UCL DEPARTMENT OF CHEMISTRY

UCL Chemistry NEWSLETTER

Contents Introduction by Head of Department 1. Introduction As I sit here writing this welcome the UK basks in temperatures over 25 degrees, the government has published its long awaited Brexit White paper and Donald Trump is visiting 2. Staff Highlights and News the UK! Fortunately we keep our minds busy in the chemistry department with lots of exciting science and activities, which you can read about in this newsletter. 3. Student Highlights and News 4. Alumni Matters We have had a number of retirements this summer – Mr Jim Stevenson, Mr Phil Hayes and Professor Derek Tocher all of whom have been at UCL over 30 years (53 years for 5. Research Highlights Phil!). We are grateful to Jim and Phil who both contributed greatly to the technical team in the department over the years in the workshop and teaching labs, respectively. Thanks 6. Grants and Awards also go to Professor Tocher who has taken on many key roles over the years including Pro- 7. Publications Provost for East and South-East Asia, Departmental Tutor, Admissions Tutor, Deputy Safety Officer, Affiliate Student Tutor and for the past 6 years Deputy Head of Department. We were 8. Staff delighted when Professor Tocher was awarded a special Lifetime Achievement Award, as part of the MAPS Faculty Education Awards. Indeed, chemistry did extremely well with awards going to Dr Katherine Holt (Teaching Staff category), Dr Anna Roffey and Dr Daren Caruana (Continuing Professional Development Category) and Emre Sener (Postgraduate Teaching Assistant Category).

This year Dr Hugo Bronstein moved to the University of Cambridge after 4 years here at UCL. We welcomed Dr Bob Schroeder from the University of Queen Mary as a Lecturer in Organic Chemistry and Dr Kerstin Sander as a Lecturer in Radiochemistry and PET Pharmacology (joint appointment with medicine). Dr Clare Blakewell and Dr Antoine Maruani will both start Ramsay Trust Fellowships in October 2018 and Dr Rachel Dickman has been awarded an Introduction EPSRC Doctoral Prize Fellowship. We also welcomed Louise McSeveny as acting EA and Dr Richard Fiztmaurice as acting Laboratory Manager for the organic section, while Nicola Phillips Many thanks go to Louise and Dr Helen Allan are on maternity leave. McSeveny, for organising this year’s newsletter and to Tracy There have been many new initiatives and grants awarded within the department. A few Hankey at UCL Digital Media highlights include Professor Giuseppe Battaglia who was awarded an ERC Consolidator Grant Services for her help. for €2m entitled CheSSTaG (Chemotactic Super-Selective Targeting of Gliomas) and Dr David Scanlon an ERC starting grant for €1.5m for a project called DISCOVER (Design of Mixed We hope this newsletter gives a Anion Inorganic Semiconductor for Energy Conversion). Professor Jawwad Darr is leading an flavour of the exciting chemistry EPSRC JUICED (Joint University-Industry consortium for energy materials and devices) Hub and family atmosphere grant for £1.8m (with Professor Ivan Parkin, Professor Furio Cora and Dr Rob Palgrave). Well achieved in the department. done also to Dr Rob Palgrave who co-led a bid between UCL and University of Cardiff for the It is not an exhaustive National XPS facility to be located at Harwell. UCL’s bid was worth £1.2m and UCL will own document but can provide a one instrument on completion. number of contact points to the wide variety of activity that Yet again the department had a record intake with over 100 students taking one year MSc occurs in the department. and MRes degrees in the department. Undergraduate and PhD admissions were also very strong which presented challenges with respect to space and research project allocations. However, we had two enjoyable away days this year – one for academic staff and one for Professional services/support staff from which many ideas have emerged. We are currently in the process of having new fumehoods fitted in the 3rd floor laboratories and apparently our toilets are going to be refurbished in the department!

I wish you all the best for the 2018-19 academic year.

Professor Claire Carmalt

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NEW APPOINTMENTS differential diagnosis, patient stratification or treatment conducted detailed NMR studies on nisin using NAMFIS Scott Woodley monitoring. This will accelerate clinical applications and analysis. In 2018 she was awarded an EPSRC doctoral Promoted to Professor of Academic Appointments translation of novel tracers into clinical studies. prize fellowship to work with Prof Stefan Howorka and Computational Chemistry and Dr Stephen Cochrane at Queen’s University Belfast, studying the structure of the nisin-lipid II pore complex Physics Bob C. Schroeder Research Fellows using biophysical experiments. When not at the lab, Lecturer in Organic Chemistry Rachael enjoys baking and watching live music. Before joining UCL in January 2017, Clare Bakewell Bob was an Academic Fellow at Queen Ramsay Fellow Stephen Potts Mary University of London (2014-2017) Clare conducted her PhD in the field Promoted to Senior Teaching and a Postdoctoral Research Associate of polymerisation catalysis at Imperial at Stanford University (2014-2016) and Promotions Fellow College, under the supervision of We are very proud to announce the following senior Imperial College London (2013-2014). He received his Professor Charlotte Williams and promotions of the department, effective from 1st October: PhD in Chemistry in 2013 from Imperial College London, Professor Nick Long. She was under the supervision of Professor Iain McCulloch. awarded an EPSRC Doctoral Prize Fellowship for her research, after which she went on to Bob’s research interests focus on the design and spend a year working for the polymer start-up Econic Christopher Blackman synthesis of new functional materials based on organic Technologies. She then returned to Imperial to work as a semiconductors for both energy and healthcare Promoted to Professor of postdoctoral research associate in the group of Dr Mark applications. His interdisciplinary research group currently Inorganic Chemistry Crimmin. Here her research focused on the activation consists of 2 postdocs and 3 PhD students. Current of strong chemical bonds using highly reactive metal research within the group focusses on the synthesis of complexes. As a Ramsay Fellow she will be developing MAPS Faculty Education new conjugated polymers for wearable thermoelectric new methodologies for polymer formation, using highly generators and flexible solar cells. Furthermore, the active organometallic catalysts. Awards 2018 group has an increasing interest in exploiting the unique Katherine Holt properties of organic semiconductors for biomedical Promoted to Professor of Each year the Faculty of Mathematical & Physical applications, such as in-vivo imaging and targeted drug Sciences recognises excellence in teaching from staff delivery. Antoine Maruani Physical Chemistry Ramsay Fellow through the Faculty Education Awards. Bob’s research group takes an interest not only in Antoine Maruani obtained his Master’s We are delighted to announce the following winners developing new functional materials for organic electronic degree in Chemistry from École of the 2018 MAPS Faculty Education Awards from the applications but also in gaining a deeper understanding Normale Supérieure of Lyon (France). Chemistry Department: of the underlying structure-property relationships. By After working with Professors Vogel doing so, they can control the solid-state morphology, and Gerber at EPFL (Switzerland), Christoph Salzmann Professor Derek Tocher modulate the optoelectronic properties (such as light Professor Davies at Oxford University Promoted to Professor of (Winner of Lifetime and at Merck KGaA (Germany), he then joined Professor absorption/emission) and the mechanical behaviour of Physical and Materials Achievement Award): the organic semiconductors. Stephen Caddick’s group at University College London Chemistry ”It is most heartening to have the where he obtained his PhD in 2015 with his thesis focusing work I have done at UCL over the on the site-selective dual modification of proteins. He Kerstin Sander last 34 years recognised by the is currently working as a postdoctoral fellow under the Lecturer in Radiochemistry Faculty. The most enjoyable aspect supervision of Dr Vijay Chudasama on the development of my long career has undoubtedly and PET Pharmacology of novel methodologies for bioconjugation. In April 2018, David Scanlon been the fact that I have been able to combine my Kerstin was appointed Lecturer Radio- Antoine obtained a Ramsay Memorial Fellowship which Promoted to Professor of research interests in crystallography with a love of chemistry and PET Pharmacology in he will start at UCL in September 2018. September 2017. Kerstin joined the Computational Materials teaching our undergraduates and it was my privilege as UCL Radiochemistry group in 2010 Design Departmental Tutor for ten years to guide and support to work as a post-doctoral research associate with Rachael Dickman undergraduate students through to the completion of Professor Erik Årstad (until 2017). Before this, she was their degrees and take the first steps in their subsequent a research associate in the group of Professor Holger EPSRC Doctoral Prize Fellow careers. In my time here I have worked closely with too Rachael obtained her MChem degree Stark at Goethe University Frankfurt/Main (Germany), many excellent colleagues to name but special mention in Medicinal Chemistry from the where she was awarded a PhD in Pharmaceutical/ Thomas Sheppard needs to be made of Professor Sally Price who I have University of Manchester in 2013. Medicinal Chemistry. Promoted to Professor of collaborated with for the last 20 years on a project trying She then moved to London for her Organic Chemistry to understand the organic solid state.” Kerstin’s research focuses on the development and PhD studies, supervised by Professor characterisation of radiotracers, in particular for imaging Alethea Tabor at UCL, working on the of brain diseases. The aim is to establish a platform synthesis and structural analysis of the lipid II binding for the development and non-clinical evaluation of region of nisin, a potent antimicrobial peptide. Following imaging agents that will facilitate to assess the suitability her PhD, she moved to Sweden for a postdoctoral project of a tracer for a given purpose, e.g. early diagnosis, with Dr Máté Erdélyi at Uppsala University, where she

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Dr Katherine Holt Emre Sener Kathleen Lonsdale Building Re-opened (Winner of Teaching Staff (Joint Winner of PGTA Category): Category): by Sir David Attenborough Katherine Holt is Reader in Physical “I tried to provide a supportive safety Chemistry in the Chemistry Department net for students so that they could UCL’s Kathleen Lonsdale Building (KLB), home to UCL Earth Sciences at UCL and for the past 3 years has freely experiment without fear of and groups from Chemistry, Astrophysics, and Mathematics, was re- been Chair of the Departmental failure. At the end, it was incredibly opened by Sir David Attenborough on Tuesday 17 April 2018 following a Teaching Committee. During that time rewarding to see them take complete ownership of their £27.5 million refurbishment. As part of the celebrations, scientists Professor she has overseen a complete redesign of the Year 3 labs, projects.” Paul Bown and Dr Jeremy Young (Department of Earth Sciences) named the recruitment of three Teaching Fellows, a stronger a newly discovered ocean plankton species in honour of the BBC’s Blue integration of a Careers Programme into the department Other winners included: Planet series production team. The KLB was constructed in 1915 as the and the introduction of free access to core e-textbooks first purpose-built Chemistry building for UCL. Over the years, it has been to students. “I’m really grateful for the nomination from Postgraduate Teaching Assistant Category: adapted to suit different UCL departments, predominantly Earth Sciences, my department and really delighted to have won this Pavlos Apostolidis (Physics and Astronomy) but has also housed groups from across UCL Mathematical & Physical award. It’s a pleasure working with many enthusiastic Sciences. and committed colleagues to improve the student Kathleen Lonsdale was a scientist, Quaker and pacifist, whose ground breaking experience in the Chemistry Department and I hope we research in crystallography was conducted at UCL under the shadow of World continue to be successful in doing that.” War II. She was the first woman to be elected a Fellow of the Royal Society when, in 1945, it was decided that the term ‘Fellow’ could encompass women. Dr Anna Roffey Furthermore, she was the first female President of the British Association. Sir David and Professor Claire Carmalt (Joint Winner of CPD Student Choice Teaching Category): “I am very interested in the post Awards 2018 graduate student experience and it has been such a pleasure helping to The Student Choice Teaching awards (SCTAs) have design and execute the new postgrad been entirely developed by students – they developed taught Master’s in Applied Analytical the criteria, created the name and make up the entirety Chemistry this year. We have a wonderful bunch of PGT of the judging panel. They have been developed in students from a diverse range of backgrounds, and I have partnership with UCL and are awarded with the provost had the opportunity to learn what needs these students teaching Awards. have, and how we can best meet these at UCL. This has involved being flexible, while still maintaining our academic standards, with the aim of imbuing our students with the We are thrilled that Dr David Scanlon is this year’s professional skills they need to excel in the future.” winner for Outstanding Research Supervision. Dr David Scanlon is a Reader in Computational, Inorganic and Materials Chemistry. He was appointed to a Dr Daren Caruana Lectureship in 2013, Reader in 2016 and Professor in (Joint Winner of CPD 2018. He leads the Materials Theory Group, which is Category): focused on computationally driven materials design at “To create a learning environment that UCL, especially within the remit of solid state materials Sir David and Professor Lars Stixrude and Professor Ivan Parkin Sir David Attenborough is both challenging and able to connect for renewable energy applications. David’s research with students requires us to ditch many is sponsored by the EPSRC, the ERC, the Faraday Hosted by Professor Lars Stixrude (Head of UCL Earth Sciences) and Professor Ivan Parkin (Dean of UCL Mathematical of our traditions and assumptions on Institution and Industry. & Physical Sciences), the re-opening ceremony: ‘An audience with Sir David Attenborough’ celebrated the outstanding student capability. If students from completion of the renovation of the KLB by UCL Estates as part of Transforming UCL. 1978 were transported to the present day, they will David is extremely popular in his (and other) research probably be baffled by Portico, but probably have little groups, and has been exceptional in establishing The day began with a morning reception in the Rock Room, followed by an arm-chair style discussion with Sir David problems engaging with the learning environment, as in collaborative partnerships with his students and building Attenborough facilitated by Professor Lucie Green from UCL Space & Climate Physics. many respects it remains unchanged. We need to move their careers. He has been commended for the detailed The audience was extremely engaged with what Sir David had to say and asked thought provoking-questions on a range with the times and deliver a more contemporary learning personal attention he pays to each individual student, of topics from the sustainability of the meat industry, to the most fun moment of his illustrious documentary career. During experience. We should be more creative and take more his enthusiasm in encouraging his groups to work with the talk, Sir David was presented with a ceramic sculpture of the newly discovered species of ocean plankton named risks with a firm aim of pushing students in directions cutting-edge technologies, and his dedication to helping Syracosphaera azureaplaneta in honour of the BBC’s Blue Planet series. that will stretch their abilities; rather than hold their his students find and make the most of academic hands. Given the chance to start a new MSc with a new opportunities. In the afternoon, Sir David met with the staff and students working in the different departments of the KLB. They showcased learning approach has been very rewarding, this award activities, discoveries, and research in their newly renovated surroundings. The day ended with the unveiling of a new highlights the enormously capable colleagues I have plaque by Sir David, followed by refreshments with staff, alumni, and students. had the pleasure of working with and the supportive environment of the Chemistry Department, for which I am grateful.”

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New Master’s in Applied Analytical Chemistry - RETIREMENTS Professor Derek Tocher Professor Derek Tocher retired on Arduinos and Awards Mr Phil Hayes 31st July 2018 after 34 years at UCL Chemistry. Derek joined the Congratulations to Phil In September 2017 we department in 1984 as a lecturer and Hayes, who retired in June welcomed our very first cohort was promoted to Reader in 1993 and 2018 after 53 years at of MSc students on the new PGT Professor in 2006. Throughout his 34 UCL! Phil worked at UCL Master’s in Applied Analytical years at UCL Derek has been a hugely Chemistry as the classroom Chemistry. 14 bright students active member of the department manager, overseeing the took on this new and innovative and UCL in general. Derek took on running of the Turner programme, led by Programme photo courtesy of many key roles throughout his time at Laboratory undergraduate Martin Vickers Director Dr Daren Caruana, with UCL including Pro-Provost for East teaching lab. Phil grew up a team including Dr Anna Roffey, and South-East Asia, Departmental and went to school locally, Dr Vicky Hilborne, Professor Tutor, Admissions Tutor, Deputy Safety Officer, Affiliate and joined UCL as a trainee Andrea Sella, Emre Sener, Dr Student Tutor and Deputy Head of Department. Derek when he was 16, doing part Mike Parkes, Dr Kersti Karu, has provided excellent support as Deputy Head of time training, and studying Martyn Towner, Professor Tim photo courtesy of Department and was a truly dedicated Departmental Luke Thomas his A-levels on day release McHugh, Dr Emma Richardson Tutor for 10 years taking an extremely pro-active role one day a week, eventually and Dr Vicki Barwick (LGC). with the undergraduates to ensure that they obtained the following with a chemistry degree. maximum benefit from their time at UCL. As UCL Pro- Daren developed the UCL has been an important part of Phil’s life outside of Provost for East and South-East Asia (2008-2011) he teaching and learning ethos work and study as well, he met his wife here, when she worked tirelessly to develop relations with government and philosophy behind the was also working in the Chemistry department, and two agencies and leading research institutions. As programme – immersion of his four children also studied at UCL, one in Chemistry Admissions Tutor (2001-2003) he devised a strategy to learning with peer-to-peer and one in Earth Sciences. As classroom manager Phil improve the quality of the undergraduates accepted onto learning and assessment; managed the UCL Turner Laboratory teaching lab, which the department’s programmes and over five years the free from traditional lecture- is about the size of a football pitch, and in term time is average A-level grades of first year students improved by laboratory-examination. Daren MSc Students in Applied Analytical Chemistry used by about 100 students a day. “53 years, it’s a bit almost four points. Despite such a huge contribution to is joined by Anna Roffey, a scary really, when I tell people they often don’t believe enabling roles, Derek achieved an excellent publication Teaching Fellow specifically it, but the reason why is that I’ve loved to do Chemistry, record with >300 research papers and an h-index of working on curriculum design and delivery of content, assessment and feedback, as well as playing a key mentoring and I’ve always been happy in a lab environment. One of 43. His research has focused on problems related to and pastoral role on the programme. the main things about studying here is it shows you how structure determination of small (<200 atom) molecules. important education is, my wife was a science teacher, His collaborations covered inorganic, coordination, Other important members of the team include Vicky Hilborne, also a Teaching Fellow, with a strong background in so for our family it’s been an important part of our life” organometallic, organic chemistry and pharmaceuticals. analytical chemistry in academia and industry. Vicky developed and delivered the key theory module on the course, said Phil, on his time at UCL. We wish him all the best He uses single crystal X-ray diffraction to solve problems alongside Vicki Barwick from LGC, one of our industry partners. Emre Sener, a PhD student in Daren’s group was in his retirement and look forward to hearing about his in these areas and in particular has collaborated with also instrumental in delivering a module in analytical strategies, alongside Dr Mike Parkes – teaching and guiding the skiing, boating and dancing! Professor Sally Price in the area of crystal structure students in designing and building their own sensing devices using Arduinos. We also had several external speakers prediction for nearly 20 years. Derek has been a key from other UCL departments (Tim McHugh, Clinical Microbiology; Emma Richardson, Art History) and outside UCL member of the department; he always put aside the (Hilary Hamnett, Imperial). time to help colleagues and set a great example of the highest academic standards. We wish him all the best in The team worked hard to ensure the course offered a unique learning experience which led to the development of Mr Jim Stevenson his retirement and look forward to hearing about his long confidence in students’ own abilities. The emphasis was on developing students’ knowledge of analytical methodology Congratulations also to Jim Stevenson bike ride across Spain! approach and design. After extensive market research and discussion with key industry employers of postgraduate who retired in May 2018. Jim worked level training in analytical chemistry, it was clear that this course should not focus on techniques or instrumentation but in the Chemistry department as a rather analytical approach (i.e. ‘How to be an Analytical Chemist’). The rationale behind many of the teaching methods Workshop Technician and he has is to place the students outside their comfort zone, to encourage them to work together as a cohort to find innovative been working at UCL for 30 years! He solutions and become self-reliant. did retire back in 2012 but fortunately returned to work again so that the After nearly a year of hard work, the students are now close to completion, and the efforts of the team have been department could benefit from his expert skills in the rewarded with Faculty Education Awards: Anna Roffey and Daren Caruana (Continuing Professional Development), and workshop. He assures us that this time he really has Emre Sener (Post-Graduate Teaching Assistant). We are all extremely pleased with the progress the team has made, retired! Jim was very popular with research students and and exited to develop and grow the course further in the coming years. staff who relied on his expert guidance and ideas, when looking to get pieces of kit built or developed. We wish him all the best in his retirement.

