful ideas for CK Ingold Prize (Joint win – second HANNO KOSSEN tried and tested them. Students have also polystyrene balls and wooden skewers to the coming academic year. One of these year) Charles Vernon Prize been displaying their creative writing skills demonstrate the allotropes of carbon. is to set up an audio/visual unit where - For Excellence in Undergraduate - Excellence in Biological Chemistry by writing articles for the chemistry blog. students have the opportunity to learn to Performance operate cameras and use editing software ADAM COGGINS By creating an outreach society here at to document activities that go on in and JOE BARNETT Franz Sondheimer Prize the Chemistry Department, students have around the department. This section will CK Ingold Prize (Joint win – first year) - Excellence in Organic Chemistry the opportunity to gain experience and be headed by Anna Roffey (3rd year PhD). - For Excellence in Undergraduate contribute to new workshops, science Performance Felix Schumacher communication and teaching, journalistic This academic year the outreach Apley Prize and photography skills as well as general committee will be headed by Hazel Kitching The following 2nd year PhD students won JINGYI WANG - For the best abstract for a Ph.D thesis events coordination. Read on to find out as the outreach coordinator. Organising prizes at the Postgraduate Poster CK Ingold Prize (Joint win – first year) entitled “Functional bridging of protein what we’ve achieved this year! school’s demonstrations and workshops is - For Excellence in Undergraduate disulfide bonds with maleimides”. Competition, held on Tuesday 26th Jane Yates who will be continuing to send Performance June 2012 in the Nyholm Room. current and new workshops out to schools Atif Elahi James Hindley (centre, 3rd year UG) and for children of all ages. Anna Roffey as SEAN KENG RUI CHIA GSK travel Award Kalyani Gupta (left, 4th year UG) demonstrating the audio/visual officer and Kealan Fallon Eifion Robinson Organic Chemistry CK Ingold Prize (Joint win – first year) - For the best presentation of a Ph.D a new workshop ‘building molecules’ to Year 8 will continue as website officer. Penny Anna Roffey Inorganic Chemistry - For Excellence in Undergraduate thesis entitled “Dynamic electrochemistry students and Kingsford Community School. Carmichael will continue to act as editor Atif Elahi Physical Chemistry Performance in flame plasma electrolyte”. for the departmental blog and has plans Jane Yates, Milena Wobbe, (2nd year to expand with the opportunity to write Elisabeth Krizek Computational MOHAMMED AZIZ KHAN PhDs) Iman Hassan and Anupruja Naik longer, feature articles. And Joe Manzi as Chemistry CK Ingold Prize (Joint win – first year) Year 8 students competing against rival schools (3rd year EngDocs) created a workshop outreach events officer aims to get UCL Vincent Gray Synthetic Chemistry - For Excellence in Undergraduate to solve a variety of experimental challenges based on the production of soap and Chemistry demonstrating the wonders (Rothwell Prize) Performance and win prestige for their school at the Salter’s bubbles. Getting students to be creative, of science around the country at various Festival of Chemistry hosted in the Turner lab, the science behind soap making and science festivals this year. UCL.

10 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 11 STUDENT HIGHLIGHTS & NEWS STUDENT HIGHLIGHTS & NEWS

UCL CEPMaBC - Be A Polymath – 2012 a shortage of ways to occupy your time; immense. Boring concepts suddenly be that academic or otherwise”. contain the MOST IMPORTANT In November 2011 UCL Outreach awarded Miss Aisha Rahman, a PhD student in the A Week in the Life SCIENTIFIC EQUATION YOU’VE department and Dr Dewi Lewis, £6000 to organize and deliver a two-day Summer School. Never having been attempted before, the theme ‘Be A Polymath’ combined a range of of UCL Chemists Izaak Fryer-Kanssen EVER SEEN! Lectures feel like a way disciplines and departments; Chemistry (naturally), Engineering, Physics, Mathematics, Edited by Penny Carmichael is a third year undergraduate student of reconnecting with your old friend “’CAUTION: 2,6-Dimethylaniline is toxic Professor Whatshisname. All in all, the Biology and Computer Science. Students from Years 11 & 12 from non-selective state For those of you, (and I’m sure there and readily absorbed through the skin’. limbo is confusing yes, but I guess the schools in London made up the vast majority of the limited 150 places, as well as are many), who just can’t get enough of The sentence pops back in my mind as I benefit of limbo is an association with attendance from international participants who were keen to try their hand at being a the UCL Chemistry Department, make pipette said reagent into my Erlenmeyer multiple worldly planes”. polymath. The Summer School was styled as a competition where students were put sure to check out our lovely blog. Here into teams of 5, where they had to compete to gain as many points as possible for each flask. I’m feeling pretty glad that I you will find an array of articles catering challenge. There were 5 challenges over the two days, each designed with a focus on one forked out £15 for a new lab coat now. Jane Yates to your every need – missed a great The new committee for 2012/13. (L-R) Hazel discipline and some ‘crossover’ in concepts with another discipline. For each challenge Admittedly, my main motivation for doing is a first year PhD event in the department and are keen to Kitching (outreach coordinator), Jane Yates there were a core group of mentors on hand from departments across UCL (and beyond) so was that I fancied being one of the few student studying know what happened? Or simply bored (schools coordinator), Penny Carmichael and were necessary for the smooth running and grading the teams. From the Department students with nothing obscene on their computational and looking for something interesting to (science writing editor), Anna Roffey (audio/ of Chemistry, Marion Brooks-Bartlett and Nadia Abdul-Karim made excellent mentors and back for a while, but not having a hole chemistry under visual officer), Joe Manzi (outreach events read? We have it all. We have been going had great feedback from the participants. on my right elbow is a pretty good reason Glenn Jones officer) and Kealan Fallon (website officer, not for over a year now and to celebrate too. ‘Precipitation of the amide is virtually “With a world pictured). we have compiled a few glimpses of instantaneous’, according to Thomas J. platinum shortage, undergraduate and postgraduate life in Reilly of the Department of Chemistry American ‘Density Outreach is a great way to inspire the Christopher Ingold Building. We at the and Biochemistry in Los Angeles, whose of Energy’ targets and an R&D younger minds as well as the general UCL blog team believe that it is not just synthetic method I’ve nicked. I hope it is, department keen to start work on new public in the world of science. Being part the amazing achievements and awards because it’s been three and a half hours catalysts, what does a week in the life of of chemistry outreach can offer you a by members of the department that already and before that was a lengthy a chemist who’s trying to create a robust wide range of experience especially in should be celebrated, but also the daily (yet surprisingly interesting) double hydrogen fuel cell look like? Firstly, I must science communication and teaching. hard work from so many of our students. If you would like to find out more about lecture on surfactants. confess that my project will not solve any We hope that you enjoy reading these chemistry outreach this year, please get in energy crisis on its own, but that’s the short pieces as much as we did! touch with one of the committee members I’m knackered. Nothing a quick coffee way with science. Each small section or see the website for more details. dash won’t fix; however, looking over of research fits into a bigger scheme to http://www.ucl.ac.uk/chemistry/outreach the synthesis, it seems I’ve only got further our understanding and ability to a couple more steps to go before I use science. obtain my assigned target molecule - the anaesthetic ‘Lidocaine’, or So, my week of crusading for green 2-(diethylamino)-N-(2,6-dimethylphenyl) energy solutions will actually involve Participants arriving and signing in to receive their goodie bags acetamide. I take some pride and taking sitting at a desk, modelling transition considerable care not to spill three weeks metal carbides and attempting to get The Chemistry based challenge was a particular hit, where the participants were given dry ice, soap solution and a beaker, then set of work, steel myself for the final push. If I layers of metals to bond to them (and the task to demonstrate that CO2 is heavier than air, and show how the model could be used to explain the green house effect. The finish today I can dedicate Thursday and still be catalytically active). That is, when Engineering challenge was an excellent test of creative skills, where special arrangements were made to host members from the James Friday to analysis (NMR, IR and mass the supercomputers are working. When Dyson Foundation (JDF), which gave a real insight in to the design process faced by Engineers. The ideas were presented to the rest of spectroscopy), happily coinciding with they’re not, searching through previous the participants during Day 2, within a strict 2 min time limit, with a panel of 4 judges marking the clarity of presentation and originality of Olivia Lynes the cheap night at the union bar. Now work for hints and ideas, checking input the ideas. The standards were very high. is a second year that’s motivation!” files and trying to pick up Python (the undergraduate language not the snake) fill the gap. Steve Gray (UCL Centre for Advanced Spatial Analysis and also a phenomenal mentor) kicked off the Computer Science challenge with student reading Emily Glover Group time is always useful for ironing a presentation as to why his discipline is a great area for research. The challenge was then set and run by Microsoft (specially invited to Chemistry on is a forth year undergraduate student out problems, deciding how to progress participate in this unique event), who started the session by giving an insight into the uses and the potential applications of computers in the International “Being a fourth year MSci Chemistry and remembering that there are bigger the future…some exciting stuff awaits! programme undergraduate is akin to sitting in the things afoot than queuing problems. An awards ceremony at the end of Day 2 saw the winning teams presented with trophies for 1st, 2nd and 3rd places. The best team “I read chemistry limbo between life and death. Not that Glamorous it isn’t but we’ll get there, one work was also recognised, as being a polymath is not just about being a geek. Each participant received a bespoke ‘CEPMaBC’ metal with Spanish, a combination which never graduation should be considered as the calculation at a time”. pin badge. The event was extremely successful and well received, teachers who were present asked for details about how to enroll their ceases to cause looks of confusion and students for next year. A number of participants indicated they would attend next year (!!) if the challenges were different. end of your life entirely, but it is definitely slight horror; and for this year only my the end of your life as a student. Since Marion Brooks-Bartlett degree is part time. I attend lectures for most other students graduate after three is a first year PhD student studying two chemistry modules; I don’t have labs years of lectures, seminars and exams, computational chemistry under Dr Simon and attend an evening class for Spanish. to be considered an undergrad while Banks and Prof Björgvin Hjörvarsson you’re working a nine to five in the lab, “Monday starts with the terrible battle My total contact time amounts to 10 attending lectures alongside research through London Underground after a hours - a dream for anyone completing group meetings and juggling ‘sports night’ weekend of catching up with my social a science degree. It’s also a massive (why do I still go?) and ‘work drinks’ on a life. I get through the chemistry doors and contrast to first year when my timetable Thursday, leaves one in an intermediary into my office which I share with three consisted of 26 hours of contact time. state of confusion. other male researchers. I am the only There really isn’t a typical week when PhD student for my supervisor working you study at UCL. As the last week of Having said this, the gratifying feeling on spin ice - a magnetic material which Participants during Chemistry Challenge and Presenting the Engineering Challenge designs Professor Sella presenting the term, this week combines final unit tests, of being allowed to run free in the lab, shows non-zero entropy as temperature 1st prize trophies final lectures and tutorials. Whatever is write up your own original research and approaches zero Kelvin (yes- breaking the The Summer School received the support of the Royal Academy of Engineering, London Mathematical Society, Institute of Physics, planned as a UCL Chemist there is never do what ‘real’ chemists do every day is Third Law of Thermodynamics!). I switch Society of Biology, Microsoft, JDF and of course the Royal Society of Chemistry. We would like to thank these societies for their support and believing in the CEPMaBC concept and especially UCL Outreach for making it possible with the funding.