Derek & Claire

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SCIENCE AS A GLOBAL ENDEAVOUR CHEMISTRY BIRTHS Laure Benhamou Laure is a Research Associate in Richard Catlow Liam McCafferty chemistry working with Prof. Helen Hailes That science is inherently international is an obvious truism; but I have become vividly aware Liam has worked in Jawwad Darr’s group and Prof. John Ward. of the global nature of science and of the extent to which UK science is deeply embedded in for four years, initially as a post doc and Laure and her partner Ghyslain are the international community since taking up the role of Foreign Secretary of the Royal Society more recently as a project coordinator delighted by the arrival of their little in 2016. I followed a distinguished predecessor, Sir Martyn Poliakoff (also a chemist) in a role and technology transfer manager. His daughter Chloé born on January 5th which was established in 1720 – 60 years before the equivalent office was created by the British wife Jennifer gave birth to a 9lb 1oz baby 2018. “She is growing really well and is a government –an indication that the Society early in its history appreciated the crucial role of boy on 30th January 2018, Jennifer and very smiley and lively little girl”. They are international collaboration in science. The role of the Foreign Secretary is to lead on the wide Liam named their son Owen William. both very thankful to their friends and colleagues from UCL for ranging and growing international programmes of the Society. They are both extremely happy to have their support during Laure’s pregnancy and after Chloé’s birth. welcomed their first baby to the world and love watching Owen One of my first duties early in 2017 was to co-chair a meeting in Berlin between the Royal Society and two of the grow and develop every day. German academies to discuss the future of UK-German science collaboration. The preparation for this meeting by the Royal Society staff clearly revealed the depth of scientific partnership between our two countries – in terms of joint projects, publications and interchange of researchers. I was also heartened and encouraged by the clear and unambiguous support from our German colleagues for the continuation of such collaborations – a response I have received in subsequent visits, all over the continent, to academies, research institutes and funding agencies. UK science is respected throughout Europe and worldwide; and as I argued in a recent editorial in Chemistry World, we must remain partners in future European science programmes and equally (if not more) important we must ensure mobility for researchers. Chemistry EDI (Equality, Diversity and Inclusion) Team

The Royal Society interacts with Academies and scientists around the world and it has been both exciting and stimulating The success of our Department relies not only on the excellence of individual undergraduates, to meet and work with colleagues from Korea, Japan, China, the US, Australia, Taiwan, Argentina amongst others. One postgraduates, researchers, academics and professional services staff, but on how well of the most effective components of the Society’s programme are the bilateral meetings which we organise, usually everyone in the department works together. The challenge for the EDI team during the last involving two or three symposia. Last November we held a particularly good meeting in Seoul with the Institute for Basic few years has been to create a culture that encourages mutual support on a day-to-day Sciences (IBS) and with two symposia – one on Advanced Materials, which I co-chaired and to which Gemma Davies basis. Such an approach benefits everyone, but it has been shown that it is of particular made an excellent contribution and one on Neuroscience co-chaired by John Wood (also from UCL). The sheer quality benefit to women and other under-represented groups. of the science of our Korean colleagues was hugely impressive as were the opportunities for collaboration. There is evidence from the staff survey that we have been making good progress in our ambitions to make UCL Chemistry One of the high priorities for the Royal Society’s international programme is the strengthening of science in the a better place to work. For example, in 2017, 81% of Chemistry staff said they were aware of UCL’s range of benefits (up developing world, especially Africa. Many African nations are experiencing strong economic expansion coupled with by 28% from 2015) and 68% of academic staff said the promotions criteria were clear (up by 20% from 2015). very rapid population growth. If the continent is to achieve sustainable development (in particular the targets of the UN SDGs) it must develop a strong science and technology base and not just in the usual suspects of health and It was pleasing to see that the workload document we developed for academic staff and teaching fellows, and has become agriculture (although these remain of key importance) but in physical sciences and engineering. The Society was a part of our culture, matches very well with the ‘best practice in the development and use of Work Allocation Models’ published pioneer in the field of “capacity strengthening” and now runs a range of effective programmes ;and indeed both Rob by the Royal Society earlier this year (https://athenaforum.org.uk/media/1144/athena-forum-wam-reportjanuary2018.pdf). Bell and I participated in an excellent meeting in Kumasi (Ghana) of a consortium funded by a Royal Society – DfID initiative and focussing on PhD student training with staff and students from Ghana , Namibia, Botswana and the UK. Dr Tracey Clarke and the EDI team’s PDRAs (Dr Lorena Ruiz-Perez and Dr Loris Rizzello) have worked hard to establish an The Society now runs several programmes funded by the UK Global Challenges Research Fund (GCRF) including a active PDRA network and have run highly successful workshops on topics ranging from developing an effective LinkedIn new African Fellowship programme (FLAIR) modelled on our URF scheme. There are also several other programmes profile to writing a fellowship proposal. Our dynamic group of PhD students (Senio Campos de Souza, Eva Liatsi-Douvitsa, and I recommend members of the department who are interested in working with the developing world to consider Carlos Noble Jesus, Naomi Omori, Maud Einhorn, Oscar Williams) have run their second successful Research Open Day, applying. developed and run a new Chemistry PhD Student Survey and identified some very interesting ideas about how we can improve the PhD experience in the Department, from recruitment to networking and support. As one of the five officers of the Society, I get an overview of its very extensive work in policy, grants, publications, education outreach, industry and of course international. I believe that the Society has a crucial role to play in maintain We still have a lot of work to do but we hope that our efforts will be recognised by the award of an Athena SWAN Silver the strength, integrity and culture of science in the UK and the Commonwealth and I hope that its international Award. We will then begin to work towards Gold! programmes will ensure that the UK and Commonwealth countries remain key players in the global scientific endeavour. I would like to thank the whole EDI Team for their huge efforts during the last year in collecting and presenting data (Dr Jadranka Butorac, Mike Kelly, Liz Read) and developing a challenging action plan for the Department and wish Dr Vijay Chudasama good luck as he takes over the role as Chair of the EDI Committee from October 2018!

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2017 – 2018 PRIZE WINNERS Chemistry Prizes Second Year PhD Poster prizes

We would like to congratulate the following prize winners: On 27th June 2018, Professor Claire Carmalt We are pleased prizes were awarded for the best (Head of Department) congratulated the 2nd Year PhD poster to the following students: following final year PhD students who were awarded prizes for the best presentation Physical Chemistry: Mr Anand Patel JOE MCLOUGHLIN in each of the major research areas of Undergraduate Prize Winners Charles Vernon Prize Organic Chemistry: Mr Andre Shamsabadi - For Excellence in Biological Chemistry Organic/Medicinal, Inorganic/Materials, Computational and Physical Chemistry, as Inorganic Chemistry: Ms Emma Campbell YASSIN HJIEJ ANDALOUSSI JOE HIGHAM assessed by a committee. Computational Chemistry: Ms Ceridwen Ash CK Ingold Prize Franz Sondheimer Prize Rothwell Prize for best poster in synthetic - For Excellence in Undergraduate Performance - For Excellence in Organic Chemistry ALEX GANOSE inorganic chemistry: Mr Juhun Shin NEHAAL AHMED Supervisor: David Scanlon CK Ingold Prize Catlow Prize - For Excellence in Undergraduate Performance Best PhD presentation in Computational Chemistry for TERESA INSINNA his presentation entitled Beyond CH NH PbI : Prospects for Graduating Students CK Ingold Prize 3 3 3 Emergent Solar Absorbers - For Excellence in Undergraduate Performance PhD Prize Winners ZARRIN ANSARI Alex Ganose receives his Catlow PhD Chemistry ANDREA POUPARD SAMUEL P DOUGLAS Prize from Prof. Claire Carmalt Supervisor: Gopinathan Sankar CK Ingold Prize Supervisor: Caroline Knapp - For Excellence in Undergraduate Performance 2017 Tuffnell Prize (year 1) - For the best student commencing a PhD in the ELLIE DANN REECE BEEKMEYER Department of Chemistry, UCL Supervisor: Richard Catlow PhD Chemistry YUNHAO (CONNIE) YANG 2017 Ronald Gillespie Prize Supervisor: Helen Fielding CK Ingold Prize - For the best student in Inorganic/Materials Chemistry Clark Prize - For Excellence in Undergraduate Performance proceeding to a PhD at UCL Best PhD presentation in inorganic chemistry for her presentation entitled: Developing Synchrotron Methods for SULTAN BEN JABER SADIA BEGUM ANDRE SHAMSABADI Advanced Characterisation of Heterogeneous Catalysts PhD Chemistry CK Ingold Prize Supervisor: Vijay Chudasama Supervisor: Ivan Parkin - For Excellence in Undergraduate Performance 2017 Tuffnell Prize (year 2) - For the best student commencing a PhD in the XIANGYU ZHANG AGASTYA BHATI ELLA WAGLAND Department of Chemistry, UCL Supervisor: Jim Anderson PhD Chemistry Neil Sharp Prize Supervisor: Jamie Baker Davies Prize Supervisor: Peter Coveney - For Excellence in Theoretical (including Computational) 2017 Bader Prize Best PhD presentation in Organic Chemistry for his presentation entitled for his presentation entitled: Chemistry - For best student in Organic Chemistry proceeding ANDREW BREESON to a PhD at UCL Applying Nitro-Mannich Reaction:Towards The Total Synthesis of Schizozygine Type Alkaloids PhD Chemistry ANA-MIRUNA ANDRONICIUC Supervisor: Robert Palgrave Parke Davis Prize - For Excellence in Medicinal Chemistry ROBERT MALINOWSKI DOMINIC CHAOPRADITH Supervisor: Giorgio Volpe PhD Chemistry CARYS GREEN Ewing Prize Supervisor: Richard Catlow Harry Poole Prize Best PhD presentation in - For Excellence in Physical Chemistry Physical Chemistry for his DONG WOONG CHOI presentation entitled Dynamic PhD Chemistry MALAVIKA BHIDE Control of Evaporating Droplets Supervisor: Kwang Choy Ronald Nyholm Prize using a Local Vapour Source - For Excellence in Inorganic Chemistry Robert Malinowski receives his Ewing Prize from Prof. Claire Carmalt

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MOHIMA CHOWDHURY IAN GODFREY MECHTHILD LÜBKE MARTIN ROSILLO-LOPEZ PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Jon Wilden Supervisor: Gopinathan Sankar Supervisor: Jawwad Darr Supervisor: Christoph Salzmann

ADAM COGGINS KALYANI GUPTA ESZTER MAKKOS MARCO SABATINI PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Matt Powner Supervisor: Jawwad Darr Supervisor: Nikolas Kaltsoyannis Supervisor: Thomas Sheppard

KLAUDIA CYBULSKA GEORGE HARRISON GIULIA MANCARDI THEO SUTER PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Erik Arstad Supervisor: Geoff Thornton Supervisor: Richard Catlow Supervisor: Paul McMillan

RACHAEL DICKMAN LILIAN HAYES SERENA MITCHELL FEYZA TUNALI PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Alethea Tabor Supervisor: Claire Carmalt Supervisor: Alethea Tabor Supervisor: Ivan Parkin

OLIVER DICKS CARLOS HERNANDEZ TAMARGO ARIF NIKMAL ANTONIOS VAMVAKEROS PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Alexander Shluger Supervisor: Richard Catlow Supervisor: Mathew Powner Supervisor: Andrew Beale

ALICE DUNBABIN SALLY HIGSON EMILIA OLSSON BENJAMIN WILLIAMSON PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Helen Hailes Supervisor: Helen Hailes Supervisor: Nora De Leeuw Supervisor: David Scanlon

ANA ESTANDARTE DOUGAL HOWARD EKREM OZKAN RACHEL WILSON PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Keith Robinson Supervisor: Jawwad Darr Supervisor: Ivan Parkin Supervisor: Claire Carmalt

KEALAN FALLON GI-BYOUNG HWANG QAMREEN PARKER SITI ZAKARIA PhD Chemistry PhD Chemistry PhD Chemistry PhD Chemistry Supervisor: Hugo Bronstein Supervisor: Ivan Parkin Supervisor: Robert Bell Supervisor: Katherine Holt

WEI FANG REBECCA HYLTON ANNA PLOSZAJSKI PhD Chemistry PhD Chemistry PhD Chemistry Congratulations to Fazia Habib, a PhD student in Professor Claire Carmalt’s group, for receiving a fellowship Supervisor: Angelos Michaelides Supervisor: Sally Price Supervisor: Thomas Skipper for her PhD from the Schlumberger foundation in April 2018. The Schlumberger foundation offers Faculty for the DAVID FREEMAN IAN JOHNSON SAPNA PONJA Future fellowships for talented women from developing PhD Chemistry PhD Chemistry PhD Chemistry and emerging countries perusing advanced degrees Supervisor: Hugo Bronstein Supervisor: Jawwad Darr Supervisor:Claire Carmalt in science, technology, engineering and mathematics (STEM) at leading universities worldwide. SAMANTHA GIBSON HAZEL KITCHING DOMINIC POTTER PhD Chemistry PhD Chemistry PhD Chemistry Congratulations to Jamie Riley, a PhD student in Professor Helen Fielding’s group, who won 2nd prize at the Supervisor: Thomas Sheppard Supervisor: Tony Kenyon Supervisor: Claire Carmalt 2017 Southern Universities Spectroscopy and Dynamics Groups meeting held at Bristol for his talk, “Exploring EMILY GLOVER MAXIMILLIAN LEE BEN ROBINSON solvation effects on the electronic structure of phenol”. PhD Chemistry PhD Chemistry PhD Chemistry His talk described the first systematic UV photoelectron Supervisor: Robert Palgrave Supervisor: Steven Caddick Supervisor: Jawwad Darr spectroscopy study of phenol in aqueous solution and showed evidence for formation of solvated electrons following photoexcitation of this ubiquitous chromophore. This work was carried out using the UK’s first liquid jet photoelectron spectrometer, designed and built at UCL.

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Congratulations to Alex Ganose, a 3rd year EngD Awards final is extremely hard to get in, with the top 30 rather interesting attendees who definitely weren’t undergraduates). The first,

student from Dr David Scanlon’s group on the Molecular students from around the globe competing for either a Gold “Otherworlds: Psychedelics and Exceptional Experience” by Dr David Modelling and Materials Science (M3S) CDT whose or Silver Medal. Alex was one of only 2 UK students and Luke from the University of Grenwich, which was a look at the changing studentship is co-sponsored by Diamond Light Source 3 Europeans who reached the final. His presentation was attitudes to psychedelic drugs in recent years and some of the experiences Ltd, who has won a gold medal at the Graduate Student entitled “Beyond CH3NH3PbI3: Prospects for Emergent people have claimed to have had while taking these substances (some more Awards at the 2018 MRS Spring Meeting. The MRS Spring Solar Absorbers”. For his win, Alex received a certificate believable than others). The second talk was a detailed examination on the meeting is the world’s foremost international scientific and a $400 prize for his efforts. effects of ketamine when used to treat depression given by King’s College gathering for materials research. The Graduate Student London’s Dr James Stone, entitled “Ketamine, Glutamate and Brain Imaging”. He discussed the effects of ketamine on brain glutamate levels, functional connectivity, blood flow and neuroreceptor binding, and how these might be related to its antidepressant properties.