12 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 13 STUDENT HIGHLIGHTS & NEWS STUDENT HIGHLIGHTS & NEWS

on the computer to see that C++ program I have been developing for some months Chemists Learn a Different Kind of Science InnerZap Sarah Stokes completed a BSc On the 7th February Aisha UCL Advances, the centre for in Chemistry at UCL in 2007 and and now, (which uses a statistical method to On a sunny winter’s afternoon a group of UCL’s chemists arrived at the King William IV Rahman Marion Brooks- entrepreneurship for UCL students model the interactions between magnetic pub in Leyton for some purely ‘academic pursuits’. We were greeted by a roaring fire went onto graduate from Birkbeck Bartlett attended the AkzoNobel moments) has ‘errors’ and ‘segmentation runs a project called “Higher Education (University of London) in 2010 with Poster Competition as one of and Dr. Louise Price’s other half, who’s enthusiasm for ‘Brodie’s Beers’ led Louise to in London Outreach”, HELO. Small faults’- a programmers worst enemy. an MSc in Analytical Chemistry. the five shortlisted finalists at RSC’s organising the tour of the brewery for UCL Chemistry’s real ale drinkers. businesses can apply for help from Sarah is now working as an Assistant Burlington House. They delivered a 5 These fill my day which continues to flow an academic and get a small number into Tuesday and Wednesday. Two pints (a steal at £1.99) later we were off on our tour of the brewery which was just of hours of free consultancy to solve Production Editor for Future Medicine. minute elevator pitch before spending next to the pub, in a large cold shed full of large metal tanks. Our guide proceeded to a specific problem as well as having an hour defending their poster and By Thursday, I have realised that looking explain their brewing process, telling us about the various experiments in the creation access to students who are after idea “ŒWater: the fuel to power at the computer too much is not helping of new and different tastes and aromas of the beers, whilst enthusiastically producing coursework assignments that are “Real”. our future”. Their ideas were well my sanity, so I shift my energy into bags of hops for us to sniff. Following this we traipsed back into the warm pub for a beer One of the projects that I have been received and they were awarded searching for new articles and reading tasting of 4 of the 13 beers on sale. involved with was an issue concerning places as runners up. The judges about how others have this fortunate the stabilisation of the formula for a new were so impressed with their idea that ability to get results! Nevertheless it Brodie’s brewery is named after the James and Lizzie Brodie who took over this energy shot. The company was trying Alexander Smith was awarded they decided at the last minute to issue to produce an energy shot that had all inspires me as I write summaries to the east London brewery back in 2008. Their tasty beers proved so popular they’ve now the prize for best poster contribution them with a monetary prize. Further masters students in my group and gain expanded to three pubs in London and their beers are soon to be distributed across the active ingredients of a standard full sized energy drink, concentrated, not at the Royal Society of Chemistry details of the event can be found at more insight from my supervisor. Friday - England and Scotland. into an 80 ml shot as is normal but into Faraday Discussion meeting in http://blogs.ucl.ac.uk/chemdeptblog/ I hope again to get the code to work and a 20 ml shot: Southampton, 2-4th April 2012, with roll out some data to analyse. Next week By Penny Carmichael his poster titled “Ionic liquids as isn’t the same though- the schedule “All the power of a traditional energy lubricants and additives: structure and drink but in a single gulp” is filled with conferences, marking lab friction of molecularly confined films”. scripts, workshops, tutorials and so on!” Beat the Banana By Laura Fenner Clair Chew When I agreed to do the Sport Relief mile with my mum in March I thought I would just This proved interesting Our colleagues Richard Briggs is a first year PhD student studying CVD do a bit of training, run the mile and then not bother with running again. But although as a chemical project as and Michael Warwick took part in at high concentration and under Claire Carmalt and Ivan Parkin my first training session made me feel awful and I had to hobble over the finish line on Movember and helped to raise £838 low temperatures you get “My eyes opened at 7.30am, thinking the big day because I’d got a pretty bad stitch in the last 100 metres, I realised that I crystallisation of active for prostate and testicular cancer. about going for a jog but then I heard the really enjoyed running and was not actually that bad at it. So, soon after Sport Relief Movember is responsible for the ingredients which results and rain on the window and thought ‘no’. The I signed up to do the 5km (3.1 miles) Beat the Banana! fun run in Hyde Park on 17th in a crunchy drink. The Aisha Rahman Marion sprouting of moustaches on thousands next thought that appeared in my head May 2012, an annual event that raises money for World Cancer Research Fund. This main ingredient taurine Brooks-Bartlett have been of men’s faces in the UK and around was ‘I need to make more films and get challenged me to keep practising and to make myself run further and further each week. is an amino acid and shortlisted for a prestigious new award the world. The aim of which is to raise It was tough but enjoyable, and I realised that it is a great way to fit some quick but very some useful results’. But alas, I had to has Zwitter ion formation in the competition “Tomorrow’s vital funds and awareness for men’s effective exercise into a busy schedule. wait for the engineer to arrive to try and and is therefore variable Answers Today”, which is sponsored health, specifically prostate cancer fix a leak in the central heating pipes with changing pH. The by chemicals company AkzoNobel. and other cancers that affect men. Due to the terrible weather that we’d been having in the weeks before Beat the Banana! solution was to balance under the floorboards. A few hours to kill They will now have the opportunity to Well done guys! at home? No problem. I didn’t manage to get enough practice sessions in to increase my distance up to the the pH so that the taurine compete for a £1,000 prize and work full 5km – the furthest that I’d done was 2.5 miles. Despite this, however, I was feeling stays solution, even if experience at AkzoNobel. Wondering into the kitchen I decided to confident about the run – the weather on the day was fairly good for running, I seemed kept in the fridge. bake! Coconut biscuits! With half the to have stopped getting the stiches that had been bothering me for a few weeks, and I Following the successful batch baked I started to wash up but was was determined to run the whole distance no matter how worn out I got. completion of the project, interrupted by door knocks. I bounded As the name of the run implies, participants are supposed to try to beat a man dressed I was approached to see if towards the door to be faced by a grumpy as a giant banana around the course. I wasn’t expecting to beat him – I knew the banana I would join the company wet engineer. He didn’t want a cookie. would be a fast runner – but I’d set myself a target of 30 minutes in which to complete as a partner. Hence I now Felix Hall (BSc 2009) is in the third the run. It was great fun taking part in the warm-up and then running around Hyde Park have a new hobby which Kim Barrett has been elected year of his PhD at Basel University, The next part is pretty routine. Got on involves bringing a new alongside loads of other people wearing yellow t-shirts. During the run I managed to President of the American Switzerland and his first paper has a tube, got a seat and read all the way energy drink to market. keep going at a good, steady pace and I even had some energy left to speed up for been published in Physical review to Euston. Arrived windswept into the This has been a huge Physiological Society. She graduated the last half a kilometre and then sprint over the finish line. I was really pleased with my letters. learning curve involving from this Department with a Medicinal department up into the office looking at performance – I didn’t beat the banana (he only took 20 a pile of paper mess I don’t remember all sorts of aspects of Chemistry degree in 1979 and minutes!) but I finished in about 27 minutes, well under business, sales and completed a Ph.D. with Fred Pearce, leaving on my desk before the holidays. my target! And thanks to the generosity of family and This occurrence happens more than marketing as well as and is now Dean of Graduate Studies friends I also managed to meet my sponsorship target team work, but InnerZap occasionally. No mention of chemistry? A at UC San Diego. and raise £100 for World Cancer Research Fund, a Energise shots are now day in the life of a research student just charity which funds cutting-edge scientific research available in shops and back from holidays!” and provides people with the information they need to online so look out for our reduce their cancer risk. Thank you to everyone in the tubes in the UCL Union Gabriele Tocci was awarded Department of Chemistry who sponsored me! shops and ULU cafe. the poster prize at the 32nd Annual You can find the UCL departmental blog Graduate Student Meeting of • Since Beat the Banana! I’ve carried on running in my at http://www.ucl.ac.uk/chemistry/blog the Royal Society of Chemistry, spare time, and I think my next challenge will be to work Leanne Bloor won a Dalton Theoretical Chemistry Group. up to a 10km run some time next year. If you would like For more information, follow the Division Bursary to present at the • We are looking for writers. Anyone who to do some regular exercise, but don’t have much time links below: XVI Brazilian Meeting on Inorganic is interested in writing for the blog, to fit it in or can’t afford to join a gym, why not have a please contact Penny Carmichael HELO - www.ucl.ac.uk/advances Chemistry, 13th-17th August, go at running? It’s free and easy to get started, and InnerZap – www.InnerZap.com Florianopolis, Brazil. ([email protected]) you’ll enjoy rapid improvements in your fitness level and ability. By Charlie Dunnill