Next up was Professor Penny Gowland from the University of Nottingham A talk at the Petrie Museum Chemical & Physical Society Annual Report 2017-18 with “From Star Trek to Medical Imaging – the Physics of MRI” in which she covered the history of MRI and how it is one of the most important medical By Oliver Vas, Co-Secretary advances of the 20th century. Also, some of the lesser known uses of MRI such as studying dynamic changes in physiology and metabolism making it The Chemical & Physical Society (CPS) was founded in 1876 and is the oldest student-run Society in the World! Run by very useful for experimental medicine studies. Unfortunately, Star Trek was an enthusiastic team of undergraduates, with support from academic staff, who act as Presidents and Vice-Presidents in only mentioned as an afterthought… a mentoring and advisory capacity, the CPS hosts weekly talks during term time held every Tuesday evening. A rather different topic to our usual talks was “Analytical Techniques to To start the 142nd CPS year, we had a very interactive talk from Stuart Archer from the University of Sheffield“Culinary Determine Material Properties of a Tudor Collection” by Dr Eleanor Chemicals” where we were given an insight into the innovative ways chemistry can be used to create new foods. With Schofield of the Mary Rose Trust. This talk explained how different artefacts plenty of free samples to taste he had us all hooked from start until the finale where he made liquid nitrogen ice cream in are preserved and how their constituent components are determined so as front of our very eyes. In case you were wondering, it tasted much smoother than conventional ice cream! to best look after them. Then the SCI’s very own Dr Fred Parrett stepped in to give his famous talk “The Black Stuff” (aka the Bitumen talk). The Some artefacts at the Petrie Museum Following that we welcomed the University of Bristol’s Dr Wuge Briscoe who gave a talk on “Nature’s Secret Lubricants”, ever-increasing demands to improve the material properties of this complex explaining the lubrication methods employed by the human body such as on the surfaces of our eyes and in our knees, material has resulted in interesting developments. It’s not just about roads and how recent research is trying to exploit such mechanisms for industrial use. In a very different talk “Secret Science and paving – as we discovered – bitumen itself is used in a whole range of of Superheroes” by Professor Mark Lorch of the University of Hull, we learnt about the chemistry, physics and biology materials. needed for superpowers. He also explained how superheroes can synthesise elements on demand, what superhero suits could be made of and what sort of diets they would need to have to be able to fully function. Our presidential lecture by our own Dr Gemma-Louise Davies, “Nano-bots: Movie Fiction or Scientific Innovation?”definitely struck the right balance Jan Knight, CEO of Knight Scientific Limited, covered the applications of bioluminescent proteins in the detection of between entertaining and informative with a few pop culture references thrown stress and anxiety in Professional athletes as well as a method for the early detection of STIs using urine samples in in here and there. Dr Davies explained her own research into nanomaterials her talk “Field Sports and Bedroom Sports”. Continuing a medical theme, Dr Nicholas Evans from the University of and the future of this field in treating diseases by putting nano sized machines Southampton gave the talk “Making Replacement Body Parts in the Lab” in which he detailed the issues with organ into our bodies! donor lists and the research being carried out to synthesise human tissues and organs in the lab to meet this demand using stem cells and biomaterials. Dr Jonathon Brooks from the University of Leicester came next with Professor Penny Gowland “A Dead Cert? – Can VOC Measurements of Decomposition be used to This year for our annual outing we visited the Petrie Museum of Egyptian Archaeology where we were given an Enhance Victim Recovery Detection Dogs?”. Currently the use of police informative introduction by the curator, Anna Garnett, followed by time to walk around with a glass of wine staring artefacts dogs lacks a fundamental scientific understanding of what it is the dogs and mummified remains! are detecting. The University of Leicester has been working with the police to understand which volatile organic compounds released during human We then welcomed back one of UCL’s former Professors, Professor Richard Catlow, currently the Foreign Secretary of decomposition are being detected by these dogs. This talk did not however the Royal Society, to give the talk title “Chemistry and Global Challenges”, which largely speaks for itself. He examined feature any live dogs. topics such as solar power and the shortage natural resources and what is being done to create a sustainable planet for the population. For a second year running UCL’s Dr Stephen Potts delivered his event “Wine is a Solution” where we not only got a chance to taste an array of wines but To finish off the Autumn term we hosted the now famous annualCPS Christmas Quiz which was, as always, a huge also the major components of wine and there was a bit of chemistry in there success (despite Sainsbury’s not delivering half of the order). Many thanks to all of those who help set up and organise the as well! quiz, and of course to Dougal who single handedly wrote the entire quiz! Dr Jonathon Brooks Also, in its second year, was the CPS Boat Party, a fantastic note to finish In the Spring term Dr John Emsley, a well-known science writer, started us off with “The Shocking History of Phosphorus” the year on. Despite a few last-minute problems such as a lack of a DJ, we based on his book of the same name. This was an exceptionally interesting talk about the uses and impact phosphorus has managed to pull off quite an event that was well received by all who attended. Many thanks to the organisers and everyone had on society including its role in the feminist movement for fairer pay for female factory workers and some of its more who came along. violent uses such as in incendiary bombs in the second world war. For more information about the talks scheduled for the upcoming Academic year, please visit www.cpsucl.com, where you Following on from this we had two back to back drugs talks which were easily the most attended talks of the year (with some can also find information about joining the Society and becoming a lifetime member!

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2018 CHEMISTRY LAB DINNER Leonard Lovelock (UCL Chemistry, 1940) 100 year old celebrates his UCL graduation We are pleased to announce that this year’s Chemistry Lab Dinner will be taking place on In 1940, Leonard Lovelock was awarded his BSc in Chemistry from UCL. Leonard, who celebrated his 100th birthday Friday 23rd November 2018 in April, was one of the cohort evacuated during the war and was subsequently never able to attend a graduation ceremony. 78 years later we were delighted to invite Leonard back at UCL for the first time to celebrate his milestone at the Ambassadors Bloomsbury Hotel birthday and give him the graduation celebration he never had. For further details please visit our website: Leonard and his family were pleased to meet with members of the UCL Alumni Relations team along with UCL http://www.ucl.ac.uk/chemistry/about-us/chemistry-lab-dinner Chemistry Professor Alwyn Davies, where they shared memories and learnt of developments at the university.

This year we are thrilled to announce the Thomas Graham Lecture will be given by Professor The party went on a tour of the “new” (built in 1970) Chemistry department lead by UCL Chemistry Deputy Head of Helen Fielding. Helen received a BA from the University of Cambridge before carrying out Department, Dr Dewi Lewis and UCL Chemistry Professor Andrea Sella. research in the field of Rydberg state spectroscopy under the supervision of Professor Tim Softley (University of Oxford DPhil, 1992). She then carried out postdoctoral research as an 1851 Research Fellow in the Department of Physics at the University of Amsterdam before becoming a Lecturer in Physical Chemistry at King’s College London in 1994. She moved as a Professor to University College London in 2003, where she is currently Head of Physical Chemistry. Her current research is focused on employing photoelectron spectroscopy to probe the electronic structure and ultrafast relaxation dynamics of photoexcited systems ranging in complexity from small organic molecules to protein chromophores. During the last 15 years she has designed and built instruments to study neutral molecules in molecular beams, molecular anions generated by electrospray ionisation and, most recently, molecules, ions and proteins in liquid microjets. Her research has been recognised by RSC Harrison (1996), Marlow (2001) and Corday-Morgan (2005) medals and the IOP Moseley medal (2008). Alongside her research, she has made major contributions to the Royal Society of Chemistry, which were recognised by an Award for Service in 2017.

Our after-dinner speech will be given by Dr Rob Jackson. Rob graduated from UCL in 1978 with a BSc in Chemistry and Physics, and in 1984 with a PhD in Theoretical Chemistry (supervised by Dr Stuart Walmsley). After postdoctoral positions at UCL, Birkbeck and Keele, he was appointed as Lecturer at Keele in 1988, and was subsequently promoted to Senior Lecturer in 1996, and to Reader in 2000, recently serving a term as Acting Head of School. His research interests are in computer modelling of inorganic materials, particularly with Read the full interview with Leonard at optical and energetic applications. Outside research, he helped run the Chemistry Section https://www.ucl.ac.uk/campaign/news/2018/aug/leonard-lovelock-1940s-chemistry-alumnus of the British Science Association for 20 years, organising the Chemistry contribution to the annual British Science Festival, and he is active in the RSC’s Solid State Chemistry and Applied Materials Chemistry Special Interest Groups.

We have also invited the President of the Chemical & Physical Society, Dr Stephen Potts, to give a short speech on the current status of the CPS and how you can get involved. Stephen joined us in 2016 as a Teaching Fellow from Queen Mary University of London, and he was promoted to Senior Teaching Fellow this year. Picture caption: Professor Alwyn Davies finds Mr Lovelock in a ‘class photo’

How to secure your place We operate on a first come, first served basis and have 80 places available. The full cost of the evening is £45. For current postgraduate students, a limited number of tickets will be charged at £25. To book your place at this year’s event, please complete a booking form (found on the link above for payment information). All cheques should be made payable to “University College London”. Tickets are non-refundable.

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Obituary Donations Our History

Brenda Mary Prestt (Irlam) Those UCL Alumni and friends who support the 1926 – 2018 department directly, help us to build on our international The fourth edition of the pictorial history of the college has been published: The World of UCL, by Negley Hart, Brenda Irlam came to College in 1944 just as the reputation for teaching and research and make a range John North and Georgina Brewis. UCL Press. It costs £30, but is available through the College Shop for £20, but, Department was returning from wartime evacuation in of exciting activity possible. Your kind contributions have what is more, is Open Access and can be downloaded for free from ucl.ac.uk/ucl-press. Aberystwyth, and I was in the same group of students. a direct impact upon our students and staff and we are A few copies of the history of the Chemistry Department are still available: UCL Chemistry Department 1828-1937, As facilities were limited we had to do our practical very grateful for it. physics in pairs, and we were asked to find a partner. by Alwyn Davies and Peter Garratt. It is available through the college shop, free of postage, for £12 or through the authors ([email protected]; [email protected]). Brenda and I presented ourselves to the demonstrator We would like to thank the following UCL Alumni as an appropriate pair, but got a horrified reception. Donors for their help over the last year:- The Physics Department could not accept a man and a woman working together, and we were sent off to find Dr John Henry Aupers more appropriate partners. Dr David Baxendale She went on to get a First Class B.Sc. in two years, then Dr Adrian Bradley a Ph.D. in a further two years, working with C.K. Ingold on Mr Gordon Hugh Brown Sir William Ramsay and the fatal addiction neighbouring group effects on SN1 reactions. She rowed Mr Gary Belchem for the College women’s eight and was Vice-President of Squadron Leader Peter Claridge By Alwyn Davies the Mountaineering Club. In 1948 she was appointed to Mr Calvin Chu a lectureship at the University of Exeter, and in 1949 she In the four years from 1894 to 1898, in a spectacular Most academics in that period would be painted sitting Dr Jack David Forrester was married to Henry Prestt.. She taught at Leicester burst of research, William Ramsay discovered five new at a desk writing or reading. Ramsay had himself painted until1954 then took ten years off and brought up a family Professor Peter J Garratt gases, helium, neon, argon, krypton, and xenon, and in his favourite place, in the laboratory, at the bench, of three daughters. Miss Vanessa Gstettenbauer added a whole new group, Group VIII, to the seven in doing glass-blowing repairs to a glass vacuum line. He Mr Frank Willam Haslam Mendeleev’s Periodic Table. This provided a keystone to was never happier than when doing experimental work. She then started teaching part time in Yorkshire, then Dr J Michael Hollas our understanding of atomic structure, and for this work, He had learned glass-blowing from his assistant, Sydney moved to Cheshire and lectured at Didsbury College Mrs Karen Susan Kershaw in 1904, he was awarded the first Nobel Prize in chemistry Young, when he was in Bristol, and he worked on the of Education (later part of Manchester Metropolitan to come to a British subject. equilibria between gases and liquids. He became expert Dr Alan John William Lobo University). She worked on a voluntary basis as the in designing and constructing apparatus, largely in glass, Director of CISTEL (Centre for industry, Science, Dr Susan Christine Mangles and in manipulating small amounts of gases. Technology and Education) and was active on many Dr Dominic Peter Mann committees including the Council for national Academic Mr Benjamin John Merrifield He carried through this love of experimental work Awards, and the Joint Matriculation Board., and was the Professor Richard V Parish into his lectures. We have the note book of one of his general editor of a series of science books for Primary Professor Edward Arthur Robinson students, and in the front he has written: “Practically School children. In 1986 she was awarded a M.Sc. for every laboratory preparation described was carried out Dr Adam Ian Sotowicz her work on the role of women in the fields of science on the lecture bench, and a sample of every substance and engineering. Dr Graham Walker mentioned was to be seen, Any unusual properties were demonstrated”. Figure 2 shows him lecturing, with the When they retired, she and Henry bought a large house bench covered with apparatus. He isolated argon in with a 7 acre garden in Sussex, and spent part of the Plus all the others who wish to remain anonymous – August 1884, and already in the November, when the winter months trekking in the mountains of Nepal, and the thank you all. academic year had started, he demonstrated the isolation summer months in restoring the garden and entertaining in an undergraduate lecture. their large family which included 11 grandchildren and one great grandchild. He tried to go round the teaching labs every day, and carried on his watch chain a platinum spatula for poking She was a talented and inspirational woman, far ahead the students’ precipitates. He smoked, and rolled his own of her time. She was dedicated to her family, to her work cigarettes, scorning the machine-made ones as being in education, and to working for the benefit of others. unworthy of an experimentalist. He modestly ascribed Alwyn Davies his own success in isolating the noble gases, to having a large flat thumb for closing the ends of tubes of gases Figure 1 William Ramsay when he removed them from the mercury troughs.

The key to his success is apparent in his portrait painted This love of experimental work is also shown in the song in 1905, which we have in the Department (Figure 1). overleaf, which he wrote and sang at the Lab Dinner in 1898:

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The Atmospheric Gases, O! (Air - Green grow the rushes, O!) UCL Chemistry Outreach There’ nought but air on every han’, In every breeze that passes O; Robert Palgrave, Chair of Publicity What guides the windmill or a fan, and Recruitment Committee An’ ‘twere na for the gases O.