14 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 15 STUDENT HIGHLIGHTS & NEWS STUDENT HIGHLIGHTS & NEWS

were starting to ache, and my knees were twinging a lot when I stepped onto them. London Marathon 2012 Apparently, muscle fatigue pain is not actual pain, but your brain telling you to stop Sujata Kundu Postgraduate Student in Chemistry moving just in case you run out of oxygen, and that you should be able to think your way out of the pain and on a little further. I kept this in mind, and carried on through the On Sunday 22nd April 2012, I completed my first Marathon. Those of you that know me pain, when I noticed a banner hanging out of a window fluttering in the breeze with my will be aware of the fact that I am perhaps UCL Chemistry’s most diminutive member, last name on. We Kundus are not made for Marathon running, so I was intrigued that known throughout my undergraduate and PhD career as the girl whose heels can there may have been another Kundu brave or stupid enough to take on the challenge! always be heard resonating around the lab. I finally won a ballot place back in October, As it turned out, I was still the only Kundu running, as closer inspection revealed that having initially decided to apply for the London Marathon in 2006, when my extremely it said ‘Suze Kundu’ and was hanging out of my friend’s flat in Surrey Quays. It was a fit and active Dad underwent surgery for heart bypass surgery. He was home and on really special moment, and I felt loved enough to ignore the pain for another mile or two. the mend within a week, and it amazed me that in just over half a century, since the first open heart surgery was performed in 1952, the ongoing research by scientists Mile 11/12 was where things started to get really painful. My tendons, usually the first such as ourselves had resulted in such an efficient method of fixing a common, often thing to hurt, were fine thanks to my leg warmers keeping them nice and toasty, however undetected, problem. Much of this research is funded by the British Heart Foundation slower. Secondly, the first half was simply my knees were grating every step I took. I put my iPod on, and listened to two songs, (BHF), who also provide a range of support materials for those undergoing surgery a journey to get to the second half, which but people were still cheering my name, and I felt so rude not responding, as I had been and their friends and family. As it was an area of science unfamiliar to my parents (both was the real race test. Finally, nothing can saying thank you all around the course up until now. I also felt isolated, separated from economists) and myself (a very inorganic chemist indeed!), the information was useful prepare you for the emotional experience the united atmosphere, so I took them out. Those two songs took me through my first and interesting, and also reassuring. The BHF are a charity that has to raise a lot of of the day, and the adrenaline coursing low moment of doubt, however there was a buzz in the air, the sun was still shining, and funding to carry out vital research so I wanted to do something to raise some money through your veins is more powerful than suddenly I recognised the road crossing in front of me. Tower Bridge Road. One right for them. Something that would really challenge me, to ensure that people would want any energy gel or isotonic drink. These turn to one of the most iconic stretches of the Marathon course. I had made it to the to sponsor me. I decide to run the London Marathon. 26.2 miles (26 miles, 385 yards. things were all true. bridge. I was almost half way! I collected my medal and goodie bag, and 42.195 km). To any normal human being, these are big numbers. When you are 4ft retrieved my belongings, which meant I 10in tall, it seems even more daunting. As many have pointed out, for me it was more The route was lined with people, music, Over the bridge, and right onto a part of the course where mile 13 and mile 23 are could finally put a pair of heels back on! like running two Marathons! I also have hypermobile joints, which are very flexible and plastic pint glasses filled with cold, located side by side, with the two streams of runners running in opposite directions. I My knees may have given up, but my and prone to injury; perfect for the 26 years of ballet that I have done, but terrible for tempting beer! As the miles clocked up, was three hours into my journey, and people were already at mile 23. They had run ten tiara was still firmly in place, along with running. I started to spot a theme in the choice of extra miles in the time it had taken me to do 13 miles! They looked exhausted. People that smile. song. ‘Keep On Running’ by the Spencer were already hobbling, but carrying on. The difference that I noticed was that while they It was time to refuel which, after 26.2 I have never been a runner, and was unsure of where to start. Naturally, my first port of Davis Group, ‘We Are The Champions’ by looked pained at mile 23, everyone at mile 13 was still smiling. I smiled throughout, miles, meant eating all the cake I call was Google. Armed with a credit card and a colour-scheme in mind, I learned about Queen, good old ‘Don’t Stop Believing’ by even through the worst of my pain, which at mile 14 was unbearable in both my knees could manage. I got home, had a bath, the kit I needed and purchased all manner of Lycra-based gear. The most important Journey, and my absolute new favourite and my lower back. I stopped at the St. John’s Ambulance tent at mile 15, and they stretched out and ate some dinner before thing for ‘running’ (I will use this term to loosely describe the ambling motion that I Marathon memory song,’ 500 Miles’ by set about strapping me up. Unfortunately they had no private booths available, so they the painkillers wore off and I was in real have now perfected) is to wear shoes made to support your arches, which required The Proclaimers. When we were running bandaged over my black running trousers, while I stuffed my face with Gummy Bears agony. I went to bed with my medal still a visit to a shoe shop. As you can imagine, quite the hardship for a girl that loves past the pubs playing this, the crowd were and a nibble of my candy bracelet given to me by another friend. Fifteen minutes and around my neck. shoes! My excitement was quickly extinguished when I was forced to take my socks doing the first ‘Da-la-la-laah’ followed by two paracetamol later, I was back on the route alongside Peppa Pig and Spiderman. off and run across a device that analyses your gait (the shape of your footprint). Having the runners, arms aloft, echoing them. Naturally. The pain lasted two days, but by determined that I was fairly flat-footed, mostly likely due to the hypermobility, I picked It was an amazing experience, and a Wednesday morning I was walking more out some shoes with the required support, and I was ready. beautiful sight to see all of these people of At mile 16, I realised that running was no longer an option. The extra support on my or less normally. It was worth all the different ages, from different backgrounds knees might hold me up to the finish line, but I would have to hobble the remaining agony. Thanks to some very generous Despite having won a ballot place, as I had decided to run for the BHF, I was invited and professions united in song, running nine miles, thankfully with others that had picked up injuries along the way and had friends and family, I have raised some to their training sessions in November 2011 and February 2012. I met other BHF and atrocious dance moves! resigned themselves to the same fate. Three miles into this nine miles, the rains came. important funds for the British Heart Heart Runners (what the BHF call their charity running team members), and had an I hadn’t realised it at the time, but I had managed to catch the sun on my cheeks, nose Foundation. Thanks also go to the British assessment session with Full Potential; the personal training team helping the Heart I had a run-walk strategy, and I was and forehead. When the rain started, the chemistry taking place on my face wasn’t Heart Foundation for their support, to Full Runners to achieve our goals, whether these were 10K runs, half Marathons, or full conscious of not burning out too soon ideal. Sweat had crystallised into salt crystals, which were now dissolving on my face Potential for the training plans and advice Marathons. After assessment, I was sensibly demoted from the initial ‘Sub 5 Hour’ so that I could run key parts of the and running into my eyes and all over my sunburnt face. I was literally rubbing salt into (and last minute counselling!), and to St. training plan to the ‘Just Get Me Round’ training plan! Training was tough and requires course, like Tower Bridge and the final my wounds. Volunteers and supporters were dishing out ponchos at mile 21, which I John’s Ambulance, without whose help I a great deal of commitment and determination, especially through the snow and cold few yards up from Buckingham Palace. gratefully took. The rain was one thing, but the wind was another. I was freezing cold! would never have completed the course. rain but I tried to follow my pre-training plan through to the New Year, and my 16-week I tried desperately to stick to my run- Mile markers seemed few and far between at this stage, but we finally made it back to plan from January 2nd to Race Day as best I could, thesis-writing permitting. walk strategy however, when I was the Tower of London. It was just a stroll along the river, just a stroll, just a... *sigh* No amount of training can really prepare approaching Cutty Sark, something you for a Marathon. This is why I firmly Race Day started early, after a night of broken sleep. I made my way up to beautiful happened and I couldn’t stop. I wanted Finally, the London Eye was in sight. Once I could see Big Ben I knew I was almost believe that you should all try it once. It Greenwich Park in unexpected sunshine, making friends on the way to my start line, to enjoy every second of having the home. My poncho was so wet, as was I underneath it, and the cheers of ‘Suze! Go is not something to be taken lightly but wearing a strange outfit including a tutu and a tiara that came about as a result of the privilege of running around the newly Suze!’ had started again. The supporters and spectators remaining at this stage were it is something that will remain with me genius (or not) idea of letting sponsors suggest the accessories that I would wear rescued and opened Cutty Sark. So I ran, legends, having also braved the rain. It was then that I noticed a particularly rowdy forever. during the race. The race started at 9:45am, so I made my way to my allocated start waving at people perched on top of the bunch, and realised that my parents and friends were in the crowd! I didn’t even notice zone with new friends and a whole host of fancy dress characters. It was then that I Cutty Sark and the crowds and cameras. crossing the mile 25 marker; I was just so pleased to see familiar faces. They had realised that I was going to be overtaken by the rhinos, a teapot, Peppa Pig and a duo I was one of those runners! After the Cutty been tracking my progress online thanks to a tracker tag that all runners were given at on stilts, which I still maintain is cheating, amongst others! Sark, I continued my run-walk strategy, registration, which registers running times every 5K, and so the bandages explained usually chatting to others while walking, the sudden drop in pace that they had noticed. Starting the Marathon was a thrilling experience. I was so emotional, seeing the crowds as some people were already having to lining the route, shouting my name, which had been ironed onto my HeartRunners top. give up on running due to injury, or were We were at Big Ben before I knew it, and then the signs started. 800m TO GO! 600m Children and adults held their arms out for us to high five as we ran past. Houses had also alternating walking and running or TO GO! 400m TO GO! Before I knew it, I turned the corner to find the 385 YARDS TO speakers hanging out of front doors and windows, playing music. As I turned my first walking the entire course. GO sign. We had made it. This was it! My legs weren’t working the way they should, but corner I heard Journey’s ‘Don’t Stop Believing’, which I had hoped would be my Finish if ever there was a time to run, this was it. The final drop of adrenaline killed the pain for Line song, so it felt special to hear it during mile 2. My friend had made me a Marathon The next couple of miles were strange. long enough to get me over that line, and while using the term ‘run’ seems a little like playlist for my iPod, with 6.5 hours of music to keep me going, however I ended up I think this was where mind needed to false advertising, I shuffled my legs up The Mall and over that finish line, singing Don’t only listening to three songs, each of which was during a bit of a low point, because conquer over matter. My miles remaining Stop Believing! for the remainder of the time I was enjoying the atmosphere of the crowds and hearing were now under 20, but with that came the people shout my name! In an attempt to save my hypermobile joints, my strategy to run terror that I still had almost twenty miles I had completed the London Marathon, and raised almost £2K for the British Heart the Marathon was to run for ten minutes and walk for five, thus reducing the impact on left, and I had only done six, and that Foundation. I had ticked something else off my list of 101 things to do in my life. And I my ankles, knees, hips and back. I received two pieces of advice at the start line, and felt like quite enough already, especially was smiling throughout all 7 hours, 16 minutes, 32 seconds of it! It took forever, but I one before the race from a previous finisher. Firstly, if you think you’re going slowly, go in the unexpected sunshine. Muscles finished!

16 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 17 STUDENT HIGHLIGHTS & NEWS ALUMNI MATTERS