Chorus: Here’s tae their masses O, Their atomic masses O, The 2017-18 academic year was another busy one for UCL Chemistry The happiest hours that ere I spend Figure 2 Rayeigh’s and Ramsay’s apparatus for outreach which has seen us welcome Are spent among the gases O. isolating argon almost 1,000 students and teachers Rayleigh generated a spark in air, which caused the The wardly race may riches chase Figure 3 Apparatus used to show that helium was to our department for outreach days, And riches still may fly them O nitrogen to be removed as oxides of nitrogen. With his a decay product of radon as well as seeing our members of And tho’ at last they catch them fast experience in constructing apparatus, Ramsay could staff and students visit many schools Their apparatus is shown in Figure 3. Radon was Their hearts can ne’er enjoy them O. be more ambitious and he constructed the gas train in around the country. which atmospheric nitrogen was passed over red hot contained in a thin-walled capillary which was enclosed Gie me a cannie hour at e’en, magnesium where it reacted to form solid magnesium in a wider evacuated tube. Radon has a half-life of 3.8 Our regular programme of Spectroscopy Days and A pint o’ liquid airie O, 3 days and alpha particles from its decay passed through Adventures in Molecular Science lets sixth formers get a A tube or twa ‘o impure Neon, nitride. Ramsay’s advantage is obvious: From 50 cm of 3 the capillary walls and the outer tube developed the I’ll never ha’e a carie O. air, Rayleigh obtained 0.3 cm of gas – a small bubble taste of university teaching, with lectures, workshops and with which he could do nothing further. From 10 or 11 L of characteristic yellow discharge spectrum of helium. practical sessions. As well as this we have continued our In liquid sate, I’ll fractionate nitrogen, Ramsay obtained 104 cm3 of a new gas on which collaboration with the Tutorfair Foundation, a charity that And in 1910, Ramsay and Whitlaw-Gray, built the Wi’ Travers and wi’ Baly O, he was able to determine the density, atomicity, discharge helps provide 1-on-1 tuition for those school students balance shown in Figure 5 and showed that 6.58 x10-5 And we are sure we’ll make it pure spectrum, and chemical properties, and together they who can’t afford it. Tutorfair brought 100 of their students ml of radon weighed 6.55 x 10-7g, giving it the atomic And weigh it on the scalie O. were able to announce the discovery of the first of the for a chemistry taster day, where they got some hands weight of 222 and confirming its position as the sixth noble gases, argon, with an atomic weight of about 40. on experience with our spectrometers which helped noble gas. And Xenon tae, we’ll catch and weigh them work out molecular structure of a compound they And find its refractivity, had synthesied themselves. We also continued our work And now it’s done, we’ ripe for fun In 1895 he obtained helium, with an atomic weight of 4, To join you in festivity. from the gas occluded in a uranium mineral. with the Salters Institute, with which we ran two festivals of chemistry for 11-13 year olds over Easter. This year Sae lads o’ mine, pour out the wine, These two gases could find no place in Mendeleef’s we also teamed up with the charity Generating Genius Fill bumpers in your glasses O. original Periodic Table, but they could fill the first and third to give Chemistry taster days to their cohort of high Wi’ three times three, come join wi’ me, places of a new Group VIII if it were added to the original performing students in state schools. “The atmospheric gases O“. seven. Ramsay thus set out to find the missing gas with an atomic weight of about 20 to fill the second place in Group We have also been working hard with the charity When the opportunity arose, his superb experimental VIII. In 1898 he decided that this new element was hiding Institute for Research in Schools, and UCL now leads skill gave him the edge over other possible competitors, in his argon, but to fractionally evaporate the liquefied a nationwide project on Ionic Liquid synthesis, carried and enabled him to isolate the noble gases. In the long argon using liquid air which had become available, he out in school labs by enthusiastic sixth formers. This run his dedication was to be the cause of his untimely would need a large volume of argon. He obtained 18 project gives the students a taste of real life chemistry death. On April 19th 1894, Lord Rayleigh lectured at research with equipment they can find in a typical school litres by converting the batch-wise process shown in Figure 4 Apparatus for determining the density the Royal Society on his work on measuring the atomic classroom. Several schools have visited UCL Chemistry Figure 3 into an ingenious semi-continuous one in which of radon weights of gases by determining their densities, and a Sprengel pump was used to circulate the nitrogen over to carry out NMR and MS on their ionic liquid samples – Ramsay was in the audience. Rayleigh said that he the magnesium until absorption was complete. From this The dangers associated with radioactivity were one school has even synthesised carbon nanoparticles found that the density of nitrogen, which he had obtained impure argon he isolated neon, with A.W. 20, and from the not appreciated and throughout this work, Ramsay in their ionic liquid that we characterised by TEM. from the air, was greater than that of nitrogen, which liquid air resides he isolated krypton, A.W. 84 and xenon, was handling the radioactive compounds with no Prof Andrea Sella has led the pioneering air pollution he had prepared in the laboratory. The difference was A.W. 130. precautions: His notebook from that period is still small, about half of one percent, but the result was radioactive. He developed cancer of the jaw and after project in primary schools, in which our first year Chemistry undergraduate students help local schools reproducible: atmospheric nitrogen was denser than what From 1900 onwards, Ramsay’s research was mainly on two operations he died on July 23 1916 at the age of monitor the air pollution in their neighbourhoods. This is he called laboratory nitrogen. After the lecture Ramsay radioactivity, and again it is characterised by ingenious 64. His love of experimentation, which had marked his a great way to show the importance of outreach to our and Rayeigh discussed the problem. They agreed that design of apparatus and its meticulous manipulation. Here whole career, ultimately proved fatal. undergraduates. it implied that nitrogen from the atmosphere contained are two examples. an unrecognised, heavy, unreactive, gas. They set out, I’d like to thank all staff and students involved in outreach independently, but in communication, in an attempt to In 1902 with Soddy, he showed that helium, was the and look forward to another exciting year. isolate this supposed gas, and their different methods are product of radioactive decay of radon. shown in Figure 2, the physicist, Rayleigh’s, on the left and the chemist, Ramsay’s, on the right.

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UCL Medicine-Chemistry collaboration breaks new The Centre for Computational Science – Advancing ground for Diagnostic Imaging Science through Computers

A University College Hospital patient has been diagnosed with prostate cancer using a hyperpolarised MRI scan in Professor Peter Coveney August 2017, as part of a UCL trial looking to develop more accurate and personalised treatment for cancer. The scan was the first time this experimental imaging method was used in Europe to scan a patient with prostate cancer and Graphene was able to help doctors confirm the location and state of the patient’s tumour. The trial, led by Dr Shonit Punwani, is Our new forcefield for describing graphene-graphene interactions, GraFFm, was published in a novel programme hoping to revolutionise diagnosis, risk stratification and therapy for people with cancer, based on Advanced Materials early this year. Built using quantum calculations and experimental results innovations in MRI technology. it allows us to simulate for the first time graphene’s unusual superlubric behaviour. We found that when graphene nano-flakes were given a small push it caused them to slip very large Hyperpolarised MRI is an emerging medical imaging technique that uses carbon-13 enriched metabolites as tracers, in distances along a graphite surface. The flakes gradually slow down, losing energy when particular 13C-pyruvate. Hyperpolarisation with dynamic nuclear polarization give a signal increase 10,000 times above they fleetingly align with the substrate lattice. These alignments cause the flake to rotate and conventional NMR. This allows the metabolic activity of tumours, such as transformation of pyruvate to lactate, to be deflect causing chaotic motion. The distance travelled by these flakes depended on their size, measured in patients. The goal of the study is to determine if metabolic information, along with anatomical imaging, can which may in future prove to be a method of separating different flakes allow more accurate diagnosis and stratify patients for treatment. However, the technology is still at an early stage and depends on extensive collaboration between medical sciences and Chemistry. SCALE 2018 Award The GMP team; Frazer Twyman, Matthias Glaser, The efficacy of drug treatments depends on how tightly small molecules bind to Ramla Awais, Thibault Gendron, Erik Arstad and their target proteins. Quantifying the strength of these interactions (the so called Kerstin Sander. ‘binding affinity’) is a grand challenge of computational chemistry. The Centre for Computational Science (CCS) and Rutgers University, USA, won the SCALE award The Good Manufacturing Practice (GMP) facility, (11th IEEE International Scalable Computing Challenge), for their work with HTBAC led by Professor Erik Arstad, played a central role in (High-Throughput Binding Affinity Calculator) managing calculations of the binding this study by developing a process for filling of kits with affinity of a range of drugs targeting a specific protein. Their runs demonstrated the 13C-pyruvate under sterile conditions. Advances made ability to use thousands of nodes to run coordinated batches of simulations. at UCL allowed for the first time to fill such kits in a laminar air flow isolator, an important step towards formal trials CompBioMed Virtual Humans film with hyperpolarised MRI in patients. Following filling, the The European Centre of Excellence, led by the CCS, on computational biomedicine kits are pressured with helium to allow for the extreme (CompBioMed, www.compbiomed.eu) and their partners, have produced a stunning conditions needed to hyperpolarise the tracer, and the 6 minute film explaining computational modelling of humans and exploring the whole assemble is finally laser-welded in a clean room. possibility of producing a digital twin of ourselves in the future. This was premiered at the London Science Museum on 27th September 2017, and has won awards and These three images show an axial T2 weighted MRI nominations at a number of science/film festivals since. It was released on YouTube (Image A) and Apparent Diffusion Coefficient map at the beginning of March and has had over 6000 views (https://www.youtube.com/ (Image B) acquired as part of a routine multi-parametric watch?v=1FvRSJ9W734&t=8s). Why not see it for yourself? MRI study of the prostate. 13C spectroscopic lactate image (Image C) demonstrates high levels of lactate at the position of the biopsy positive Gleason 3+4 tumour Computational Model of the Full Arterial Tree site (red arrow). We have made important progress in preparing the full human arterial tree for simulation in 3D using the lattice-Boltzmann method. Obtained from CT scans of a male individual, Dr Shonit Punwani, Reader in Magnetic Resonance and Cancer Imaging and UCLH honorary consultant radiologist, the tree has been voxelized to O(10) microns. This has been made possible by our newly said: “The multi-disciplinary research team have spent the past two years installing and testing the equipment, creating developed pre-processing workflow and memory-optimised implementation of HemeLB (our standard operating procedures and planning the study in great detail. We are really pleased to have scanned our first lattice-Boltzmann code for the simulation of blood flows in sparse geometry), allowing for the patient and we will continue to work closely with other sites, in the UK and internationally, to develop this technology simulation of gargantuan problems consisting of billions of lattice sites (at which calculations further.” Dr Punwani is the principal investigator of the Hyperpolarised MRI study which is developing the technology so are performed) on hundreds of thousands of processors. Furthermore, with HemeLB fully that a full clinical evaluation can take place. coupled to Alya Red, an advanced code for simulating the human heart with incredible accuracy, we will provide new insight into the operation of the full circulatory system; as Professor Erik Arstad, Director of the GMP facility, said: “This is a major achievement following extensive work to allow in reality, the computational heart will drive the blood through the arterial tree. This is a filling of kits for hyperpolarised MRI under sterile conditions, and to ensure efficient and safe hyperpolarisation prior to milestone in blood flow simulation, and moves us a step closer to the virtual human. patient scanning. With the first patient scan on Campus, the work has open up for a number of diagnostic studies that can help advance hyperpolarised NMR to become a routine clinical tool”. Finally, the VECMA project (Verified Exascale Computing for Multiscale Applications, www. vecma.eu), led by CCS, started on June 15th 2018. It will enable a diverse set of multiscale, The equipment underpinning this work is a new Spinlab Hyperpolariser from GE situated at the University College Multiphysics applications to run on current mult-petascale computers and emerging exascale Hospital Macmillan Cancer Centre, and designed to work in conjunction with existing MRI equipment to provide non- environments with high fidelity. invasive metabolic assessment of tumours. The study is supported by funding from the Medical Research Council, the Wellcome Trust, the National Institute of Health Research UCLH Biomedical Research Centre (where Dr Punwani is Director of Clinical Imaging), Cancer Research UK, as well as philanthropic funding from the Mitchell Charitable Trust.

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New blood test to detect liver damage in under an hour WASP@N: Web Assisted Structure Vanished without a trace: Prediction “at” the Nanoscale The impurity-triggered disappearance A quick and robust blood test that can detect liver damage before symptoms appear has been designed and verified of ice II reveals a fundamental using clinical samples by a team from UCL and University of Massachusetts. The test could address a huge need for Scott M Woodley early detection of liver disease as it distinguishes between samples taken from healthy individuals and those with varying anomaly in water’s phase diagram degrees of liver damage. Nanoparticles are used everywhere; in Christoph Salzmann smart windows, in sun cream and as A sensor that uses large molecules called polymers, coated with catalysts in car exhaust pipes. Their size The importance of water fluorescent dyes that bind to blood proteins based on their chemical provides an additional variable that can in a wide range of different properties was designed. The fluorescent dyes change in brightness be changed in order to tune its properties. But, have settings and environments and colour, yielding a different pattern of fluorescence depending on the you ever wondered whether the atomic structure of the cannot be overstated, and protein composition of the blood sample. smallest grain of salt resembles a piece cut from the it is deeply rooted in our familiar rock-salt phase of alternating sodium and chloride The sensor was tested by comparing results from small blood samples conscience that there is ions on a cubic lattice or perhaps a different structure as (equivalent to finger-prick checks) from 65 people, in three balanced something very special more atoms are associated with the surface (thus under groups of healthy patients and those with early-stage and late-stage about this material. From coordinated) as opposed to the bulk? fibrosis. The groups were determined using the Enhanced Liver Fibrosis the scientific point of view, water and its many (ELF) test which is the existing benchmark for liver fibrosis detection that Now you can easily find out using our interactive solid forms display a multitude of unusual properties requires samples to be sent away to a lab for analysis. It was found that website, where ball and stick models of published atomic and anomalies that are still very poorly understood. the sensor could identify different patterns of protein levels in the blood structures of these nanoclusters can be generated then Famous examples include the highly unusual properties serum of people in the three groups. rotated with a click of your mouse. One of the main of supercooled water, the ordering of water molecules in threads of my research is that of developing and applying “By comparing the different samples, the sensor array identified a ‘fingerprint’ of liver damage. thin ice films as well as the well-known fact that icebergs global optimisation approaches to predicting these atomic This method is known as a chemical nose, as it can recognise the difference between healthy and float on water. Recent collaborative work between the structures, which are then used as the starting point of unhealthy blood samples without relying on known disease markers,” said co-lead author Dr William Salzmann, Bramwell and Slater groups published in further computational investigations into their chemical Peveler, who completed the research while on a EPSRC doctoral fellowship at UCL Chemistry Nature Physics reveals a fundamental anomaly in water’s and physical properties using electronic structure department, with Professor Claire Carmalt before moving to the University of Glasgow. phase diagram that might be at the very heart of its techniques. general tendency to anomalous behaviour. William J. Peveler, Ryan F. Landis, Mahdieh Yazdani, James W. Day, Raakesh Modi, Claire J. Carmalt, William M. Rosenberg, Vincent M. Rotello. A Rapid and Robust Diagnostic for Liver My group, and in particular the main software developer The starting point of their discovery is the intriguing Fibrosis Using a Multichannel Polymer Sensor Array. Advanced Materials, 2018; 1800634 DOI: Thomas Lazauskas who at the end of this project has experimental observation that one of the high-pressure 10.1002/adma.201800634 secured a permanent position at the Alan Turing Institute, have just completed the development of this database phases of ice, namely ice II, disappears in a highly of nanoclusters, our Hive of knowledge, which is part of selectively fashion from the phase diagram upon addition a five year EPSRC funded project. To allow access and of small amounts of ammonium fluoride. The other phases interaction with the Hive, we have built a Web interface, of ice are perfectly happy to incorporate the impurity. UCL Chemistry to run new National X-ray Photoelectron which we refer to as the Wasp toolkit. The mapping This finding shows that ice II is a highly topologically between the structures and various properties is an constrained material which means that the water Spectroscopy Service essential element, or feature, of the Hive database, which molecules in ice II interact with each other over very long is generated by algorithms that form part of a separate distances. In a sense, whatever happens to one water EPSRC has awarded £3.2m jointly to UCL Chemistry and University of Cardiff to run a key National piece of code, aka the Bee software. The Bee software molecule in a crystal of ice II – the effect is “felt” by all the Research Facility for 5 years. The new service, named HarwellXPS, is based at the Rutherford runs on dedicated computing facilities, whereas, the Wasp other molecules. The small disturbance by the ammonium Appleton Laboratory in Oxfordshire, next to the UK’s synchrotron and neutron source. Dr Robert interface links the user, the Hive and the Bee software. With fluoride therefore has a catastrophic impact on all of the G. Palgrave (UCL Chemistry) is Co-Director of the new facility, which allows any UK academic open access to the Hive, a number of security measures ice II and makes it disappear. Building on knowledge or industrial user access to state of the art photoelectron spectrometers, and expert advice on have been employed in order to protect the integrity of the from related magnetic materials, the researchers then data analysis and interpretation. Photoelectron spectroscopy (PES) is a technique based on the data and the computing facilities from malicious attacks argue that the special character of ice II provides a new photoelectric effect – electrons are ejected from a surface by incoming photons; measuring these (to complete the analogy, we refer to unwanted visitors to deeply-rooted explanation for the existence of a host of electrons gives information about the elemental composition, the Hive as hornets). More details of this project has just anomalies in water’s phase diagram. In this sense, the chemistry and electronic structure of the surface. This information been published in Faraday Discussions (DOI: 10.1039/ special nature of ice II is the key for unlocking the door to is useful for any kind of study where the surface of a material plays C8FD00060C) and we encourage you to take a look at finally understanding water and the many phases of ice. a leading role – for example, heterogeneous catalysis, corrosion, http://hive.chem.ucl.ac.uk – it is free Article information: Doping-induced disappearance of coatings and thin film technology etc. We encourage users to visit to register and is designed for both ice II from water’s phase diagram the facility and interact with the instrument scientists as the analysis the curious public as well as scientists is taking place – this helps users understand the measurements working in the field of nanoclusters. Jacob J. Shephard, Ben Slater, Peter Harvey, Martin Hart, Craig and get the most from their data. L. Bull, Steven T. Bramwell, Christoph G. Salzmann*

We also run three training events per year at the facility, and in July Nat. Phys. 14 (2018) 569-572 2018 we hosted the UK Surface Analysis Forum summer meeting. highlighted by phys.org, Austrian Press Agency, derStandard daily newspaper, myScience, and the ISIS neutron and muon Further details can be found at www.harwellxps.uk source.

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

Deposition of titanium-doped chromium oxide Expanding the biochemical toolbox for protein Development of a Spectroscopic Technique and Grants and Awards onto microsensor platforms modification at cysteine Instrument for In Vivo Cartilage Assessment Summer Studentship: Development of XPS as a £2,000.00 £375,298.47 £62,175 method for quantitative phase analysis McGowan Sensor Labs Ltd EPSRC EPSRC D2U £1,520.00 PI: Professor Christopher Blackman PI: Dr Derek Macmillan PI: Professor Paul McMillan Analytical Chemistry Trust Fund 13 November 2017 1 March 2018 1 June 2018 PI: Dr Rob Palgrave 31 July 2017 Ice - a highly complex material: New mechanistic Faraday Challenge Multi-Scale Modelling Vapour deposited nanomaterials for biosensing insights into its phase transitions and mixing with £2,298,966.10 £10,632 X-ray crystallography on sub milligram samples hydrophobic species EPSRC EPSRC KEIF using the crystalline sponge method £99,308.71 PI: Professor David Scanlon PI: Professor Christopher Blackman £40,000.00 Royal Society 1 March 2018 5 June 2018 Syngenta Ltd PI: Professor Christoph Salzmann PI: Professor Claire Carmalt 1 December 2017 Computational identification of metal-organic- Verified Exascale Computing for Multiscale 25 September 2017 frameworks for high-value fine chemicals Applications Development of 3D printed microstructured £94,992.00 £792,619.00 Precision cancer targeting by combinatorial low- reactors for fine chemical production Royal Society European Commission Horizon 2020 affinity binding £104,881.50 PI: Professor Ben Slater PI: Professor Peter Coveney £32,000.00 VITO Flemish Institute for Technological Research 31 March 2018 15 June 2018 Medimmune LLC PI: Professor Andy Beale Site-selective antibody modification by cysteine- PI: Professor Giuseppe Battaglia 15 December 2017 Methyl Transferases for the Functional 1 October 2017 Diversification of Bioactives to-lysine transfer (CLT) Integrating and managing services for the £268,487.01 £411,776.62 EPSRC Materials research hub for energy conversion, European Open Science Cloud BBSRC/European Commission capture, and storage PI: Professor Helen Hailes PI: Dr Jamie Baker £57,739.79 16 July 2018 £132,837.64 European Commission Horizon 2020 1 April 2018 EPSRC PI: Professor Peter Coveney Understanding How The Microenvironment Of A PI: Professor Paul McMillan 1 January 2018 CRUK Major Centre London 1 October 2017 £59,888.00 Protein Can Dictate The Course Of Bioconjugation CRUK Cancer Research UK £154,274 Interface design for high efficiency solution Leverhulme Trust Computational study of DeNOx catalysts processed solar cells PI: Professor Jim Anderson £32,000.00 1 April 2018 PI: Dr Vijay Chudasama £114,850.79 1 August 2018 Johnson Matthey PLC British Council PI: Professor Furio Cora Developing inkjet printable electronics inks and PI: Dr Bob Schroeder Neuro-oncological precision nanomedicines 1 October 2017 8 January 2018 coatings £100,000 £780,882.44 EPSRC Engineering and Physical Sciences Research Council Computational Discovery of Earth Abundant Solar Conducting polymer fibres for thermoelectric fabrics EPSRC D2U Absorbers PI: Professor Jawwad Darr PI: Professor Giuseppe Battaglia £35,476.18 2 September 2018 £35,000.00 Leverhulme Trust 1 April 2018 Bio Nano Consulting PI: Dr Bob Schroeder A Combined Activation/tethering Strategy To PI: Professor David Scanlon 8 January 2018 To Embed New Capabilities In Omniphobic Powder 1 October 2017 Lariat Peptides Technology To Develop Innovative ‘easy-to clean’ £185,286 Design of Mixed Anion Inorganic Semiconductors Slip Resistant Flooring And Hygienic Wall Cladding Operando X-ray Absorption Spectroscopy and Leverhulme Trust for Energy Conversion In Altro Product Lines Thereby Leading To Near Atmospheric Pressure X-ray Photoelectron PI: Dr Derek Macmillan £1,098,469.20 Business Growth 3 September 2018 Spectroscopic studies of industrial catalytic European Commission Horizon 2020 materials £191,790.00 PI: Professor David Scanlon Probing novel doping mechanisms for high £27,800.00 Altro Limited/Innovate UK 1 February 2018 mobility transparent conducting oxides Johnson Matthey PLC PI: Professor Claire Carmalt 1 May 2018 £44,214.00 PI: Professor Gopinathan Sankar A New Antibacterial Route to Selectively Rupture 1 October 2017 Diamond Light Source Ltd Bacterial Membranes Development and Testing of a Reference PI: Professor David Scanlon £30,000.00 Homogenous Catalysis Under Electrochemical Computational Platform for Understanding Bio- 1 October 2018 The Academy of Medical Sciences Control molecular Recognition PI: Professor Stefan Howorka UK Consortium on Mesoscale Engineering £8,588 £156,363.84 1 February 2018 Sciences (UKCOMES) EPSRC IAA European Commission Horizon 2020 PI: Professor Francesco Gervasio £96,153.41 PI: Dr Jon Wilden Borate Esters: Simple Catalysts for the Sustainable EPSRC Engineering and Physical Sciences Research Council 1 October 2017 1 June 2018 Synthesis of Complex Amides PI: Professor Peter Coveney £29,279 Depollution of air using polymer-based coatings 1 October 2018 ISCF Wave 1: (The JUICED Hub [Joint University EPSRC IAA £213,033.00 Industry Consortium for Energy (Materials) and PI: Professor Tom Sheppard Innovate UK Devices Hub]) 1 February 2018 PI: Professor Andy Beale £2,248,579.51 1 June 2018 EPSRC PI: Professor Jawwad Darr 8 November 2017

26 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 27 GRANTS AND AWARDS PUBLICATIONS PUBLICATIONS

Abouelamaiem DI, He G, Parkin IP, Bahou C, Richards DA, Maruani Bell RG, Structure Prediction of Braun DE, Lingireddy SR, Beidelschies Understanding structure evolution in supported Neville TP, Jorge AB, Ji S, Wang R, A, Love EA, Javaid F, Caddick S, Microporous Materials, Modelling and MD, Guo R, Müller P, Price SL, Reutzel- metal nanoparticles used in emission control; Titirici M-M, Shearing PR, Brett DJL, Baker JR, Chudasama V, Highly Simulation in the Science of Micro- and Edens SM, Unravelling complexity translating observations made on model catalysts Synergistic relationship between the homogeneous antibody modification Meso-Porous Materials, 2018, 1 in the solid form screening of a to real world applications three-dimensional nanostructure through optimisation of the synthesis pharmaceutical salt: why so many £36,000.00 and electrochemical performance in and conjugation of functionalised Takada A, Glaser KJ, Bell RG, Catlow forms? Why so few? Crystal Growth & Diamond Light Source Ltd and Johnson Matthey PLC biocarbon supercapacitor electrode dibromopyridazinediones, Organic CRA, Molecular dynamics study of Design, 2017, 17, 5349-5365 PI: Professor Andy Beale materials, Sustainable Energy & Fuels, & Biomolecular Chemistry, 2018, 16, tridymite, IUCrJ, 2018, 5, 325-334 1 October 2018 2018, 2, 772-785 1359-1366 Buchholz HK, Hylton RK, Brandenburg Ben-Jaber S, Peveler WJ, JG, Seidel-Morgenstern A, Lorenz H, Coordinated Swarm Behavior With Minimal Abraham MH, Acree WE, Descriptors for Batmunkh M, Macdonald TJ, Peveler Quesada-Cabrera R, Sol CWO, Stein M, Price SL, Thermochemistry Communication In Complex Topographies pentane-2,4-dione and its derivatives, WJ, Bati ASR, Carmalt CJ, Parkin Papakonstantinou I, Parkin IP, of racemic and enantiopure organic £155,118.78 Journal of Solution Chemistry, 2017, IP, Shapter JG, Plasmonic Gold Sensitive and specific detection of crystals for predicting enantiomer US Office of Naval Research 46, 1625-1638 Nanostars Incorporated into High- explosives in solution and vapour separation, Crystal Growth & Design, PI: Dr Giorgio Volpe Efficiency Perovskite Solar Cells, by surface-enhanced Raman 2017, 17, 4676 1 October 2018 Aina AA, Misquitta AJ, Price SL, From ChemSusChem, 2017, 10, 3750-3753 spectroscopy on silver nanocubes, dimers to the solid-state: distributed Nanoscale, 2017, 9, 16459-16466 Burns JR, Howorka S, Defined bilayer Multiphoton UV photoelectron spectroscopy in intermolecular force-fields for pyridine, Bauer D, Roberts AJ, Patnaik SG, interactions of DNA nanopores liquid microjets Journal of Chemical Physics, 2017, Brett DJL, Shearing PR, Kendrick Bhachu DS, Egdell R, Sankar G, revealed with a nuclease-based £52,650.42 147, 161722 E, Matsumi N, Darr JA, High power Carmalt CJ, Parkin IP, Electronic nanoprobe strategy, ACS Nano, 2018, Royal Society sodium-ion batteries and hybrid properties of antimony-doped anatase 12, 3263-3271 PI: Professor Helen Fielding Aliev AE, Bartók AP, Yates JR, Tin electrochemical capacitors using Mo or TiO2 thin films prepared by aerosol 1 October 2018 chemical shift anisotropy in tin dioxide: Nb-doped nano-titania anodes, Journal assisted chemical vapour deposition, Caddick S, Don’t get lost in translation, on ambiguity of CSA asymmetry of the Electrochemical Society, 2018, Journal of Materials Chemistry C, Nature Reviews Chemistry, 2018, 1, 103 HIGH END COMPUTING MATERIALS CHEMISTRY derived from MAS spectra, Solid State 165, A1662-A1670 2017, 5, 9694-9701 CONSORTIUM Nuclear Magnetic Resonance, 2017, Chaisiwamongkhol K, Batchelor- £489,315.64 89, 43374 Bauer D, Roberts AJ, Starkey CL, Bhati AP, Wan S, Hu Y, Sherborne B, McAuley C, Palgrave RG, Compton RG, EPSRC Vedarajan R, Brett DJL, Shearing Coveney PV, Uncertainty Quantification Singlet oxygen and the origin of PI: Professor Scott Woodley Alotaibi AM, Sathasivam S, Williamson PR, Matsumi N, Darr JA, TiO /MoO in Alchemical Free Energy Methods, oxygen functionalities on the surface 1 November 2018 2 2 BAD, Kafizas A, Sotelo-Vazquez C, Nanocomposite as anode materials Journal of Chemical Theory and of carbon electrodes, Angewandte Taylor A, Scanlon DO, Parkin IP, Computation, 2018, 14, 2867-2880 Chemie (International Ed. in English), Synthetic Peptidic Nanovesicles for Targeting for high power Li-ion batteries with Chemical vapor deposition of 2018, 57, 6270-6273 Paediatric Brain tumours exceptional capacity, International photocatalytically active pure brookite Journal of Electrochemical Science, Birkholz O, Burns JR, Richter CP, £146,763.84 TiO thin films,Chemistry of Materials, 2 2018, 13, 5120-5140 Psathaki OE, Howorka S, Piehler J, Chay SK, Keating AV, James C, Aliev A, European Commission Horizon 2020 2018, 30, 13531361 Multi-functional DNA nanostructures Haider S, Craig DQM, Evaluation PI: Professor Giuseppe Battaglia Beale A, Odarchenko Y, David M, Tom A, that puncture and remodel lipid of the taste-masking effects of 1 April 2019 Alowayyed S, Groen D, , Coveney PV CO oxidation over supported gold membranes into hybrid materials, (2-hydroxypropyl)-β-cyclodextrin on Hoekstra AG, Multiscale computing nanoparticles as revealed by operando Nature Communications, 2018, 9, 1521 ranitidine hydrochloride; a combined in the exascale era, Journal of grazing incidence X-ray scattering biosensor, spectroscopic and Computational Science, 2017, 22, 15-25 analysis, Faraday Discussions, 2018, Biswas D, Ganose AM, Yano R, Riley JM, molecular modelling assessment, RSC doi: 10.1039/C8FD00007G Bawden L, Clark OJ, Feng J, Collins- Advances, 2018, 8, 3564-3573 Andac T, Weigmann P, Velu SKP, Mcintyre L, Sajjad MT, Meevasana W, Pince E, Callegari A, Volpe G, Volpe G, Beale AM, Hardacre C, Preface for Kim TK, Hoesch M, Rault JE, Chen F, Lu Y, He G, Tiwari MK, Active Matter Alters the Growth Special Issue in Celebration of the 3rd Sasagawa T, Scanlon DO, King PDC, Carmalt CJ, Parkin IP, Table salt as a Dynamics of Coffee Rings, arXiv UK Catalysis Conference (UKCC), Narrow-band anisotropic electronic template to prepare reusable porous preprint, 2018, arXiv:1803.02619 Topics in Catalysis, 2018, 61, 143 structure of ReS2, Physical Review B, PVDF–MWCNT foam for separation 2017, 96, 85205 of immiscible oils/organic solvents Gaitsch J, Welsch PC, Folini J, Beale AM, Jacques SDM, Di Michiel M, and corrosive aqueous solutions, Schoenenberger C-A, Anderson JC, Mosselmans JFW, Price SWT, Senecal Boutry, CM, Kaizawa Y, Schroeder BC, Advanced Functional Materials, 2017, Meier WP, Revisiting monomer P, Vamvakeros A, Paterson J, Chortos A, Legrand A, Wang Z, Chang 27, 1702926 synthesis and radical ring opening X-ray physico-chemical imaging J, Fox P, Bao Z, A stretchable and polymerization of dimethylated MDO during activation of cobalt-based biodegradable strain and pressure Cheng MHY, Maruani A, Savoie H, towards biodegradable nanoparticles Fischer-Tropsch synthesis catalysts, sensor for orthopaedic application, Chudasama V, Boyle RW, Synthesis of for enzymes, European Polymer Philosophical Transactions of the Nature Electronics, 2018, 1, 314-321 a novel HER2 targeted aza-BODIPY- Journal, 2018, 101, 113-119 Royal Society A, 2017, 376, 20170057 antibody conjugate: synthesis, Brandenburg JG, Potticary J, Sparkes photophysical characterisation Arca E, Kehoe AB, Veal TD, Shmeliov Begum S, Chowdhury A, Ghosh S, HA, Price SL, Hall SR, Thermal and in vitro evaluation, Organic & A, Scanlon DO, Downing C, Daly D, Tocher DA, Rosenberg E, Hardcastle expansion of carbamazepine: systematic Biomolecular Chemistry, 2018, 16, Mullarkey D, Shvets IV, Nicolosi K, Kabir S, Reaction of electron- crystallographic measurements challenge 1144-1149 V, Watson GW, Valence band deficient 6-methoxyquinolinate- quantum chemical calculations, Journal 3 modification of Cr2O3 by Ni-doping: of Physical Chemistry Letters, 2017, 8, Christie JK, de Leeuw NH, Effect of substituted cluster [Os3(CO)9{μ - creating a high figure of merit p-type 1 4319-4324 strontium inclusion on the bioactivity of η ,κ1-C9H5N(6-OMe)}(μ-H)] with PPh3: TCO, Journal of Materials Chemistry Thermally induced ligand isomerization, phosphate-based glasses, Journal of C, 2017, 5, 12610-12618 decarbonylation and orthometallation, Materials Science, 2017, 52, 9014-9022 Inorganica Chimica Acta, 2018, 478, 25-31

28 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 29 PUBLICATIONS PUBLICATIONS