The RSC and BBC work together on the Lab Dinner 2012 Calling all Alumni We would love to hear about your Bang Goes the Theory tour – Bang LIVE Date: 23rd November 2012 career and life since leaving UCL, with By Leanne Bloor Time: From 5.30pm Venue: Christopher Ingold Building, UCL a view to possibly including your story in the next Newsletter. You may have heard of BBC One’s television programme Bang Goes the Theory, an 18,000 people pass through the tent over We hope that many of you will come to this year’s dinner, which is educational science show with presenters Dallas Campbell, Liz Bonnin, Jem Stansfield three days. Setting up an inflatable tent If you would be willing to write a being held on Friday 23rd November 2012. and Dr. Yan Wong. Alongside the TV show runs a roadshow of the same name, touring in the centre of British cities may seem piece for the next Newsletter, please the country and bringing awe inspiring science to general public. It involves a LIVE like an extravagant way to spend people’s contact, Nicola Best via email: show by the presenters where they demonstrate and get the audience to participate The dinner will be preceded by the Thomas Graham Lecture of the Royal Society television licence money, but if we inspire [email protected] with subject in explosive stage experiments that wow spectators whilst getting across scientific of Chemistry, which this year is being given by Professor Tom Welton from Imperial large groups of children and parents heading “Newsletter Alumni”. concepts that hope to inspire the future generation into a scientific career. Alongside who wouldn’t normally seek out science College, who is the current Head of the Chemistry Department. His talk is entitled the LIVE shows is a giant, inflatable, interactive tent which hosts a variety of hands on in their spare time, to get involved with “Ionic Liquids for Sustainable Chemistry”. demonstrations provided by both the BBC and their partners. science in schools and beyond, then we may well have planted the seed for future Last year’s Lab Dinner was held on Friday 25th November 2011 and was attended by I myself volunteered at the Bang events as a science busker for the BBC that I had generations to choose jobs within the 116 guests. The dinner was preceded by the Thomas Graham Lecture, which was gotten into via the STEM ambassador scheme during 2011. Demonstrating a series scientific field. And that, to me, is money given by Professor David Phillips O.B.E., of Imperial College, a current President of Brian Sanderson of ‘street science’ experiments, we would stand outside our tent and allure bystanders well spent and invested! the RSC. His talk is entitled “Prosperity through Chemistry”. The toast to The Lab inside to see the wondrous experiments going on, showcased by the BBC’s partners. was proposed by Dr Mike Johnson who came to the Department as an ICI Fellow Since leaving UCL, Brian Sanderson Up until the end of 2011, these partners included the Open University, Society of and was appointed to the staff in 1961. Many students will remember him as Senior has had an interesting career in Biology and the Institute of Physics. I had join the Bang team for their shows at the Treasurer of the Students’ Union and Warden of both Max Rayne and Ifor Evans the Public Service covering anti- Cheltenham science festival, Coventry Godiva festival and Cwmbran show and as a Halls. He retired in 1984 to pursue his other interests, in particular play-writing. dumping investigations and industry chemist I felt under represented with the lack of Chemistry presence and wondered if development, in the Committee office More information and an application form to attend this event can be found on-line at: the Royal Society of Chemistry could get involved. By the Manchester science festival of the Senate, and latterly teaching in October 2011 I organised a bunch of local enthusiastic chemists to demonstrate http://www.ucl.ac.uk/chemistry/alumni/lab_dinner woodwork to young people and a range of specifically chemistry based experiments to go along side biology and running a woodwork business. Brian physics. The BBC show was finally scientifically balanced! worked at Borax Research Ltd. which first brought him into contact with The show was a success! After speaking to around 4,000 people and left with no voice, the BBC’s Bang team asked us back again in December 2011 for a one off sports Professor Davies; this work involved special event and signed the RSC up for the 2012 tour. This year we have visited bleaching activators for sodium Edinburgh in April, Sheffield in May and Poole in June 2012. We’ve demonstrated In Memoriam perborate. Brian has recently learnt magnetism using ferrofluids, (thanks to an exhibit from the Ri) and the properties of that the first stabilisation of sodium CO2 by allowing kids to blow bubbles that ‘float’ in a box of dry ice. We’ve also had 20 perborate in the washing formulation Dr Peter Merriman 1929-2011 Persil was due to his wife’s great different pot luck smells, both nasty and nice, that introduce the concepts of ‘why do Do you like this smell? uncle Otto Liebknecht. Uncanny thing smell?’, functional groups and optical isomerism as well as using the blue bottle And later explaining the concept of optical We are sorry to report the death of Dr Peter Merriman who sadly experiment to demonstrate redox reactions. Additionally, Joe Manzi (2nd year Eng isomerism to this kid using his hands as an passed away on 28th December 2011, at the age of 82. He linkages! Doc) joined the Bang team in 2012 and wowed the public with his scientific knowhow example of objects that aren’t super imposable completed a Ph.D. with Hughes and Ingold in 1953, and spent as a ‘science busker’. The roadshows have been a great success, seeing on average three years in the RAF on a Short Service Commission teaching electronics. He became a chemistry teacher before changing to be in charge of graduate recruitment for a major paper manufacturing company. He then served with the Chemical Industries Association, mainly in their Health, Safety and Environment Directorate. In his retirement he was involved in Bletchley Park as a member of the Colossus Rebuild Team and Frank King has a large amount as a Volunteer Guide. He also acted as the Honorary Secretary of experience that could be of use to of the Newcomen Society for the Study of the History of Engineering and Technology. the projects at UCL. Frank joined the We saw him last in November 2011 at the Lab Dinner, where he has been a regular department in 1969 and graduated in attendee for many years. 1972 with a First Class Degree. He went onto study a D.Phil at Sussex, before taking a Post Doc position at Liverpool University. He then had a Professor Rory More O’Ferrall 1937 - 2012 29 year career in the pharma industry We are sorry to report the death of one of our distinguished and rose to become the Vice President alumni, Rory More O’Ferrall who died on 15th June 2012. He of Medicinal Chemistry and Drug graduated in the department in 1958 and worked for his Ph.D. Metabolism at GSK with responsibility under John Ridd’s direction. He continued to do research in for pre-clinical development of the physical organic chemistry and was Professor of Chemistry compounds within neurology. If and Director of External affairs at University College Dublin. you would be interested in using his Explaining why things smell, whilst appearing He was an active member of IUPAC and gave the speech at the knowledge, please get in touch with to rap – I’m not, honest! Chemistry Lab Dinner in 1991. him. His details can be found on the UCL Directory.

The RSC team at BBC’s Bang LIVE, Manchester Science Festival, October 2012 during the International Year of Chemistry

18 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 19 ALUMNI MATTERS ALUMNI MATTERS

Dr Ray F.M. White 1927-2012 Donations 1 August 2010 to 21 May 2012 We also regret having to announce the death of Dr Ray White who sadly passed away on 1st May 2012, at the Those UCL Alumni and friends who have supported the department directly help us to build on our international reputation for age of 85. teaching and research and make a range of exciting activity possible. Your kind contributions have a direct impact upon our students and staff and we are very grateful for it. Ray graduated from the department in 1956 and carried out research with Prof. Ron Gillespie. They introduced the new technique of NMR spectroscopy to the department by the purchase of a Varian V4300 spectrometer operating Many of the contributions we receive help to fund our awards and student prizes, for example our Ronald Gillespie Award for at 40 Mc/s. Ray’s expertise was much in demand and he collaborated with others in the department (John Ridd, Inorganic Chemistry and The Viola Horsell legacy is being used to support a number of Impact Scholarships. Alwyn Davies, Leslie Fowden, Charles Vernon, Albert Wasserman) on a variety of problems ranging through amino acids, alkenes metallocenes, organic peroxides, and organometallic compounds. We continue to provide an excellent education and training environment for undergraduate and postgraduate students in Chemistry and all of my colleagues are developing innovative methods to inspire and instruct. It is great to know that we have Ray was always very proud of having been at UCL. His son Crispin can remember as a young child being taken your support and assistance as we work to do this. with his twin, Danny, on a Saturday outing to see Jeremy Bentham. He would take them off for the morning, whilst their mother shopped in Oxford Street. Crispin also remembers several trips to UCL to visit Ray’s labs and the huge NMR machine he used in the basement of Sir John Cass College. We would like to thank the following UCL Alumni Donors for their help to date:-

Crispin remarks “From time to time when we were at junior school, certain chemicals would appear at home, no questions asked, for an afternoon’s session in the garage. Both Danny and I followed Dad into chemistry, although not with his level of dedication, as both of us Dr Peter Geoffrey Allies - graduated in 1965 Dr J Michael Hollas - graduated in 1956 and 1959 have ended up as accountants. I once asked him if our failure to progress into chemical research longer term was a disappointment to him. Dr Douglas Ambrose, OBE - graduated in 1939 and 1949 Miss Tsu Yee Hon - graduated in 2002 His response was interesting - “I didn’t ever expect either of you to follow research longer term, you don’t have the right temperament, too much curiosity and not enough single-mindedness to stick to the point for long enough. The important thing is that in life you have made Dr John Henry Aupers - graduated in 1965 Dr Patricia Margaret Jackson - graduated in 1957 good use of the educational opportunities you enjoyed.” Professor Kim Elaine Barrett - graduated in 1979 and 1982 Dr Andreas G. Kafizas - graduated in 2007 and 2011 Ray was the first in the White family to go to university and as far as the family can establish its first chemist. Over the years he traced the Dr David Baxendale - graduated in 1965 Dr John Robert Arthur Kennedy BSc, PhD, MRCS - family line back for some two hundred years and was amused to report that like Arthur Dent in the Hitchhiker’s Guide to the Galaxy “we are Mr Gary Belchem - graduated in 1993 graduated in 1954 descended from a long and distinguished race of hairdressers”, as the White family which had lived round Farringdon in Oxfordshire for Mr Eric Allan Hill Bell - graduated in 1966 Mrs Tracy Ann Kergon - graduated in 1989 most of that time earning their livings as barbers and innkeepers. Dr Adrian Bradley - graduated in 1997 Dr Natalie Lambert - graduated in 2005 Ray himself was born in London in 1926. Towards the end of 1940, the family moved out of London to Bucks, living first in Hazlemere, Mr Andrew William Fraser Brown - graduated in 1984 Dr Susan Christine Mangles - graduated in 2002 and 2006 the resting place of Sir William Ramsey, formerly Professor of Chemistry at UCL awarded the Nobel Prize for Chemistry in 1904 for his discoveries of the inert gases. Ramsey seems to have been one of Ray’s inspirations to study chemistry. He attended the Royal Grammar Mr Gordon Hugh Brown - graduated in 1953 Dr Dominic Peter Mann - graduated in 2005 School in nearby High Wycombe and recalled that the School’s Physics Department had a vacuum pump carrying a brass plaque noting Mrs Mollie Brudenell - graduated in 1957 Mrs Ann E McKeown - graduated in 1971 that it had been used by Sir William in his prize winning research work on the Noble Gases. Ray also admitted that, notwithstanding wartime graduated in 1951 and 1954 graduated in 2003 supply restrictions, he was able to get hold of chemicals and equipment to enable him to pursue his own experiments in the garden shed. Dr Gabriel J Buist - Mr Benjamin John Merrifield- Professor Erwin Buncel - graduated in 1957 Mr John L. Pearson - graduated in 1953 Whilst he was in the sixth form, he was introduced to Ingold’s work on reaction mechanisms and from some old correspondence with his Professor Joseph F Bunnett - graduated in 1950 Mrs Susan Pamela Peters - graduated in 1980 form master whilst on national service, it appears that he made up his mind that he would rather study chemistry at UCL under Ingold once he was demobbed, than wait a further period before being able to take up a place at Oxford. Sir Stuart Burgess CBE - graduated in 1950 and 1953 Mr Mervyn L Rudkins - graduated in 1957 Squ Leader Peter Claridge - graduated in 1956 Mr Derrick Arthur Russell - graduated in 1966 Ray used his time on national service in Egypt well. He quickly worked out that volunteering to man the stores over-night gave him complete freedom to do as he liked during the day with plenty of uninterrupted study time both day and night. As he explained, it wasn’t necessary Professor Shawn Doonan - graduated in 1962 and 1966 Professor Agha A. Salam - graduated in 1993 to keep awake all night, only to be on call if required, in practice a relatively infrequent event. It proved a cushy billet, giving him access to Mr Michael James Edwards - graduated in 1992 Professor John Ernest Salmon - graduated in 1942 the best beds and bedding available, his own private quarters and food and drink at all hours. Dr Jack David Forrester - graduated in 1960 Mrs Pamela Zoe Self - graduated in 1943 He was reticent about access to laboratory facilities, but from the odd hints he dropped, it is believed the surrounding sands may have been Professor Peter W. Foster - graduated in 1951 and 1954 Dr Geoffrey Francis William Smith - graduated in 1957 used for the conduct of a number of more volatile reactions, which may have involved certain reagents culled from the extensive redundant Mrs Hanna Friedenstein-Chandler - graduated in 1941 Dr Adam Ian Sotowicz - graduated in 1976 medical stores on site. Dr Anthony C Gilby - graduated in 1962 Dr David Roy Stanley - graduated in 1976 Ray spent his career on the staff at Sir John Cass College, continuing to do research in NMR spectroscopy. Until recent years, he was a Professor Ronald J. Gillespie, FRS - graduated in 1944 Mr Ian P. Steeples - graduated in 1974 regular attendee at the Chemistry Lab Dinner. Crispin remarked on his love of books and bookshops at his funeral, and had kindly agreed to share these words with us: Professor Robert D Gordon - graduated in 1964 Professor Thomas W Swaddle - graduated in 1958 Dr Charles Dennis Hall - graduated in 1959 Mr Richard H Unthank - graduated in 1963 “Whatever enjoyment finding and buying books gave Dad; it was their contents which mattered more. He relished acquiring new knowledge and had a particular appetite for the recondite, although its acquisition was never for the purpose of intellectual one-upmanship. Dr Maurice J C Harding - graduated in 1960 Dr John Wells - graduated in 1965 Mr Frank Willam Haslam - graduated in 1969 Dr John Wilby - graduated in 1953 and 1956 Dad’s real pleasure in acquiring new knowledge was to be able to share it with others. Sharing it in a truly unselfish sense, to nurture Mr Norman Alan Hewson - graduated in 1972 Dr Susan Wilkinson - graduated in 1977 curiosity in others. Dad combined an innate desire to explain the workings of the universe with a great ability to communicate. Knowledge he imparted was invariably presented simply and clearly, usually with humour, and generally absorbed by recipients without them feeling Professor Hans Martin Rudolf Hoffmann - graduated in 1976 Dr Michael Robert Young - graduated in 1972 they had exerted themselves. When combined with Dad’s talent for moving one’s thinking from the broad and easy path into little unexplored intellectual byways, Dad’s impact as a teacher, in the broadest sense, was formidable and memorable.