Chudasama V, Bryden F, Savoie H, Darr JA, Zhang J, Makwana NM, Weng X, Eccleston RC, Coveney PV, Dalchau N, Fitzmaurice BC, Appleby-Thomas GJ, Garciadiego Ortega E, Evans JRG, Grounds H, Ermanis K, Newgas S, Maruani A, Cheng M, Beeby A, Continuous Hydrothermal Synthesis of Host genotype and time dependent Painter JD, Ono F, McMillan PF, Hazael On the energy required to maintain Porter MJ, Conversion of alcohols to Rodrigues J, Boyle RW, Assembly of Inorganic Nanoparticles: Applications antigen presentation of viral peptides: R, Meersman F, Tolerance of Artemia an ocean mirror using the reflectance phosphorothiolates using a thioiminium high-potency photosensitiser-antibody and Future Directions, Chemical predictions from theory, Scientific to static and shock pressure loading, of foam, Proceedings of the Institution salt as coupling agent, Journal of Organic conjugates through application of dendron Reviews, 2017, 117, 11125-11138 reports, 2017, 7, 14367 Journal of Physics: Conference Series, of Mechanical Engineers Part M: Chemistry, 2017, 82, 12735-12739 multiplier technology, Bioconjugate 2017, 950, 42002 Journal of Engineering for the Chemistry, 2018, 29, 176-181 Davies GL, Govan J, Tekoriute R, Erdmann V, Lichmann BR, Zhao J, Maritime Environment, 2018, Gruber P, Carvalho F, Marques MPC, Serrano-Garćıa R, Nolan H, Farrell D, Simon RC, Kroutil W, Ward JM, Fletcher RE, Ling S, Slater B, Violations doi:10.1177/1475090217750442 O’Sullivan B, Subrizi F, Dobrijevic D, Chutia A, Gibson EK, Farrow MR, Hajatpourc O, Gun’ko YK, Magnetically Hailes HC, Rother D, Enzymatic and of Löwenstein’s rule in zeolites, Ward J, Hailes HC, Fernandes P, Wells PP, Scanlon DO, Dimitratos N, activated adhesives: towards on- chemoenzymatic 3-step cascades Chemical Science, 2017, 8, 7483-7490 Ghosh S, Hollingsworth N, Warren Wohlgemuth R, Baganz F, Szita N, Willock DJ, Catlow CRA, The adsorption demand magnetic triggering of for the synthesis of stereochemically M, Holt KB, Hogarth G, Electrocatalytic Enzymatic synthesis of chiral amino- Fogarty R, Matthews R, Ashworth C, 2 of Cu on the CeO2(110) surface, selected polymerisation reactions, complementary trisubstituted proton reduction by [Fe(CO)2(κ - alcohols by coupling transketolase Brandt A, Palgrave RG, Bourne R, Physical Chemistry Chemical Physics, Chemical Science, 2017, 8, 7758-7764 tetrahydroisoquinolines, Angewandte dppv)(κ1-SAr)2] (dppv = cis-1,2- and transaminase-catalyzed reactions 2017, 19, 27191-27203 Chemie (International ed. in English), Hoogerstraete T, Hunt P, Lovelock K, bis(diphenylphosphino)ethylene; Ar = in a cascading continuous-flow De Santis E, Alkassem H, Lamarre B, Experimental validation of calculated 2017, 56, 12503-12507 C6F5, C6H5, C6H4CH3-p), Polyhedron, microreactor system, Biotechnology Coates CS, Makepeace JW, Seel AG, Faruqui N, Bella A, Noble JE, Micale N, atomic charges in ionic liquids, Journal 2017, 137, 140-146 and Bioengineering, 2018, 115, 586-596 Baise M, Slater B, Goodwin AL, Ray S, Burns JR, Yon AR, Hoogenboom Escher SGET, Lazauskas T, of Chemical Physics, 2018, 148, 193817 Synthesis, PtS-type structure, and BW, Ryadnov MG, Antimicrobial Zwijnenburg MA, Woodley SM, Synthesis Gibson SM, Macmillan D, Sheppard TD, Gubó R, Yim CM, Allan M, Pang CL, Fogarty RM, Matthews RP, Clough MT, anomalous mechanics of the Cd(CN)2 peptide capsids of de novo design, target structures for alkaline earth Synthesis of Boronocysteine, Synlett, Berkó A, Thornton G, Variation of SMSI Ashworth CR, Brandt-Talbot A, Corbett precursor Cd(NH3)2[Cd(CN)4], Dalton Nature Communications, 2017, 8, 1 oxide clusters, Inorganics, 2018, 6, 29 2018, 29, 314-317 with the Au:Pd ratio of bimetallic PJ, Palgrave RG, Bourne RA, Transactions, 2018, 47, 7263-7271 nanoparticles on TiO2(110), Topics in Decarolis D, Lezcano-Gonzalez I, Evans GP, Powell MJ, Johnson ID, Chamberlain TW, Vander Hoogerstraete Gładysiak A, Nguyen T, Anderson S, Catalysis, 2018, 61, 308-317 Collado-Fregoso E, Hood SN, Shoaee Gianolio D, Beale AM, Effect of particle Howard DP, Bauer D, Darr JA, Parkin IP, T, Thompson PBJ, Hunt PA, Besley NA, Boyd P, Palgrave RG, Bacsa J, Smit B, S, Schroeder BC, McCulloch I, Kassal I, size and support type on Pd catalysts Room temperature vanadium dioxide– Lovelock KRJ, NEXAFS spectroscopy Rosseinsky M, Stylianou K, Shedding Halliwell LM, Jathoul AP, Bate JP, Neher D, Durrant JR, Intercalated for 1,3-butadiene hydrogenation, carbon nanotube gas sensors made of ionic liquids: experiments versus light on the protonation states and Worthy HL, Anderson JC, Jones DD, vs nonintercalated morphologies in Topics in Catalysis, 2018, 61, 162-174 via continuous hydrothermal flow calculations, Physical Chemistry Chemical location of protonated n-atoms of adenine Murray JAH, ΔFlucs: Brighter Photinus donor-acceptor bulk heterojunction synthesis, Sensors and Actuators, B, Physics, 2017, 19, 31156-67311 in metal-organic frameworks, Inorganic pyralis firefly luciferases identified solar cells: PBTTT:Fullerene charge Diez SJ, Eddleston MD, Arhangelskis M, 2017, 255, 1119 Chemistry, 2018, 57, 1888-1900 by surveying consecutive single generation and recombination Milbled M, Müller MJ, Bond AD, Bučar Forte N, Livanos M, Miranda E, Morais amino acid deletion mutations in a revisited, Journal of Physical DK, Jones W, Crystallization at solvent Fernandez Garcia CA, Grefenstette NM, M, Yang X, Rajkumar VS, Chester KA, Goel H, Ling S, Ellis BN, Taconi A, thermostable variant, Biotechnology Chemistry Letters, 2017, 8, 4061-4068 interfaces enables access to a variety Powner MW, Selective aqueous Chudasama V, Baker JR, Tuning the Slater B, Rai N, Predicting vapor liquid and Bioengineering, 2018, 115, 50-59 of cocrystal polymorphs and hydrates, acetylation controls the hydrolytic stability of next generation equilibria using density functional Comitani F, Gervasio FL, Exploring Crystal Growth and Design, 2018, 18, photoanomerization of α-cytidine-5′- maleimide cross-linkers enables theory: A case study of argon, Journal Handoko AD, Liew L-L, Lin M, Sankar G, cryptic pockets formation in targets 3263-3268 phosphate, Chemical Communications, access to albumin-antibody fragment of Chemical Physics, 2018, 148, 224501 Du Y, Su H, Dong Z, Goh GKL, of pharmaceutical interest with swish, 2018, 54, 4850-4853 conjugates and tri-scFvs, Bioconjugate Elucidation of thermally induced internal Journal of Chemical Theory and Dixon SC, Jiamprasertboon A, Carmalt Chemistry, 2018, 29, 486-492 Gómez-Hortigüela L, Corà F, Catlow CRA, porosity in zinc oxide nanorods, Nano Computation, 2018, 14, 3321-3331 CJ, Parkin IP, Luminescence behaviour Fernandez M, Javaid F, Chudasama V, Modeling hydrocarbon oxidation Research, 2018, 11, 2412-2423

and deposition of Sc2O3 thin films Advances in targeting the folate receptor Gadipelli S, Li Z, Zhao T, Yang Y, mechanisms catalyzed by microporous Connolly ET, Reeves P, Boldrin D, from scandium(III) acetylacetonate in the treatment/imaging of cancers, Yildirim T, Guo ZX, Graphitic materials, Modelling and Simulation Harrison G, Katsiev K, Alsalik Y, Wills AS, Synthesis, structure and at ambient pressure, Applied Physics Chemical Science, 2017, 9, 790-810 nanostructures in a porous carbon in the Science of Micro- and Meso- Thornton G, Idriss H, Switch in magnetism of the new S=1 kagome Letters, 2018, 112, 221902 framework significantly enhance the Porous Materials, 2018, 265-295 photocatalytic reaction selectivity: The Fernández-García C, Coggins AJ, magnet NH4Ni2.5V2O7(OH)2.H2O, electrocatalytic oxygen evolution, effect of oxygen partial pressure on Journal of Physics: Condensed Matter, Dixon SC, Manzi JA, Powell MJ, Powner MW, A chemist’s perspective on Journal of Materials Chemistry A, Gonzalez-Lopez J, Cockcroft JK, carbon-carbon bond dissociation over 2017, 30, 025801 Carmalt CJ, Parkin IP, Reflective silver the role of phosphorus at the origins of 2017, 5, 24686-24694 Fernandez-Gonzalez A, Jimenez A, hydroxylated TiO₂(1 1 0) surfaces, thin film electrodes from commercial life, Life, 2017, 7, 31 Grau-Crespo R, Crystal structure Journal of Catalysis, 2018, 363, 117-127 Coomber CE, Benhamou L, Bučar D-K, silver(I) triflate via aerosol-assisted Gadipelli S, Lu Y, Skipper NT, Yildirim of cobalt hydroxide carbonate Fielding HH, Molecular movies filmed at Smith PD, Porter MJ, Sheppard TD, chemical vapor deposition, ACS Applied T, Guo ZX, Design of hyperporous Co2CO3(OH)2: density functional theory Hassan IA, Sathasivam S, Nair SP, Silver-Free Palladium catalyzed Nano Materials, 2018, 1, 3724-3732 conical intersections, Science, 2018, graphene networks and their application and X-ray diffraction investigation, Acta Carmalt CJ, Antimicrobial properties C(sp3)-H arylation of saturated bicyclic 361, 30-31 in solid-amine based carbon capture Cryst B, 2017, B73, 868-873 of copper-doped ZnO coatings under amine scaffolds, Journal of Organic Domigan LJ, Ashmead H, Dimartino S, systems, Journal of Materials Chemistry darkness and white light illumination, Chemistry, 2018, 83, 2495-2503 Malmstrom J, Grant Pearce F, Blunt M, Fielding HH, Worth GA, Using time- A, 2017, 5, 17833-17840 Greenaway AG, Lezcano-Gonzalez I, ACS Omega, 2017, 2, 4556-4562 Williams DE, Gerrard JA, Formation of resolved photoelectron spectroscopy Agote-Aran M, Gibson EK, Odarchenko Dakka J, Turilli M, Wright DW, Zasada supramolecular protein structures on to unravel the electronic relaxation Ganose AM, Gannon L, Fabrizi F, Y, Beale AM, Operando Spectroscopic Hayes TOP, Slater B, Horan RAJ, dynamics of photoexcited molecules, SJ, Balasubramanian V, Wan S, gold surfaces, Biointerphases, 2017, Nowell H, Barnett SA, Lei H, Zhu X, Studies of Cu–SSZ-13 for NH3–SCR Radigois M, Wilden JD, A novel Chemical Society Reviews, 2017, 47, Coveney PV, Jha S, High-throughput 12, 04E405 Petrovic C, Scanlon DO, Hoesch M, deNOx Investigates the Role of NH3 sulfonamide non-classical carbenoid: binding affinity calculations at 309-321 Local corrugation and persistent in Observed Cu(II) Reduction at High a mechanistic study for the synthesis extreme scales, arXiv preprint, 2017, Drosos C, Jia C, Mathew S, Palgrave RG, charge density wave in ZrTe3 with Ni NO Conversions, Topics in Catalysis, of enediynes, Organic & Biomolecular arXiv:1712.09168v4 Moss B, Kafizas A, Vernardou D, Filho PIO, Potter DB, Powell MJ, intercalation, Physical Review B, 2018, 2018, 61, 175-182 Chemistry, 2017, 15, 9895-9902 Aerosol-assisted chemical vapor Carmalt CJ, Angeli P, Fraga ES, 97, 155103 Probability density functions for Daniels LM, Savvin SN, Pitcher MJ, deposition of V2O5 cathodes with high Greene MK, Richards DA, Nogueira Hazael R, Fitzmaurice BC, Foglia F, Dyer MS, Claridge JB, Ling S, Slater B, rate capabilities for magnesium-ion droplet sizing in aerosol transport Ganose AM, Matsumoto S, Buckeridge JCF, Campbell K, Smyth P, Fernández Appleby-Thomas GJ, McMillan PF, Corà F, Alaria J, Rosseinsky MJ, batteries, Journal of Power Sources, modelling, Computer Aided Chemical J, Scanlon DO, Defect engineering of M, Scott CJ, Chudasama V, Forming Bacterial survival following shock Phonon-glass electron-crystal behaviour 2018, 384, 355-359 Engineering, 2017, 40, 2245-2250 earth-abundant solar absorbers BiSI next-generation antibody–nanoparticle compression in the GigaPascal range, by A site disorder in n-type thermoelectric and BiSeI, Chemistry of Materials, conjugates through the oriented installation Icarus, 2017, 293, 43282 oxides, Energy and Environmental 2018, 30, 3827-3835 of non-engineered antibody fragments, Science, 2017, 10, 1917-1922 Chemical Science, 2018, 9, 79-87

30 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 31 PUBLICATIONS PUBLICATIONS

Henley A, Diveky ME, Patel AM, Jabłońska M, Wolkenar B, Beale AM, Knapp CE, Chemin JB, Douglas SP, Lichman BR, Sula A, Pesnot T, Hailes HC, Malinowski R, Volpe G, Parkin IP, McInnes SJP, Macdonald TJ, Parkin IP, Parkes MA, Anderson JC, Fielding HH, Pischinger S, Palkovits R, Comparison Abessolo Ondo D, Guillot J, Choquet Ward J, Keep NH, Structural evidence Volpe G, Dynamic control of particle Nann T, Voelcker NH, Electrospun

Electronic structure and dynamics of of Cu-Mg-Al-Ox and Cu/Al2O3 in selective P, Boscher ND, Room-temperature for the dopamine-first mechanism of deposition in evaporating droplets composites of polycaprolactone and

torsion-locked photoactive yellow protein catalytic oxidation of ammonia (NH3-SCO), plasma-assisted inkjet printing of highly norcoclaurine synthase, Biochemistry, by an external point source of vapor, porous silicon nanoparticles for the chromophores, Physical Chemistry Catalysis Communications, 2018, 110, conductive silver on paper, Advanced 2017, 56, 5247-5277 Journal of Physical Chemistry Letters, tunable delivery of small therapeutic Chemical Physics, 2017, 19, 31572-31580 43348 Materials Technologies, 2018, 3, 1700326 2018, 9, 659-664 molecules, Nanomaterials, 2018, 8, 205 Lin C, Cheng W, Guo Z, Chai G, Hovan L, Oleinikovas V, Yalinca H, Jackson RJ, Patrick PS, Page K, Powell Knapp CE, Dyer C, Chadwick NP, Zhang H, Exceptional thermoelectric Mancardi G, Hernandez Tamargo CE, Meier CB, Sprick RS, Monti A, Guiglion Kryshtafovych A, Saladino G, Gervasio FL, MJ, Lythgoe MF, Miodownik MA, Parkin Hazael R, Carmalt CJ, Metal performance of a “star-like” SnSe Di Tommaso D, de Leeuw NH, Detection P, Lee J-SM, Zwijnenburg MA, Cooper AI, Assessment of the model refinement IP, Carmalt CJ, Kalber TL, Bear JC, β-diketoiminate precursor use in aerosol nanotube with ultra-low thermal of Posner’s clusters during calcium Structure-property relationships for category in CASP12, Proteins, 2018, 86, Chemically treated 3D printed polymer assisted chemical vapour deposition conductivity and a high power factor, phosphate nucleation: a molecular covalent triazine-based frameworks: 152-167 scaffolds for biomineral formation, ACS of gallium- and aluminium-doped zinc Physical Chemistry Chemical Physics, dynamics study, Journal of Materials The effect of spacer length on Omega, 2018, 3, 4342-4351 oxide, Polyhedron, 2017, 140, 35-41 2017, 19, 2347-23253 Chemistry B, 2017, 5, 7274-7284 photocatalytic hydrogen evolution from Howard DP, Marchand P, Carmalt CJ, water, Polymer, 2017, 126, 283-290 Parkin IP, Darr JA, Si-doped zinc Jiamprasertboon A, Powell MJ, Dixon SC, Ladva S, Travis W, Quesada-Cabrera Lin R, Li Z, Abou El Amaiem DI, Zhang B, Mangan TP, Salzmann CG, Plane

oxide transparent conducting oxides; Quesada-Cabrera R, Alotaibi AM, Lu Y, R, Rosillo-Lopez M, Afandi A, Li Y, Brett DJL, He G, Parkin IP, A general JMC, Murray BJ, CO2 ice structure Mellor A, Humphrey D, Yim CM, nanoparticle optimisation, scale-up and Zhuang A, Sathasivam S, Siritanon T, Jackman RB, Bear J, Parkin IP, method for boosting the supercapacitor and density under Martian atmospheric Pang CL, Idriss H, Thornton G, Direct thin film deposition,Journal of Materials Parkin IP, Carmalt CJ, Photocatalytic Blackman C, Salzmann C, Palgrave RG, performance of graphitic carbon nitride/ conditions, Icarus, 2017, 294, 201-208 visualization of au atoms bound to TiO2 Chemistry C, 2017, 5, 8796-8801 and electrically conductive transparent Conformal films of graphitic carbon nitride graphene hybrids, Journal of Materials (110) O-vacancies, Journal of Physical Cl-doped ZnO thin films: Via aerosol- deposited at room temperature: A method Chemistry A, 2017, 5, 25545-25554 Marson CM, Koo CY, Reyes-Corral M, Chemistry C, 2017, 121, 24721-24725 Huang Y-Z, Zhang H, Lin C-S, Cheng assisted chemical vapour deposition, for construction of heterojunction devices, Olmos Y, Tavares IA, Linardopoulos