45 or more years on, I can still remember sitting with a cup of tea and a biscuit whilst Dad carefully explained to Danny and I how to use In addition to the generous donors listed, a further 13 chose to make their gifts anonymously. algebra to solve one of those problems involving John who is four years older than Janet and twice as old as Robert, who two years ago We have made every attempt to ensure the information contained in this list is accurate and up to date. was half her age. The trick, he explained, is to make “X” the thing you don’t know. Then work out what you do know about “X”. Should you have any queries, please contact Mr James Davis from the Alumni and Relations Department via email at [email protected] I still use this approach to analyse problems on a daily basis - I bet there are hundreds of Dad’s former students who do the same.” To join your colleagues already enhancing the lives of students and staff in the Chemistry Department please visit the alumni pages I am sure you will agree that Ray will be sadly missed but not forgotten. on the Chemistry website http://www.ucl.ac.uk/chemistry/alumni and follow the ‘give a gift link. You can also download a gift form from at the following link: http://www.ucl.ac.uk/makeyourmark/how-to-give Special thanks go to Crispin who helped us write this piece, and to his family for the wonderful photograph.

20 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 21 ALUMNI MATTERS ALUMNI MATTERS

This greatly speeded up the operation and made it possible to isolate enough argon Edward Turner The History of Norman Collie and his Inventions to examine its properties in detail. Ramsay discovered argon in August 1894, and When the Department was opened When William Ramsay came to UCL as Head of Department in 1887, he appointed as early as November of that year he used Collie’s apparatus to demonstrate the in 1828, the first Professor to be UCL Chemistry Norman Collie as Assistant Professor. Collie had been at Cheltenham Ladies College isolation of the gas during an undergraduate lecture. appointed was Edward Turner. He was which was not to his liking. In Ramsay’s words in a song which he wrote and sang at Collie was fascinated by the fact that when neon bubbled up through mercury, each Department born in Jamaica in 1796 but came with a Lab Dinner: bubble showed a fire-red glow. The phenomenon is called triboluminescence. He his family to England with his family By Alwyn Davies & In Cheltenham his mission lay, made many sealed tubes containing mercury and neon which showed the discharge when he was a boy. He graduated in To train the girls in science when they were shaken. Figure 3 shows Professor Sella’s copy of one of Collie’s Peter Garratt. And demonstrate to them each day medicine in Edinburgh, but in 1820 designs. When the ring is held horizontally, and rocked, the pools of mercury break Some chemical appliance. decided to follow a career in chemistry, As many of you will know, at Steve over the indentations in the tube, and flash with the characteristic neon glow. Caddick’s instigation, we (Peter Garratt But weariness on him did press and at the time he was appointed at And deepest melancholy. and Alwyn Davies) are writing a book Ramsay sealed his noble gases at low pressure in simple tubes and used their different UCL he was Professor of Chemistry Right glad was he to come to me characteristic discharge spectra as identifying fingerprints. Collie was a painter and in Edinburgh. He died in 1837 at the on the history of the Department. This is Our friend J. Norman Collie. connoisseur of art. The colours touched his aesthetic sense and he made a number young age of 41 and no engraving or not aimed to be a work of scholarship, of convoluted discharge tubes to see what patterns he could draw. These tubes were portrait of him appears to have been but rather, we hope, a useful record of Collie left in 1897 to be Professor of Chemistry at the Pharmaceutical College the forerunners of our present “neon” display signs. One of his designs is shown made, the only image being the bust life and work in the Department which in Bloomsbury Square, but returned in 1902 to be our first Professor of Organic in Figure 4. which his students commissioned after alumni and others will find interesting Chemistry. From 1912 he was Head of Department until he retired in 1928. and readable. He had done his Ph.D. in Wurzburg and he had died, which presides over the He worked with Ramsay on the noble gases, and the photograph in Figure 1, which was back visiting there in November 1895 teaching laboratory. We have made reasonable progress. has just come to light in the archives, shows him contemplating a discharge in neon. when Röntgen accidentally discovered the For nearly the first century, the story is penetrating power of X-rays. Immediately fairly straightforward. There is one major He had so many interests outside he got back to London he began X-raying figure (Turner, Graham, Williamson, chemistry that he was accused of being any likely object which came to hand, such Professor Robert Lancashire a chemist only in his spare time. In the Ramsay) with their one clear-cut line Figure 3. Collie’s Figure 4. The forerunner as a fish, lizard, snake, hand, or human of the University of the West Indies words of C.R. Bailey, at a speech at the of research, which is well documented. triboluminescent ring of the neon display sign foetus. Figure 5 shows his picture of a has been searching the local records 1966 Lab Dinner “He climbed most of the Under the next three Heads – Collie, snake. for information of the Turner family and Donnan, and Ingold - there was some peaks in the Rockies and named half of has come across the following picture expansion and diversification, but we them. He was a beautiful water colourist, a In February 1896, University College which formed part of an advertisement have the draft complete up to the 1950s. first class fisherman, a jolly good shot, an Hospital sent to him an actress who had got by ICI in the local paper, The Daily international expert on china, and had the a needle in her thumb, and Figure 6 shows Gleaner, on 30 August 1948, about the It was after Ingold rebuilt the Department best poor man’s collection in England”. An two aspects of the thumb in X-ray pictures time when the UWI was founded. following the war, that its size increased obituary said “his outstanding personality, Figure 5. Collie”s Figure 6. Collie’s which Collie took to locate the needle, which and it became much more diversified, for many years, enriched the life of the X-ray image of picture of a needle in can be seen at the top right in both views.. ICI May of course have copied the and it is less easy to tell a coherent Figure 1. Norman Collie, probably about 1898. College and contributed a notable share a snake a woman’s thumb This is commonly claimed to be the first use image from our bust, but it does open story. to making UCL what it is”. of X-rays for medical purposes. the faint possibility that some picture of Turner exists elsewhere. We have decided to end most of the Outside chemistry he is best known as a pioneering mountaineer, and he was There was a great controversy at the end of the nineteenth century about the structure story in 1974 when Max McGlashan President of the Alpine Club from 1920-22. He was climbing on Nanga Parbat in the of benzene. A simple cyclohexadiene structure could not account for its non-olefinic was appointed as Head of Department. Himalayas with Hastings and Mummery in 1895 when Mummery and two Sherpas properties nor the absence of some expected isomers of substituted benzene. Many What happened after that is still fresh in were killed. different structures were proposed such our memory and has not yet congealed Within chemistry, he was a marvellous experimenter and inventor. Ramsay’s work as Kekulé’s dynamic model (1), Dewar’s into history so that we can view it with on the noble gases required the construction of elaborate apparatus in soda glass. with a para link (2), Claus’s centric some balanced perspective. 1 2 3 4 Everyone did their own glass blowing but Collie was called on as the recognised expert formula (3), or Ladendburg’s prism (4).. We hope to have the work complete when a particularly difficult job had to be carried out. Some of Collie’s inventions are Collie proposed that the necessary equivalence between different positions could be by the time of the next Newsletter. One shown here. achieved in a dynamic model which allowed for the interconversion of the two planar problem of course is that as soon as Ramsay’s method of isolating argon from air was to pass aerobic nitrogen over red Kekulé forms through a structure in which the carbon and hydrogen atoms adopted we have a section finished, we come hot magnesium, which removes the nitrogen non-planar arrangements. across something new which demands as solid magnesium nitride and leaves the In the Department, Collie’s structure was called the Collywobble. In the words of a a change. Thank you for all the inert gaseous “impurity”. Ramsay did this 1922 Lab Dinner song by O.L. Brady: memories which you have contributed, by a batchwise technique which required and please keep them coming. constant attention. Collie turned this into a Of the formulae for benzene continuous process in which the nitrogen There are some I can’t recall was continually recirculated over the But the Old Man’s is the best one magnesium. For it wobbles ‘tween them all Figure 2 shows the apparatus which Collie designed and built. True to form, he built mechanical wood and wire models to illustrate this and a picture from a Atmospheric nitrogen, from which the oxygen Figure 2. Collie’s device for isolating argon contemporary text book is shown in Figure 7. has been removed, is contained over water in the large reservoir B and connected to the glass circuit, where, at C, it passes over Cu/CuO (to remove any oxygen and hydrogen), then through D which contains P2O5 and slaked lime (to remove water and CO2), then finally over the red hot magnesium in E where the nitrogen reacts. On the left is a modified Sprengel pump in which falling drops of mercury at A entrap the gas in the circuit and pump it round in a clockwise direction, so that it repeatedly passes over the magnesium. The water pump at the top left lifts the mercury back to the top of the Sprengel pump. Figure 7. The interconverting Collywobble

22 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 23 ALUMNI MATTERS GRANTS AND AWARDS

Pure Beams of Free Radicals for Modelling Composition – Solubility

John William Draper Graham Doggett Dr Jonathan Dann GRANTS Studies of Radical-Surface Chemistry Relationships in Bio-Active When the College opened in 1828, has retired from the Mathematics Since graduating in 1996, Jonathan EPSRC Phosphate Glasses the Professor of Chemistry who was AWARDED Department at the University of York now has three daughters (twins £ 940,107 EPSRC appointed was Edward Turner. One of and is now living in Berkhamsted. He Esme and Isobel and recent arrival 20-Aug-12 £ 334,766 his students was John William Draper 2011-2012 is fighting a rare form of Alzheimer’s Edie). Jonathan now works as a PI: Prof Stephen Price 01-Apr-12 who later emigrated to the United disease and he and the author Terry Managing Director at Bear Stearns in Precursor Chemistry and the CVD of PI: Prof Nora De Leeuw States and became Professor of Pratchett, who is similarly afflicted, equity research covering the telecom Transparent Conducting Oxides Nucleation and Growth of Iron Chemistry at New York University. He have been active in the Azheimers sector. EPSRC Sulfides: Liking Theory and Global Engagement for Global Impact: had a distinguished career, particularly Society’s campaign.(see Google). £ 461,645 Experiment Strategic Interaction with China, India, in the new field of photography. He The second edition of his book with 01-Nov-12 NERC Germany and USA was the first to photograph the moon Martin Crockett, Maths for Chemists PI: Prof Claire Carmalt £ 333,718 EPSRC (1840) and the Great Orion Galaxy (ISBN 978-1-84873-359-5), has just 17-Aug-12 £ 72,000 (1880), and he is known as the been published in the Royal Society EPSRC Doctoral Training Grant PI: Prof Nora De Leeuw 01-Apr-12 first astrophotographer. of Chemistry’s Tutorial Chemistry Dr. Gregory Smith 2012-2016 PI: Prof Xiao Guo Texts series. EPSRC Effective Adsorbents for Establishing In 1876, Draper was the Founding is now Andrew W. Mellon Assistant £ 91,643 Solids Lopping as a Next Generation Global Engagement for Global Impact: President of the American Chemical Professor of Conservation Science 01-Oct-12 NG PCC Technology Strategic Interaction with China, India, Society; this happens to be the in the Department of Conservation PI: Prof Nora De Leeuw EPSRC Germany and USA same year as our Chemical and Science, Buffalo State College, £ 213,791 EPSRC Physical Society was founded. To Buffalo, NY, USA. (at UCL c. 2000). EPSRC Doctoral Training Grant 01-Aug-12 £ 72,289 commemorate the 125th anniversary 2012-2016 PI: Prof Xiao Guo 01-Apr-12 of their founding, and as part of EPSRC PI: Dr Andrew Wills their National Historic Chemical Linda Lim £ 342,572 Searching for ‘Cryptoelectrons’: Landmarks programme, the ACS (now Linda Lim Biaw Leng) who 01-Oct-12 Redox Chemistry of Insulating Institutional Sponsorship 2012 – struck a medal carrying Draper’s graduated B.Sc in 1987 and Ph.D. Materials University College London image, and they have presented one PI: Prof Ivan Parkin with David Crich in 1990, is a Senior EPSRC EPSRC to this department. It is shown below: Lecturer at the University of Brunei EPSRC Doctoral Training Grant £ 237,744 £ 8,332 Darussalam. They started a degree John Bloodworth 2012-2016 18-Jul-12 01-Apr-12 programme in Chemistry in 2005 and EPSRC PI: Dr Katherine Holt PI: Dr Susan Perkin she has been busy building up the was a B.Sc. and Ph.D. student in £ 85,643 research facilities and establishing the Department and then a Ramsay 01-Oct-12 Modelling Radiation Effects in Molecular Modelling for Energy a research programme focussing Fellow, and a member of the staff PI: Prof Charles Marson Complex Materials for Nuclear Energy Efficiency on indigenous natural products and from 1968 to 1998. He is living in Applications ROYAL SOCIETY biomas. Southampton where his wife, Sally, EPSRC Doctoral Training Grant ROYAL SOCIETY £ 150,000 is on the staff of the University’s 2012-2016 £ 158,246 01-Mar-12 Chemistry Department. EPSRC 01-Jul-12 PI: Prof Nora De Leeuw £ 85,643 PI: Prof Nora De Leeuw 01-Oct-12 A New Approach to the Chemical PI: Dr Michael Porter Catalytic Transformation of Bio- Modification of Antibodies Via Derived Platform Molecules Maleimide Bridging of Disulfides Complexity-Generating Hydration EPSRC BBSRC Wang Chan Reactions via Metal-Catalysed £ 66,826 £ 140,099 Reaction of Boronic Acids with 01-Jul-12 01-Mar-12 who graduated in 1983, teaches Alkenes PI: Prof Paul McMillan PI: Dr Jamie Baker

chemistry in a secondary school run Kai Ng EPSRC by the Tung Wah Group of Hospitals, £ 345,136 Development of Novel Sulfonamide- Survival and Adaptability of a not-for profit charity in Hong Kong. (Ph.D. with Alwyn Davies in 1990) is at Hong Kong University of Science 10-Sep-12 Based Peptide Therapeutics Organisms at Gigapascal Pressures His daughter Elizabeth is doing a PI: Dr Tom Sheppard WELLCOME TRUST LEVERHULME TRUST statistics degree here at UCL. and Technology where his research involves collaborative industrial £ 1,520 £ 164,159 projects with local companies in Studies of Non-Covalent Interactions 01-Jul-12 20-Feb-12 technology development and transfer. of Functional Groups with PI Systems PI: Dr Jon Wilden PI: Prof Paul McMillan He will be visiting the Department this LEVERHULME TRUST August. £ 155,648 Centre for Catalytic Science: Large Scale Lattice Boltzmann for 01-Sep-12 Coordinating, Promoting and Biocolloidal Systems PI: Prof William Motherwell Advancing the UK Catalysis Sector EPSRC Dr. Loraine Foley EPSRC £ 519,283 Development of Novel Sulfonamide- £ 628,407 01-Feb-12 is a PDRA at the Department of Based Peptidomimetics 01-Jun-12 PI: Prof Peter Coveney Biochemistry, University of Cambridge. LEVERHULME TRUST PI: Prof Richard Catlow (at UCL, c. 2000) £ 78,170 01-Sep-12 PI: Dr Jon Wilden

24 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 25 GRANTS AND AWARDS GRANTS AND AWARDS

Mechanisms of Lubrication by Nano- HPC Simulations of Complex Solids 2011-20 Confined Ionic Liquid and Clusters using Static Lattice EPSRC NEW STUDENTSHIPS TAIHO KOGYO TRIBOLOGY Techniques £ 69,121 HELEN KIMBER – Interstellar JANE DISNEY - Computational ANDREW SMITH – Modelling of the RESEARCH FOUNDATION EPSRC 01-Oct-11 Reactions on and under Molecular Screening of Supported Metal Films Hyperstoiciometric U03, U308 and £ 15,739 £ 272,438 PI: Prof Helen Hailes Ices (Sponsor: MAX PLANCK) (Sponsor: Johnson Matthey Plc) U409 Phases 15-Jan-12 01-Oct-11 Supervisor: Dr Stephen Price, Supervisor: Prof Nora De Leeuw, (Sponsor: Atomic Weapons PI: Dr Susan Perkin PI: Dr Scott Woodley Spotlight on the Water Molecule: The commencing on 01 Jan 2013 commenced on 01 Oct 2011 Establishment (AWE). Dynamics & Chemistry of its Solid Supervisor: Prof Nora De Leeuw, Form Deep Life 1: Microbial Carbon The Role of Solution Chemistry - Process for the commenced on 01 Oct 2011 ROYAL SOCIETY FAHAD SYED ROBERT FOSTER – The Transformation in Rock Hosted Deep in Controlling Molecular Crystal Manufacture of CD Sulphide and £ 535,485 Development of Sustainable Routes Surface Habitats Polymorphism De-containing Pigments and their 01-Oct-11 towards Highly Functionalised R HUCKVALE – Trafficking of Gabaa ALFRED P SLOAN FOUNDATION ROYAL SOCIETY Precursors PI: Dr Christoph Salzmann Aromatic Rings Using (2+2+2) Receptors £ 130,241 £ 84,307 (Sponsor: James M. Brown Ltd.) Cyclotrimerisation Reactions. (Sponsor: PFIZER Ltd) 01-Jan-12 01-Oct-11 Supervisor: Prof Jawwad Darr, (Sponsor: GlaxoSmithKline Research Supervisor: Dr Jamie Baker, PI: Prof Paul McMillan PI: Dr Devis Di Tommaso EUDAT - EUropean DATa commencing on 24 Sep 2012 and Development Ltd) commenced 26 Sep 2011 EUROPEAN COMMISSION FP7 Supervisor: Helen Hailes, commenced £ 171,911 Latent Thioesters in Protein MRC Doctorial Training Grant (DTG) - Anti-Friction on 01 Oct 2011 01-Oct-11 TOMOS HARRIS PRAGNA KIRI – Polyoxometalate Chemistry and Chemical Biology 2011-2015 Coatings (Sponsor: SABMiller plc) PI: Prof Peter Coveney Catholytes for Fuel Application EPSRC MRC Supervisor: Prof Ivan Parkin. JOE MANZI – Transparent (Sponsor: ACAL Energy Ltd) £ 331,401 £ 63,274 commencing on 24 Sep 2012 Conductive Oxide Coatings on Glass Supervisor: Prof Claire Carmalt, 01-Nov-11 01-Oct-11 Scalable Quantum Chemistry with (Sponsor: Pilkington Plc.) commenced 26 Sep 2011 PI: Dr Derek Macmillan PI: Prof Stephen Caddick Flexible Embedding - Crystal Supervisor: Prof Ivan Parkin, EPSRC REBECCA HYLTON Structure Prediction of Chiral commenced on 01 Oct 2011 £ 212,366 ALEX O’MALLEY – Neutron Inspire: Robust Bicatalysis for Energy CRESTA – Collaborative Research Molecules 01-Oct-11 Scattering Studies of Microporous Solutions (2) into Exascale Systemware, Tools and (Sponsor: Max Planck) PI: Prof Richard Catlow ADAM CRYAR – The Development of Catalysts (Sponsor: Science & EPSRC Applications Supervisor: Prof Sally Price, Mass Spectrometry and Ion-Mobility Technology Facilities Council (EX- £ 10,000 EUROPEAN COMMISSION FP7 commencing on 24 Sep 2012 Based Methods for the Study of PPARC)) 01-Nov-11 £ 413,730 Towards a Fundamental Oligonucleotide Structure, Topology Supervisor: Prof Richard Catlow, PI: Dr Susan Perkin 01-Oct-11 Understanding of Smart Windows KAROLINA BIEGAJ - Development and Interactions commenced 26 Sep 2011 PI: Prof Peter Coveney Coating Based on Doped Vanadium of Novel Sulphonamide Based (Sponsor: Waters UK Ltd). Oxide Sizing Forensic Nucleotide Repeat Peptide Therapeutics Supervisor: Dr Konstantinos EPSRC FLETCHER - BBSRC PhD Training Sequences with Nanopores Energy Surf: Surfaces of Energy (Sponsor: Wellcome Trust). Thalassinos, commenced on £ 86,303 Programme (Sponsor: BBSRC) LEVERHULME TRUST Functional Metal Oxides Supervisor: Dr Jon Wilden, 01 Oct 2011 01-Sep-11 Supervisor: Dr Jamie Baker, £ 113,001 EUROPEAN COMMISSION FP7 commenced on 01 Jul 2012 PI: Dr Ricardo Grau Crespo commenced 26 Sep 2011 04-Oct-11 £ 1,773,511 CLAIR CHEW – Transparent PI: Dr Stefan Howorka 01-Oct-11 LIAM BENNETT - Oxidative and Conducting Oxides and Tco- - Open Petascale PI: Prof Geoff Thornton Research Visit to Lawrence Berkeley GARY DAVIES Reductive Properties of Rare-Earth Nanoparticle Composites LB3D (Sponsor: Fujitsu Laboratories Laboratory for Metal Oxide/Liquid Theoretical Studies of Actinide Metal Oxides: Co Oxidation and No (Sponsor: Johnson Matthey Plc.) of Europe Ltd). Interfaces at the Advanced Light Complexation with Macrocyclic BB/I016635/1 Reduction Supervisor: Prof Ivan Parkin, Supervisor: Prof Peter Coveney, Source Ligands: Identifying Synthetic Targets BBSRC (Sponsor: Johnson Matthey Plc) commenced on 01 Oct 2011 EPSRC commenced 12 Sep 2011 and Real-World Applications £ 99,932 Supervisor: Prof Nora De Leeuw, EPSRC 01-Oct-11 £ 21,034 commenced on 01 Oct 2011 RICHARDS & TRAN – Understanding - Water Splitting £ 594,433 PI: Dr Jamie Baker 01-Sep-11 BEN ROBINSON Childhood Resilience and the Impact Diodes Project; TWI Coatings 01-Oct-11 PI: Prof Geoff Thornton - The Bubble of Maltreatment: A Neurocognitive Eng.D.(Sponsor: TWI LTD). PI: Dr Andrew Kerridge KAY ALICIA RIGBY 2011-20 Nucleation, Growth and Subsequent Investigation Supervisor: Prof Jawwad Darr, Flame Electrolytic Deposition; EPSRC Effects on the Physiochemical (Sponsor: Novartis Pharmaceuticals commenced 01 Sep 2011 Feasibility Study A More Rational Design of Bioactive £ 69,121 Properties of Palladium Tritide UK Ltd) Keytech Advisory Ltd Glasses based on Computer 01-Oct-11 (Sponsor: Atomic Weapons Est. (AWE) Supervisor: Dr Jamie Baker, £ 25,000 Modelling PI: Mr. Mark Burgess Supervisor: Prof Nora De Leeuw, commenced on 01 Oct 2011 01-Sep-11 ROYAL SOCIETY commenced on 01 Oct 2011 £ 360,789 PI: Dr Daren Caruana 01-Oct-11 PI: Dr Antonio Tilocca