W-D, Guo Z, Chai G-L, PbGa2GeS6: Journal of Materials Chemistry A, Nanoscale, 2017, 9, 16586-16590 Logsdail AJ, Downing CA, Catlow CRA, S, Tutt A, Morris ADH, Targeting TAO Meng Q, Liu J, Weng X, Sun P, Darr JA, An Infrared Nonlinear Optical Material 2018, 6, 12682-12692 Sokol AA, Magnetic coupling constants kinases using a new inhibitor compound Wu Z, In situ valence modification of Synthesized by an Intermediate- Lazauskas T, Sokol AA, Buckeridge J, for MnO as calculated using hybrid delays mitosis and induces mitotic cell Pd/NiO nano-catalysts in supercritical Temperature Self-Fluxing Method, Crystal Johnson ID, Ashton TE, Blagovidova E, Catlow CRA, Escher SGET, Farrow MR, density functional theory, Chemical death in centrosome amplified breast water towards toluene oxidation, Growth and Design, 2018, 18, 1162-1167 Smales GJ, Lübke M, Baker PJ, Corr Mora-Fonz D, Blum VW, Phaahla TM, Physics Letters, 2017, 690, 47-53 cells, Molecular Cancer Therapeutics, Catalysis Science and Technology, SA, Darr JA, Mechanistic insights of Chauke HR, Ngoepe PE, Woodley SM, 2017, 16, 2351 2018, 8, 1858-1866 Hwang G, Allan E, Patir A, Nair SP, Loynachan CN, Thomas MR, Gray ER, Li+ diffusion within doped LiFePO4 Thermodynamically accessible titanium Parkin IP, Photobactericidal activity from Muon Spectroscopy, Scientific clusters TiN, N = 2-32, Physical Richards DA, Kim J, Miller BS, Brookes Marson CM, Promontorio R, Richard J-A, Merte LR, Jorgensen MS, Pussi K, of dual dyes encapsulated in silicone Reports, 2018, 8, 4114-4114 Chemistry Chemical Physics, 2018, 20, JC, Agarwal S, Chudasama V, Late-stage fluorination of bridged Gustafson J, Shipilin M, Schaefer A, enhanced by silver nanoparticles, ACS 13962-13973 McKendry RA, Stevens MM, Platinum scaffolds: chemoselective generation Zhang C, Rawle J, Nicklin C, Thornton Omega, 2018, 3, 6779-6789 Jorge AB, Dedigama I, Miller TS, nanocatalyst amplification: redefining of a CHF group at three positions of the G, Lindsay R, Hammer B, Lundgren E, Shearing P, Brett DJL, McMillan PF, Lechner H, Soriano P, Poschner the gold standard for lateral flow bicyclo[3.3.1]nonane system, Tetrahedron Structure of the SnO2(110)-(4 x 1) Hwang G, Patir A, Allan E, Nair S, Carbon nitride materials as efficient R, Hailes HC, Ward JM, Kroutil W, immunoassays with ultrabroad dynamic Letters, 2018, 59, 1226-1229 Surface, Physical Review Letters, Parkin IP, Superhydrophobic and white catalyst supports for proton exchange Library of norcoclaurine synthases range, ACS Nano, 2018, 12, 279-288 2017, 119, 96102 light-activated bactericidal surface membrane water electrolyzers, and their immobilization for biocatalytic Matras D, Jacques SDM, Godini HR, through a simple coating, ACS Applied Nanomaterials, 2018, 8, 432 transformations, Biotechnology Journal, Luo H, Lu Y, Yin S, Huang S, Song J, Khadivi M, Drnec J, Poulain A, Cernik RJ, Miller TS, d’Aleo A, Suter T, Aliev AE, Materials and Interfaces, 2017, 9, 2017, 13, 1700542 Chen F, Chen F, Carmalt CJ, Parkin IP, Beale AM, Real-Time Operando Sella A, Mcmillan PF, Pharaoh’s 29002-29009 Joseph A, Contini C, Cecchin D, Nyberg Robust platform for water harvesting and Diffraction Imaging of La-Sr/CaO during Serpents: New Insights into a Classic S, Ruiz-Perez L, Gaitzsch J, Fullstone Leventis A, Royakkers J, Rapidis AG, directional transport, Journal of Materials the Oxidative Coupling of Methane, Carbon Nitride Material, Zeitschrift fur Hwang GB, Page K, Patir A, Nair SP, G, Tian X, Azizi J, Preston J, Volpe G, Goodeal N, Corpinot MK, Frost JM, Chemistry A, 2018, 6, 5635-5643 Journal of Physical Chemistry C, 2018, Anorganische und Allgemeine Chemie, Allan E, Parkin IP, The anti-biofouling Battaglia G, Chemotactic synthetic Bučar D-K, Blunt MO, Cacialli F, 122, 2221-2230 2017, 643, 1572-1580 properties of superhydrophobic vesicles: Design and applications in Bronstein H, Highly luminescent Lübke M, Sumboja A, McCafferty L, surfaces are short-lived, ACS Nano, blood-brain barrier crossing, Science encapsulated narrow bandgap Armer CF, Handoko AD, Du Y, McColl Maughan AE, Ganose AM, Almaker MA, Motherwell WB, Moreno RB, Pavlakos I, 2018, 12, 6050-6058 Advances, 2017, 3, e1700362-e1700362 polymers based on diketopyrrolopyrrole, K, Cora F, Brett D, Liu Z, Darr JA, Scanlon DO, Neilson JR, Tolerance Arendorf JRT, Arif T, Tizzard GJ, Coles

Journal of the American Chemical Transition-metal-doped alpha-MnO2 factor and cooperative tilting effects SJ, Aliev AE, Noncovalent interactions Ingram DJ, Headen TF, Skipper NT, Karaluka V, Murata K, Masuda S, Society, 2018, 140, 1622-1626 nanorods as bifunctional catalysts for in vacancy-ordered double perovskite of π systems with sulfur - the atomic Callear SK, Billing M, Sella A, Shiramatsu Y, Kawamoto T, Hailes HC, efficient oxygen reduction and evolution halides, Chemistry of Materials, 2018, chameleon of molecular recognition, Dihydrogen: Vs. hydrogen bonding in Sheppard TD, Kamimura A, Li B, Wang X, Wu X, He G, Xu R, Lu X, reactions, ChemistrySelect, 2018, 3, 30, 3909-3919 Angewandte Chemie (International Ed. the solvation of ammonia borane by Development of a microwave- Wang FR, Parkin IP, Phase and 2613-2622 in English), 2018, 57, 1193-1198 tetrahydrofuran and liquid ammonia, assisted sustainable conversion of morphological control of MoO3-x Maughan AE, Ganose AM, Candia AM, Physical Chemistry Chemical Physics, furfural hydrazones to functionalised nanostructures for efficient cancer Lucaioli P, Nauha E, Gimondi I, Price LS, Granger JT, Scanlon DO, Neilson JR, Muthiah A, Baikie T, Shukla S, Ball S, 2018, 20, 12200-12209 phthalimides in ionic liquids, RSC theragnosis therapy, Nanoscale, 2017, Guo R, Iuzzolino L, Singh I, Salvalaglio M, Anharmonicity and octahedral tilting Copley M, Hyde TI, Du Y, Sankar G, Advances, 2018, 8, 22617-22624 9, 11012-11016 Price SL, Blagden N, Serendipitous in hybrid vacancy-ordered double Aravindan V, Srinivasan M, Ex situ Ishida S, Sheppard T, Nishikata T, Site isolation of a disappearing conformational perovskites, Chemistry of Materials, XAS investigation of effect of binders selectivities in fluorination,Tetrahedron Khan MMM, Alam MM, Ghosh S, Li W, Xu R, Ling M, He G, Ag-Ag2S/ polymorph of succinic acid challenges 2018, 30, 472-483 on electrochemical performance of Letters, 2018, 59, 789-798 Rahaman A, Tocher DA, Richmond reduced graphene oxide hybrids used computational polymorph prediction, Li2Fe(SO4)2 cathode, Journal of Materials MG, Kabir SE, Roesky HW, Reactions as long-wave UV radiation emitting CrystEngComm, 2018, 20, 3971-3977 McColl K, Johnson I, Corà F, Chemistry A, 2017, 5, 19963-19971 Luzzolino L, McCabe P, Price SL, Thermodynamics and defect chemistry of Ru3(CO)10(m-dppm) with Ph3GeH: nanocomposites, Optical Materials, Brandenburg JG, Crystal structure Ge-H and Ge-C bond cleavage in 2017, 72, 529-532 Macmillan D, Going Round in Circles of substitutional and interstitial cation Nadeem IM, Harrison GT, Wilson A, prediction of flexible pharmaceutical-like with N -> S Acyl Transfer, Synlett, doping in layered -V O , Physical Pang CL, Zegenhagen J, Thornton G, Ph3GeH at triruthenium clusters, α 2 5 molecules: Density functional tight- Journal of Organometallic Chemistry, Li Z, Gadipelli S, Yang Y, Guo Z, Design 2017, 28, 1517-1529 Chemistry Chemical Physics, 2018, 20, Bridging hydroxyls on anatase binding as an intermediate optimization 2017, 843, 75-86 of 3D graphene-oxide spheres and their 15002-15006 tio2(101) by water dissociation in method and for free energy estimation, derived hierarchical porous structures oxygen vacancies, Journal of Physical Faraday Discussions, 2018, 10.1039/ for high performance supercapacitors, Chemistry B, 2018, 122, 834-839 C8FD00010G Small, 2017, 13, 1702474

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Nadeem IM, Treacy JPW, Selcuk S, Patra SG, De S, Tocher DA, Datta D, Potter DB, Powell MJ, Parkin IP, Quesada-Gonzalez M, Williamson BAD, Ruiz-Pérez L, Hurley C, Tomás S, Sella A, Rethinking practical classes, Torrelles X, Hussain H, Wilson A, Grinter Photophysics of a mono-nuclear Carmalt CJ, Aluminium/gallium, indium/ Sotelo-Vazquez C, Kafizas A, Boscher Battaglia G, Separating extreme pH Nature Reviews Chemistry, 2017, 1, 90 DC, Cabailh G, Bikondoa O, Nicklin C, tetrahedral silver(I)N4 core and its gallium, and aluminium/indium co-doped ND, Quesada-Cabrera R, Scanlon gradients using amphiphilic copolymer Selloni A, Zegenhagen J, Lindsay R, copper(I) analog, Inorganica Chimica ZnO thin films deposited via aerosol DO, Carmalt CJ, Parkin IP, Deeper membranes, ChemPhysChem, 2018, Seo DH, Batmunkh M, Fang J, Murdock Thornton G, Water dissociates at Acta, 2018, 471, 649-657 assisted CVD, Journal of Materials Understanding of Interstitial Boron-Doped 19, 1987-1989 AT, Yick S, Han Z, Shearer CJ, the aqueous interface with reduced Chemistry C, 2018, 6, 588-597 Anatase Thin Films as A Multifunctional Macdonald TJ, Lawn M, Bendavid A, Patronis A, Richardson RA, Rzepa HS, Arkhipenko S, Wan E, Shapter JG, Ken Ostrikov K, Ambient anatase TiO2 (101), Journal of Physical Layer Through Theory and Experiment, Chemistry Letters, 2018, 9, 3131-3136 Schmieschek S, Wylie BJN, Nash RW, Potter ME, McColl K, Corà F, Levy AB, Journal of Physical Chemistry C, 2018, Sabatini MT, Karaluka V, Whiting A, air synthesis of multi-layer CVD graphene Coveney PV, Modeling patient-specific Raja R, Theoretical insights into the 122, 714-726 Sheppard TD, An Accessible method films for low-cost, efficient counter Newcombe J, Chatzidaki A, Sheppard TD, magnetic drug targeting within the nature of synergistic enhancement in for DFT calculation of 11B nmr shifts of electrode material in dye-sensitized Topf M, Millar NS, Diversity of nicotinic intracranial vasculature, Frontiers in bimetallic CoTiAlPO-5 catalysts for Rahaman A, Lisensky GC, Tocher DA, organoboron compounds, Journal of solar cells, FlatChem, 2018, 8, 1 acetylcholine receptor positive allosteric Physiology, 2018, 9, 331 ammonia activation, Catalysis Science Richmond MG, Hogarth G, Nordlander E, Organic Chemistry, 2018, 83, 8020-8025 modulators revealed by mutagenesis and Technology, 2017, 7, 3474-3480 Synthesis and molecular structures of Shephard JJ, Slater B, Harvey P, Hart and a revised structural model, Molecular Pegg JT, Aparicio-Angles X, Storr M, the 52-electron triiron telluride clusters Sabatini MT, Boulton LT, Sheppard TD, M, Bull CL, Bramwell ST, Salzmann CG, de Leeuw NH, DFT plus U study of Powell MJ, Carmalt CJ, Aerosols: 3 2 Borate esters: Simple catalysts for Doping-induced disappearance of ice Pharmacology, 2018, 93, 128-140 [Fe3(CO)8(μ -Te)2(κ -diphosphine)] - the structures and properties of the A sustainable route to functional Electrochemical properties and activity the sustainable synthesis of complex II from water’s phase diagram, Nature Ng WH, Lu Y, Liu H, Carmalt CJ, actinide dioxides, Journal of Nuclear materials, Chemistry - A European as proton reduction catalysts, Journal amides, Science Advances, 2017, 3, Physics, 2018, 14, 629 Parkin IP, Kenyon AJ, Controlling and Materials, 2017, 492, 269-278 Journal, 2017, 23, 15543-15552 of Organometallic Chemistry, 2018, e1701028-e1701028 modelling the wetting properties of 867, 381-390 Gibson SM, D’Oyley JM, Higham JI, III-V semiconductor surfaces using Peltola E, Sainio S, Holt KB, Palomäki T, Powell MJ, Godfrey IJ, Quesada- Salvadori E, Luke N, Shaikh J, Sanders K, Laserna V, Aliev AE, re-entrant nanostructures, Scientific Koskinen J, Laurila T, Electrochemical Cabrera R, Malarde D, Teixeira D, Rasander M, Quirk JB, Wang T, Mathew Leventis A, Bronstein H, Kay C, Sheppard TD, Dihalohydration of Reports, 2018, 8, 3544 fouling of dopamine and recovery Emerich H, Palgrave RG, Carmalt CJ, S, Davies R, Palgrave RG, Moram MA, Clarke T, Ultra-fast spin-mixing in Alkynols: A versatile approach to of carbon electrodes, Analytical Parkin IP, Sankar G, Qualitative XANES Structure and lattice dynamics of a diketopyrrolopyrrole monomer / diverse halogenated molecules, Noy J-M, Friedrich A-K, Batten K, Chemistry, 2018, 90, 1408-1416 and XPS analysis of substrate effects the wide band gap semiconductors fullerene blend charge transfer state, European Journal of Organic Bhebhe MN, Busatto N, Batchelor in VO thin films: a route to improving Journal of Materials Chemistry A, Chemistry, 2018, 4018-4028 2 MgSiN2 and MgGeN2, Journal of RR, Kristanti A, Pei Y, Roth PJ, Para- Peveler WJ, Ben-Jaber S, Parkin IP, chemical vapour deposition synthetic Applied Physics, 2017, 122, 85705 2017, 5, 24335-24343 Fluoro postpolymerization chemistry of Nanoparticles in explosives detection methods?, Journal of Physical Sabatini M, Karaluka V, Lanigan RM, poly(pentafluorobenzyl methacrylate): – the state-of-the-art and future Chemistry C, 2017, 121, 20345-20352 Richings GW, Worth GA, Multi-state Sanchez-Perez C, Knapp CE, Colman Boulton LT, Badland M, Sheppard TD, modification with amines, thiols, and directions, Forensic Science, Medicine, non-adiabatic direct-dynamics on RH, Sotelo-Vazquez C, Oilunkaniemi Protecting‐group‐free amidation carbonylthiolates, Macromolecules, and Pathology, 2017, 13, 490-494 Powell MJ, Potter DB, Wilson RL, Darr JA, propagated diabatic potential energy R, Laitinen RS, Carmalt CJ, Accessing of amino acids using Lewis acid 2017, 50, 7028-7040 Parkin IP, Carmalt CJ, Scaling aerosol surfaces, Chemical Physics Letters, new 2D semiconductors with optical catalysts, Chemistry - A European Peveler WJ, Landis RF, Yazdani M, assisted chemical vapour deposition: 2017, 683, 606-612 band gap: Synthesis of iron-intercalated Journal, 2018, 24, 7033-7043 Osadchii DY, Olivos-Suarez AI, Day JW, Modi R, Carmalt CJ, Rosenberg Exploring the relationship between titanium diselenide thin films: Via LPCVD, Szecsenyi A, Li G, Nasalevich MA, WM, Rotello VM, A rapid and robust growth rate and film properties,Materials Riley J, Wang B, Woodhouse J, RSC Advances, 2018, 8, 22552-22558 Sabatini M, Karaluka V, Whiting A, Dugulan JA, Crespo PS, Hensen EJM, diagnostic for liver fibrosis using a and Design, 2017, 129, 116-124 Assmann M, Worth GA, Fielding HH, Rzepa H, Arkhipenko S, Batsanov Veber SL, Fedin MV, Sankar G, Pidko multichannel polymer sensor array, Unravelling the Role of an Aqueous Sanchez-Perez C, Knapp CE, A, Sheppard TD, Mechanistic insights EA, Gascon J, Isolated Fe sites in metal Advanced Materials, 2018, 30, 1800634 Price SD, Kimber H, Toscano J, The Environment on the Electronic Structure Karjalainen MM, Oilunkaniemi R, into boron-catalysed direct amidation organic frameworks catalyze the direct surface reactivity of acrylonitrile with and Ionisation of Phenol Using Carmalt CJ, Laitinen RS, Macrocycles reactions, Chemical Science, 2018, 9, conversion of methane to methanol, Peveler WJ, Noimark S, Al-Azawi H, oxygen atoms on an analogue of Photoelectron Spectroscopy, Journal containing 1,1’-ferrocenyldiselenolato 1058-1072 ACS Catalysis, 2018, 8, 5542-5548 Hwang GB, Crick CR, Allan E, Edel JB, interstellar dust grains, Monthly of Physical Chemistry Letters, 2018, 9, ligands on group 4 metallocenes, Dalton Ivanov AP, MacRobert AJ, Parkin IP, Notices of the Royal Astronomical 678-682 Transactions, 2018, 47, 5415-5421 Shi JL, Zhao X, Zhang L, Xue X, Guo Otto F, Chiang Y-C, Peláez D, Covalently attached anti-microbial Society, 2018, 476, 5332-5340 ZX, Gao Y, Li S, An oxidized magnetic