26 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 27 PUBLICATIONS PUBLICATIONS

A M. H. Abraham, L. Honcharova, S. A. Rocco, sulfonyl)imide, 1-propyl-1- correlations for solute transfer into ionic phosphorus pentoxide. JOURNAL OF Ascenzi, D and Aysina, J and Zins, EL and M. H. Abraham, T. W. Stephens, A. Wilson, W. E. Acree, Jr. and K. M. De Fina. The methylpiperidinium bis((trifluoromethyl) liquid solvents, Global J. Phys. Chem., 1 CHEMICAL PHYSICS, 135 (23) , Article Schroder, D and Zabka, J and Alcaraz, N. Dabadge, A. Tian, H. J. Hensley, M. lipophilicity and hydrogen bond strength sulfonyl)imide, and 1-butyl-1-methyl- (2010) 1-19. ARTN 234513. 10.1063/1.3666017. C and Price, SD and Roithova, J (2011) Zimmerman and W.E.Acree, Jr. Correlation of pyridine-N-oxides and protonated pyrolidinium thiocyanate, J. Soln. Chem., Double ionization of cycloheptatriene of solute partitioning into isooctane from pyridine-N-oxides, New J. Chem., 35 2011, 40, 2000-2022. M. H. Abraham, L. M. Grubbs, M. Saifullah, N. Alhumaimess, M and Lin, Z and Weng, and the reactions of the resulting C7Hn2+ water and from the gas phase based on (2011) 930-936. E. De La Rosa, S. S. Achi and W.E.Acree, Jr. W and Dimitratos, N and Dummer, NF dications (n=6, 8) with xenon. PHYS updated Abraham equations, Global J. M. H. Abraham, R.E. Smith, R. Luchtefeld, Mathematical correlations for describing and Taylor, SH and Bartley, JK and Kiely, CHEM CHEM PHYS, 13 (41) 18330 - 18338. Phys. Chem., 2012, 3: 9 M. H. Abraham, K. Holley and W. E. Acree, Jr. A. J. Boorem, R. Luo and W. E. Acree, Jr. solute transfer into functionalized alkane CJ and Hutchings, GJ (2012) Oxidation 10.1039/c1cp21634a. Determination of Abraham model solute Prediction of solubility of drugs and other solvents containing hydroxyl, ether, ester of Benzyl Alcohol by using Gold M. H. Abraham and R. P. Austin, descriptors for 2-ethylanthraquinone based compounds in organic solvents, J. Pharm. or ketone solvents, Fluid Phase Eq., 298 Nanoparticles Supported on Ceria Foam. B The effect of ionized species on microsomal on measured solubility ratios, Phys. Chem. Sci., 99 (2010) 1500-1515. (2010) 48-53. CHEMSUSCHEM , 5 (1) 125 - 131. 10.1002/ Baboo, JZ and Galman, JL and Lye, GJ and binding. Eur. J. Med. Chem., 2012, 47, 202-205. Liquids, 49 (2011) 355-365. cssc.201100374 Ward, JM and Hailes, HC and Micheletti, M.H.Abraham and W.E.Acree, Jr. Equations M.H.Abraham and W.E.Acree, Jr. M (2012) An automated microscale M. H. Abraham, R. Sánchez-Moreno, J. M.H.Abraham and W.E.Acree, Jr. Hydrogen for the transfer of neutral molecules and The transfer of neutral molecules, ions Aliev, AE and Mia, ZA and Khaneja, HS and platform for evaluation and optimization E. Cometto-Muñiz and William S. Cain, bond descriptors and other properties of ionic species from water to organic phases, and ionic species from water to ethylene King, FD (2012) Structures in solutions of oxidative bioconversion processes. An algorithm for 353 odor detection ion pairs, New J. Chem., 35 (2011) 1740-1750. J. Org. Chem., 75 (2010) 1006-1015. glycol and to propylene carbonate; from joint experimental-computational Biotechnology Progress, 28 (2) 392 - 405. thresholds in humans, Chem. Senses, descriptors for pyridinium cations, New J. analysis: applications to cyclic molecules 2012, 37, 207-218. M.H.Abraham and W.E.Acree, Jr. M. H. Abraham, R. Sánchez-Moreno, J. Gil- Chem., 34 (2010) 2298-2305. and studies of noncovalent interactions. J Baboo, JZ and Galman, JL and Lye, GJ and Partition coefficients and solubilities of Lostes, W. E. Acree, Jr, J. E. Cometto-Muñiz Phys Chem A , 116 (3) 1093 - 1109. 10.1021/ Ward, JM and Hailes, HC and Micheletti, M. H. Abraham, W. E. Acree, Jr. and compounds in the water-ethanol solvent and William S. Cain, The biological and M.H.Abraham and W.E.Acree, Jr. The jp211083f. M (2012) An automated microscale L. M. Grubbs . “Prediction of Partition system, J. Soln. Chem., 40 (2011) 1279-1290. toxicological activity of gases and vapors, transfer of neutral molecules, ions and platform for evaluation and optimization Coefficients and Permeability of Drug Toxicology in Vitro, 24 (2010) 357-362. ionic species from water to wet octanol, Aliev, AE and Law, RV, (2011) Solid-state of oxidative bioconversion processes. Molecules in Biological Systems with M. H. Abraham, T. W. Stephens, N. E. De Phys. Chem. Chem. Phys., 12 (2010) 13182- NMR spectroscopy. In: Kamienska-Trela, K, Biotechnol Prog, 28 (2) 392 - 405. 10.1002/ Abraham Model Solute Descriptors La Rosa, M. Saifullah, S. Ye, V. Chou, A. M.H.Abraham, W.E.Acree, Jr., A. J. Leo, 13188. (ed.) Nuclear Magnetic Resonance. (254 - btpr.1500. Derived from Measured Solubilities N. Quay, W.E.Acree, Jr. Abraham model D. Hoekman and J. E. Cavanaugh, Water- 310). RSC Publishing.: Cambridge. and Water-to-Organic Solvent Partition correlations for solute partitioning into solvent partition coefficients and log M. H. Abraham and J.E. Cometto-Muñiz. Bachman, M and Mann, SE and Sheppard, Coefficients” in Toxicity and Drug Testing o-xylene, m-xylene and p-xylene from P values as predictors for blood-brain Structure-activity relationships on Aliev, AE and Mann, SE and Rahman, AS TD (2012) Rapid synthesis of highly (W. E. Acree, Editor), INTECH Publishers, both water and the gas phase, Fluid Phase distribution, J. Pharm. Sci., 99 (2010) 2492- the odor detectability of homologous and McMillan, PF and Corà, F and Iuga, functionalised alpha-amino amides Chapter 5, pp. 91-128 (2012). Equilib., 308 (2011) 64-71. 2501. carboxylic acids by humans, Exp. Brain D and Hughes, CE and Harris, KD (2011) and medium ring lactones using Res., 207 (2010) 75-84. High-resolution solid-state 2H NMR multicomponent reactions of amino M. H. Abraham, W. E. Acree, Jr. and M. H. Abraham, K. Zhang, M. Chen, G. K. M. H. Abraham and J. E. Cometto-Muñiz. spectroscopy of polymorphs of glycine. alcohols and isocyanides. ORGANIC & L. M. Grubbs. “Prediction of Toxicity, E. Scriba, A. Fahr and X. Lui. Linear free Odor detection by humans of lineal M. H. Abraham, L. M. Grubbs and W.E.Acree, J Phys Chem A , 115 (44) 12201 - 12211. BIOMOLECULAR CHEMISTRY, 10 (1) Sensory Responses and Biological energy analysis of retention factors in aliphatic aldehydes and helional as Jr. Correlation of enthalpies of solvation 10.1021/jp207592u. 162 - 170. 10.1039/c1ob06534c. Responses with the Abraham Model” cerasome electrokinetic chromatography gauged by dose-response functions, of organic vapors and gases in ionic in Toxicity and Drug Testing (W. E. Acree, intended for predicting skin permeation, J. Chem. Senses, 35 (2010) 289-299. liquid solvents using a group contribution Almora-Barrios, N and De Leeuw, NH Banks, ST and Bramwell, ST (2012) Editor), INTECH Publishers, Chapter 12, Pharm. Sci., 100 (2011) 3105-3113. version of the Abraham solvation (2012) Molecular Dynamics Simulation Magnetic frustration in the context of 261-296 (2012). M. H. Abraham, J. E. Cometto-Muñiz, parameter model, Thermochim. Acta, 511 of the Early Stages of Nucleation of pseudo-dipolar ionic disorder. EPL, 97 M. H. Abraham, T. W. Stephens, N. E. De William S. Cain, R. Sánchez-Moreno (2010) 96-101. Hydroxyapatite at a Collagen Template. (2), Article ARTN 27005. 10.1209/0295- M. H. Abraham, T. W. Stephens, M. Loera, La Rosa, M. Saifullah, S.Ye, V. Chou, A. and J. Gil-Lostes, Nasal Chemosensory CRYSTAL GROWTH & DESIGN, 12 (2) 756 5075/97/27005. M. Calderas, R. Diaz, N. Montney and N. Quay, and W.E.Acree, Jr. Abraham Irritation in Humans, Chapter 12, pp M.H.Abraham, J. M. R. Gola, J. E. Cometto- - 763. 10.1021/cg201092s1. W.E.Acree, Jr. Determination of Abraham model correlations for transfer of neutral 187-202, in ‘Toxicology of the Nose and Muñiz and W.E.Acree, Jr., Hydrogen Banks, ST and Bramwell, ST (2011) model solute descriptors for benzoin molecules and ions to sulfolane, Fluid Upper Airways, Ed. J. B. Morris and D. J. bonding between solutes in solvents Anderson, JC and Blake, AJ and Koovits, PJ Magnetic frustration in the context of based on measured solubility ratios, Phys. Phase Equilib., 309 (2011) 30-35. Shusterman, Informa Healthcare USA, New octan-1-ol and water, J. Org. Chem., 75 and Stepney, GJ (2012) Diastereoselective pseudo-dipolar ionic disorder. Chem. Liquids, 2012, 50, 254-265. York, 2010. (2010) 7651-7658. reductive nitro-mannich reactions. J M. H. Abraham, T. W. Stephens, N. E. De Org Chem, 77 (10) 4711 - 4724. 10.1021/ Bardwell, DA and Adjiman, CS and K. Zhang, M. Chen, G. K. E. Scriba, A. Fahr La Rosa, M. Saifullah, S. Ye, V. Chou, A. N. M. H. Abraham, R. Sánchez-Moreno, J. Gil- M. H. Abraham, X. J. Zhang, H. W. Qin, L. jo300535h. Arnautova, YA and Bartashevich, E and and X. Lui. Quay, W.E.Acree, Jr. Enthalpy of solvation Lostes, J. E. Cometto-Muñiz and W. S. Cain, M. Su, W. C. Qin, M. Y. Zou, L. X. Sheng Boerrigter, SXM and Braun, DE and Cruz- Human skin permeation of neutral species correlations for organic solutes and Physicochemical Modeling of Sensory and Y. H. Zhao Interspecies correlations Anderson, JC and Moreno, RB (2012) Cabeza, AJ and Day, GM and Della Valle, and ionic species: extended linear free- gases dissolved in 2-propanol, 2-butanol, Irritation in Humans and Experimental of toxicity to eight aquatic organisms: Synthesis of ureas from titanium imido RG and Desiraju, GR and van Eijck, BP energy relationship analysis, J. Pharm. Sci., 2-methyl-1-propanol and ethanol, Animals, Chapter 25, pp 376-389, in theoretical considerations, Science Total complexes using CO2 as a C-1 reagent at and Facelli, JC and Ferraro, MB and 101 (2012) 2034 -2044. Thermochim. Acta, 523 (2011) 214-220. ‘Toxicology of the Nose and Upper Airways, Environ., 408 (2010) 4549-4555. ambient temperature and pressure. Org Grillo, D and Habgood, M and Hofmann, Ed. J. B. Morris and D. J. Shusterman, Biomol Chem, 10 (7) 1334 - 1338. 10.1039/ DWM and Hofmann, F and Jose, KVJ and M. H. Abraham and W. E. Acree, Jr. M. H. Abraham, S. Ye, M. Saifullah, L. Informa Healthcare USA, New York, 2010. M. H. Abraham, W. C. Qin, L. M. Su., X. c1ob06576a. Karamertzanis, PG and Kazantsev, AV The hydrogen bond properties of water M. Grubbs, M. C. McMillan-Wiggins, P. J. Zhang, H. W. Qin, Y. Wen, Z. Guo, F. T. and Kendrick, J and Kuleshova, LN and from 273K to 573K; equations for the Acosta, D. Mejorado, I. Flores and W. E. M.H.Abraham and W.E.Acree, Jr., Solute Sun, L. X. Sheng and Y. H. Zhao Toxicity Anderson, JC and McCarthy, RA and Leusen, FJJ and Maleev, AV and Misquitta, prediction of gas-water partition coefficients, Acree, Jr. Determination of the Abraham descriptors for phenoxide anions and of organic pollutants to seven aquatic Paulin, S and Taylor, PW (2011) Anti- AJ and Mohamed, S and Needs, RJ and Phys. Chem. Chem. Phys., 14 (2012) 7433- model solute descriptors for 3,5-dinitro- their use to establish correlations of rates organisms: effect of polarity and staphylococcal activity and beta-lactam Neumann, MA and Nikylov, D and Orendt, 7440. 2-methylbenzoic acid from measured of reaction of anions with iodomethane, J. ionization, SAR and QSAR in Environ. resistance attenuating capacity of AM and Pal, R and Pantelides, CC and solubility data in organic solvents, Phys. Org. Chem., 75 (2010) 3021-3026. Research, 21 (2010) 389-401. structural analogues of (-)-epicatechin Pickard, CJ and Price, LS and Price, SL M. H. Abraham, The permeation of neutral Chem. Liquids, 2011, 49 (6), 821-829. gallate. BIOORG MED CHEM LETT, 21 (23) and Scheraga, HA and van de Streek, J molecules, ions and ionic species through M. H. Abraham, L. M. Grubbs, S. S. Achi M. H. Abraham, Y. H. Zhao, X. J. Zhang, Y. 6996 - 7000. 10.1016/j.bmcl.2011.09.116. and Thakur, TS and Tiwari, S and Venuti, membranes: brain permeation as an example, M.H.Abraham and W.E.Acree, Jr. and W.E.Acree, Jr. Reply to comments of Wen, F. T. Sun, Z. Guo, W. C. Qin, H. W.Qin, E and Zhitkov, IK (2011) Towards crystal J. Pharm. Sci., 100 (2011), 1690-1701. The transfer of neutral molecules, ions Endo and Gross concerning ‘development J. L. Xu and L. X. Sheng Toxicity of organic Andrey V. Protchenko, Krishna Hassomal structure prediction of complex organic and ionic species from water to benzonitrile; of correlations for describing solute chemicals to Tetrahymena pyriformis: Birjkumar, Deepak Dange, Andrew D. compounds - a report on the fifth blind test. M. H. Abraham, E. E. Hills, A. Hersey and comparison with nitrobenzene. transfer into acyclic alcohols based on effect of polarity and ionization on toxicity, Schwarz, Dragoslav Vidovic, Cameron ACTA CRYSTALLOGRAPHICA SECTION C.D. Bevan, Diffusion coefficients in Thermochimica Acta, 2011, 526, 22-28. the Abraham model and fragment-specific Chemosphere, 79 (2010) 72-77. Jones, Nikolas Kaltsoyannis, Philip B-STRUCTURAL SCIENCE, 67 535 - 551. ethanol and in water at 298K: Linear free equation coefficients’, Fluid Phase Equilibr., Mountford and Simon Aldridge, A stable two- 10.1107/S0108768111042868. energy relationships, Fluid Phase, Equilib., M. H. Abraham, M. Saifullah, S. Ye, L. 2010, 295, 148-150. M. H. Abraham, T. W. Stephens, M. Loera, coordinate acyclic silylene, J. Am. Chem. 303 (2011) 45-55. M. Grubbs, N. E. De La Rosa and W. E. A. N. Quay, V. Chou, C. Shen, A. Wilson Soc., 134, 6500–6503 (2012) DOI: 10.1021/ Berna, AZ and Vergara, A and Trincavelli, Acree, Jr. Abraham model correlations M. H. Abraham, L. M. Grubbs and and W.E.Acree, Jr. Correlation of solute ja301042u M and Huerta, R and Afonja, A and Parkin, M. H. Abraham, L. M. Grubbs, S. Ye, M. for the transfer of neutral molecules to W.E.Acree, Jr. Mathematical correlations transfer into toluene and ethylbenzene IP and Binions, R and Trowell, S (2011) Saifullah, M. C. McMillan-Wiggins, W. E. tetrahydrofuran and to 1,4-dioxane and for for describing enthalpies of solvation of from water and from the gas phase based Arlin, JB and Price, LS and Price, SL Evaluating Zeolite-Modified Sensors: Acree, Jr. P. Twu and J. L. Anderson, transfer of ions to tetrahydrofuran, J. Soln. organic vapors and gaseous solutes into on the Abraham model, Open Thermodyn. and Florence, AJ (2011) A strategy for towards a faster set of chemical sensors. Correlations describing gas-to-ionic Chem., 2011, 40, 2082-2094. ionic liquid solvents, Thermochim. Acta, J., 2011, 5, 104-121. producing predicted polymorphs: In: Gouma, P, (ed.) OLFACTION AND liquid partitioning at 323 K based on ion- 509 (2010) 87-92. catemeric carbamazepine form V. CHEM ELECTRONIC NOSE: PROCEEDINGS OF specific equation coefficients and group M. H. Abraham, L. M. Grubbs, S. Ye, M. Ainsworth, RI and Di Tommaso, D and de COMMUN, 47 (25) 7074 - 7076. 10.1039/ THE 14TH INTERNATIONAL SYMPOSIUM ON OLFACTION AND ELECTRONIC NOSE. contribution versions of the Abraham model, Saifullah, W. E. Acree, Jr., P. Twu, J. L. M. H. Abraham, L. M. Grubbs, M. Saifullah, Leeuw, NH (2011) A density functional c1cc11634g. (pp. 50 - 52). AMER INST PHYSICS Fluid Phase Equilib., 301 (2011) 257-266. Anderson and G. A. Baker Correlation of N. E. De La Rosa, W.E.Acree, Jr. Q. Xhao theory study of structural, mechanical the solubilizing abilities of hexyl and J. L. Anderson, Cation-specific and electronic properties of crystalline (trimethylammonium) bis((trifluoromethyl) and anion-specific Abraham model

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Silbert, G and Ben-Yaakov, D and Dror, Y Thomas, T and Blackman, CS and Parkin, U Watkins, M and Pan, D and Wang, EG and X and Perkin, S and Kampf, N and Klein, J IP and Carmalt, CJ (2011) Titanium Uppal, MA and Ewing, MB and Parkin, IP Michaelides, A and VandeVondele, J and Xu, B and Dong, J and McMillan, PF and (2011) Long-ranged attraction between arsenide films from the atmospheric (2011) One-Pot Synthesis of Core-Shell Slater, B (2011) Large variation of vacancy Shebanova, O and Salamat, A (2011) disordered heterogeneous surfaces. pressure chemical vapour deposition of Silver-Gold Nanoparticle Solutions and formation energies in the surface of Equilibrium and metastable phase tetrakisdimethylamidotitanium and tert- Their Interaction with Methylene Blue Dye. crystalline ice. NAT MATER, 10 (10) 794 - transitions in silicon nitride at high Silverstein, HJ and Cruz-Kan, K and Hallas, butylarsine. 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