Accuracy of Potfit-based potential surfaces using BODIPY: Improving Robertson C, Worth GA, Modelling the Sari WP, Blackman C, Zhu Y, Covington J, Au single atom on doped TiO2(110) representations and its impact on efficiency and effectiveness,ACS Applied Price SL, Iuzzolino L, Reilly vibrationally mediated photo-dissociation Deposition of tungsten oxide and becomes a high performance CO the performance of (ML-)MCTDH, Materials & Interfaces, 2018, 10, 98-104 AM, McCabe P, Use of Crystal of acetylene, Physical Chemistry silver decorated tungsten oxide for oxidation catalyst due to the charge Chemical Physics, 2018, 509, 116-130 Structure Informatics for Defining Chemical Physics, 2017, 19, 29483-29497 use in oxygen gas sensing, 2017 IEEE effect, Journal of Materials Chemistry Ploszajski AR, Billing M, Nathanson AS, the Conformational Space Needed Sensors, 2017, 1 A, 2017, 5, 19316-19322 Palgrave RG, Sankar G, Breeson A, Vickers M, Bennington SM, Freeze-dried for Predicting Crystal Structures of Rosillo-Lopez M, Salzmann CG, Highly Lang GGK, Phase quantification by ammonia borane-polyethylene oxide Pharmaceutical Molecules, Journal of efficient heavy-metal extraction from Schmieschek S, Shamardin L, Silverwood IP, Arán MA, González IL, X-ray photoemission valence band composites: Phase behaviour and Chemical Theory and Computation, water with carboxylated graphene Frijters S, Kruger T, Schiller UD, Kroner A, Beale AM, QENS study of hydrogen release, International Journal of Harting J, Coveney PV, LB3D: A methane diffusion in Mo/H-ZSM-5 used analysis applied to mixed phase TiO2 2017, 13, 5163-5171 nanoflakes,RSC Advances, 2018, 8, powders, Applied Surface Science, Hydrogen Energy, 2018, 43, 5645-5656 11043-11050 parallel implementation of the Lattice- for the methane dehydroaromatisation 2017, 423, 205-209 Puurtinen TA, Toivanen JI, Mattila K, Boltzmann method for simulation reaction, AIP Conference Proceedings, Počkaj M, Meden A, Zabukovec Logar N, Hyvaluoma J, Nash RW, Coveney PV, Rosillo-Lopez M, Salzmann CG, Detailed of interacting amphiphilic fluids, 2018, 1969, 30002 Parkes MA, Crellin J, Henley A, Rangus M, Mali G, Lezcano-Gonzalez I, Timonen J, Coupling of lattice-Boltzmann Investigation into the Preparation Computer Physics Communications, Fielding HH, A photoelectron imaging Beale AM, Golobič A, Structural solvers with suspended particles using of Graphene Oxide by Dichromate 2017, 217, 149-161 Sinclair RC, Suter JL, Coveney PV, and quantum chemistry study of the investigations in pure-silica and Al- the MPI intercommunication framework, Oxidation, ChemistrySelect, 2018, 3, Graphene-Graphene Interactions: deprotonated indole anion, Physical ZSM-12 with MTEA or TEA cations, Advances in Engineering Software, 6972-6978 Schroeder BC, Kurosawa T, Fu T, Chiu Friction, Superlubricity, and Exfoliation, Chemistry Chemical Physics, 2018, 20, Microporous and Mesoporous 2017, 111, 52-57 Y-C, Mun J, Wang G-JN, Gu X, Shaw Advanced Materials, 2018, 30, 1705791 15543-15549 Materials, 2018, 263, 236-242 Rosu-Finsen A, Salzmann CG, L, Kneller JWE, Kreouzis T, Toney MF, Benchmarking acid and base dopants Bao Z, Taming charge transport Song J, Gao M, Zhao C, Lu Y, Huang Parmentier A, Andreani C, Romanelli G, Poduval RK, Noimark S, Colchester R, with respect to enabling the ice v in semiconducting polymers with L, Liu X, Carmalt CJ, Deng X, Parkin IP, Shephard JJ, Salzmann CG, Senesi R, Macdonald T, Parkin IP, Desjardins A, to XIII and ice VI to XV hydrogen- branched alkyl side chains, Advanced Large-Area Fabrication of Droplet Hydrogen mean force and anharmonicity Papakonstantinou I, Optical fiber laser ordering phase transitions, Journal of Functional Materials, 2017, 27, 1701973 Pancake Bouncing Surface and in polycrystalline and amorphous ice, ultrasound transmitter with electrospun Chemical Physics, 2018, 148, 244507 Control of Bouncing State, ACS Nano, Frontiers of Physics, 2018, 13, 136101 composite for minimally invasive medical 2017, 11, 9259-9267 imaging, Proc. SPIE 10415, 2017, 104150B

34 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 35 PUBLICATIONS PUBLICATIONS

Song J, Li S, Zhao C, Lu Y, Zhao D, Top I, Schläfer J, Binions R, Wang S, Sawada H, Han X, Zhou S, Wilbraham L, Berardo E, Turcani L, Wren MC, Lashley T, Årstad E, Zhang X, Zhi D, Sun L, Zhao Y, Tiwari Sung J, Roy T, Carmalt CJ, Deng X, Papakonstantinou I, Srimurugananthan Li S, Guo ZX, Kirkland AI, Warner JH, Jelfs K, Zwijnenburg MA, A high- Sander K, Large inter- and intra-case MK, Carmalt CJ, Parkin IP, Lu Y, Parkin IP, A superhydrophilic cement- S, Powell M, Parkin IP, Carmalt CJ, Preferential Pt nanocluster seeding throughput screening approach for the variability of first generation tau PET Super-durable, non-fluorinated coated mesh: an acid, alkali, and Abrahams I, The effect of alkali metal at grain boundary dislocations in optoelectronic properties of conjugated ligand binding in neurodegenerative superhydrophobic free-standing items,

organic reagent-free material for oil/ (Na, K) doping on thermochromic polycrystalline monolayer MoS2, ACS polymers, Journal of Chemical dementias, Acta Neuropathologica Journal of Materials Chemistry A,

water separation, Nanoscale, 2018, 10, properties of VO2 films,MRS Nano, 2018, 12, 5626-5636 Information and Modeling, 2018, Communications, 2018, 6, 34 2018, 6, 357-362 1920-1929 Advances, 2018, 3, 1863-1869 10.1021/acs.jcim.8b00256 Wang Z, Ganose AM, Niu C, Scanlon DO, Wright ZVF, McCarthy S, Dickman R, Zhao J, Lichman BR, Ward JM, Hailes HC, Song W, Brugge R, Theodorou IG, Tran H, Cunha AV, Shephard JJ, Shalit First-principles insights into tin-based Wilbraham L, Louis M, Alberga D, Reyes FE, Sanchez-Martinez S, Cryar One-pot chemoenzymatic synthesis Lim AL, Yang Y, Zhao T, Burgess CH, A, Hamm P, Jansen TLC, Salzmann CG, two-dimensional hybrid halide perovskites Brosseau A, Guillot R, Ito F, Labat A, Kilford I, Hall A, Takle AK, Topf M, of trolline and tetrahydroisoquinoline Johnson ID, Aguadero A, Shearing PR, 2D IR spectroscopy of high-pressure for photovoltaics, Journal of Materials F, Métivier R, Allain C, Ciofini I, Gonen T, Thalassinos K, Tabor AB, The analogues, Chemical Communications, Brett DJL, Xie F, Riley DJ, Enhancing phases of ice, Journal of Chemical Chemistry A, 2018, 6, 5652-5660 Revealing the origins of mechanically role of disulfide bond replacements in 2018, 54, 1323-1326 distorted metal-organic framework- Physics, 2017, 147, 144501 induced fluorescence changes in analogues of the tarantula toxin ProTx- derived ZnO as anode material for Wang Z, Udmark J, Börjesson K, organic molecular crystals, Advanced II and their effects on inhibition of the Zhao T, Gadipelli S, He G, Ward M, Tsionou MI, Knapp CE, Foley CA, Rodrigues R, Roffey A, Abrahamsson Do D, Zhang P, Guo Z, Tunable lithium storage by the addition of Ag2S Materials, 2018, 30, 1800817 voltage-gated sodium ion channel quantum dots, ACS Applied Materials Munteanu CR, Cakebread A, Imberti C, M, Nielsen MB, Moth-Poulsen K, Nav1.7, Journal of the American bifunctional activity of MnxCo3-xO4 and Interfaces, 2017, 9, 37823-37831 Eykyn TR, Young JD, Paterson BM, Evaluating dihydroazulene/ Wilding MC, Wilson M, Ribeiro MCC, Chemical Society, 2017, 139, 13063- nanocrystals decorated at carbon Blower PJ, Ma MT, Comparison of vinylheptafulvene photoswitches for Benmore CJ, Weber JKR, Alderman 13075 nanotubes for oxygen electrocatalysis, Sprick RS, Aitchison C, Berardo E, macrocyclic and acyclic chelators solar energy storage applications, OLG, Tamalonis A, Parise JB, The ChemSusChem, 2018, 11, 1295-1304 Turcani L, Wilbraham L, Alston BM, for gallium-68 radiolabelling, RSC ChemSusChem, 2017, 10, 2998-2998 structure of liquid alkali nitrates and Wu S, Tian S, Liu B, Tao H, Zhao Jelfs KE, Zwijnenburg MA, Cooper AI, Advances, 2017, 7, 49586-49599 nitrites, Physical Chemistry Chemical X, Palgrave RG, Sankar G, Parkin IP, Zhu Z, Cai X, Yi S, Chen J, Dai Y, Niu Maximising the hydrogen evolution Ward M, Rowley DM, Kinetics of Physics, 2017, 19, 21625-21638 Facile synthesis of mesoporous C, Guo Z, Xie M, Liu F, Cho J-H, Jia Y, Tsuchiya Y, Zhyvoloup A, Bakovic J, the BrO + HO2 reaction over the Zhang Z, multivalency-driven formation activity in organic photocatalysts by VO2 nanocrystals by a cotton- co-polymerisation, Journal of Materials Thomas N, Yi Kun Yu B, Das S, temperature range T = 246–314 K, Wilkins LC, Soltani Y, Lawson JR, template method and their enhanced of Te-based monolayer materials: Chemistry A, 2018, 6, 11994-12003 Orengo C, Newell C, Ward J, Saladino Physical Chemistry Chemical Physics, Slater B, Melen RL, Divergent thermochromic properties, Solar a combined first-principles and G, Comitani F, Gervasio FL, Malanchuk 2017, 19, 23345-23356 elementoboration: 1,3-haloboration Energy Materials and Solar Cells, experimental study, Physical Review Swallow JEN, Williamson BAD, OM, Khoruzhenko AI, Filonenko V, versus 1,1-carboboration of propargyl 2018, 176, 427-434 Letters, 2017, 119, 106101 Whittles TJ, Birkett M, Featherstone TJ, Peak-Chew SY, Skehel M, Gout I, Warzecha M, Guo R, M. Bhardwaj R, esters, Chemistry - A European Peng N, Abbott A, Farnworth M, Protein CoAlation and antioxidant Reutzel-Edens SM, Price SL, Lamprou Journal, 2018, 24, 7364-7368 Xie J, Shevlin SA, Ruan Q, Moniz SJA, Zhuang A, Liao R, Lu Y, Dixon SC, Cheetham KJ, Warren P, Scanlon DO, function of Coenzyme A in prokaryotic DA, Florence AJ, Direct observation Liu Y, Liu X, Li Y, Lau CC, Guo ZX, Jiamprasertboon A, Chen F, Dhanak VR, Veal TD, Self-compensation cells, Biochemical Journal, 2018, 475, of templated two-step nucleation Wilson M, Ribeiro MCC, Wilding MC, Tang J, Efficient visible light-driven Sathasivam S, Parkin IP, Carmalt CJ, in transparent conducting F-doped 1909-1937 mechanism during olanzapine hydrate Benmore C, Weber JKR, Alderman O, water oxidation and proton reduction Transforming a Simple Commercial formation, Crystal Growth & Design, Tamalonis A, Parise JB, Structure and Glue into Highly Robust SnO2, Advanced Functional Materials, by an ordered covalent triazine-based 2018, 28, 1701900 Veeravalli S, Karu K, Phillips IR, 2017, 17, 6382-6393 Liquid Fragility in Sodium Carbonate, framework, Energy & Environmental Superhydrophobic Surfaces via Shephard EA, A highly sensitive Journal of Physical Chemistry A, 2018, Science, 2018, 11, 1617-1624 Aerosol-Assisted Chemical Vapor Swiatkowska I, Mosselmans FW, liquid chromatography electrospray Weng X, Zhang Y, Bi F, Dong F, Wu Z, 122, 1071-1076 Deposition, ACS Applied Materials and Geraki T, Wyles CC, Maleszewski JJ, ionization mass spectrometry method Darr JA, Thermocatalytic syntheses of Xie Z, Sui Y, Buckeridge J, Sokol AA, Interfaces, 2017, 9, 42327-42335 Henckel J, Sampson B, Potter D, for quantification of TMA, TMAO and highly defective hybrid nano-catalysts Wilson RL, Simion CE, Blackman CS, Keal TW, Walsh A, Prediction of Osman I, Trousdale RT, Hart A, creatinine in mouse urine, MethodsX, for photocatalytic hydrogen evolution, Carmalt CJ, Stanoiu A, Di Maggio F, multiband luminescence due to Draper E, Archibald L, Nolan M, Synchrotron analysis of human organ 2017, 4, 310-319 Journal of Materials Chemistry A, Covington JA, The effect of film the gallium vacancy-oxygen defect Schweins R, Zwijnenburg MA, tissue exposed to implant material, 2017, 5, 23766-23775 thickness on the gas sensing complex in GaN, Applied Physics Sproules S, Adams D, Controlling

Journal of Trace Elements in Medicine Volpe G, Volpe G, The topography of properties of ultra-thin TiO2 films Letters, 2018, 112, 262104 photoconductivity in PBI films by and Biology, 2018, 46, 128-137 the environment alters the optimal Weng Z, Zhang X, Wu Y, Huo S, Jiang deposited by atomic layer deposition, supramolecular assembly, Chemistry - A search strategy for active particles, J, Liu W, He G, Liang Y, Wang H, Sensors, 2018, 18, 735 Xu H, Han X, Dai X, Liu W, Wu J, Zhu European Journal, 2018, 24, 4006-4010 Tanner EEL, Sokolov SV, Ngamchuea Proceedings of the National Academy Self-Cleaning Catalyst Electrodes J, Kim D, Zou G, Sablon KA, Sergeev

K, Palgrave RG, Compton RG, of Sciences, 2017, 114, 11350-11355 for Stabilized CO2 Reduction to Witman M, Ling S, Boyd P, Barthel S, A, Guo Z, Liu H, High Detectivity Hydrocarbons, Angewandte Chemie Haranczyk M, Slater B, Smit B, Quantifying the polymeric capping of and transparent few-layer MoS2 / nanoparticles with X-ray photoelectron Wakelam V, Bron E, Cazaux S, (International ed. in English), 2017, 56, Cutting materials in half: a graph theory glassy-graphene heterostructure spectroscopy, ChemPhysChem, 2018, Dulieu F, Gry C, Guillard P, Habart 13135-13139 approach for generating crystal surfaces photodetectors, Advanced Materials, 19, 1341-1343 E, Hornakaer L, Morisset S, Nyman and its prediction of 2D zeolites, ACS 2018, 30, 1706561 G, Pirronello V, Price SD, Valdivia V, Whittles TJ, Veal TD, Savory CN, Central Science, 2018, 4, 235-245 Taylor FH, Buckeridge J, Catlow CRA, Vidali G, Watanabe N, H₂ formation on Welch AW, de Souza Lucas FW, Zeinalipour-Yazdi C, Hargreaves J, Screening Divalent Metals for A- and interstellar dust grains: The viewpoints Gibbon JT, Birkett M, Potter RJ, Woodhouse JL, Assmann M, Parkes Catlow CRA, Low-T Mechanisms of Scanlon DO, Zakutayev A, Dhanak VR, MA, Grounds H, Pacman SJ, Anderson B-Site Dopants in LaFeO3, Chemistry of theory, experiments, models and Ammonia Synthesis on Co3Mo3N, of Materials, 2017, 29, 8147-8157 observations, Molecular Astrophysics, Core levels, band alignments, and JC, Worth GA, Fielding HH, Photoelectron Journal of Physical Chemistry C, 2018,

2017, 9, 1 valence-band states in CuSbS2 for spectroscopy of isolated luciferin and 122, 6078-6082 Tocher DA, Mahid Uddin K, Chowdhury solar cell applications, ACS Applied infraluciferin anions in vacuo: competing AH, Hossain K, Ghosh S, Richmond Walker T, Canales M, Noimark S, Page Materials and Interfaces, 2017, 9, photodetachment, photofragmentation Zhang X, Ding B, Cheng R, Dixon SC, MG, Kabir SE, Alkyne activation K, Parkin IP, Faull J, Bhatti M, Ciric L, 41916-41926 and internal conversion, Physical Lu Y, computational intelligence- and polyhedral reorganization in A Light-activated antimicrobial surface Chemistry Chemical Physics, 2017, 19, assisted understanding of nature- benzothiazolate-capped osmium is active against bacterial, viral and Wilbraham L, Adamo C, Ciofini I, 22711-22720 inspired superhydrophobic behavior, clusters on reaction with diethyl fungal organisms, Scientific Reports, Communication: Evaluating non- Advanced Science, 2018, 5, 1700520 acetylenedicarboxylate (DEAD) and 2017, 7, 15298 empirical double hybrid functionals ethyl propiolate, Dalton Transactions, for spin-state energetics in transition- 2017, 46, 13597-13609 metal complexes, Journal of Chemical Physics, 2018, 148, 41103

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Materials & Inorganic Organic & Chemical Biology Readers and Senior Lecturers: PhD Students: Professional Services Staff D.J. Caruana M. Agote Aran, K. Ahmad, A. Aina, Departmental Structure Chemistry Professors: D.M. Rowley M. Allan, A. Alotaibi, S. Almadhi, Computing Officers:

J.C. Anderson F. Ambroz, D. Amin, R. Argurio, D. Ladd Head of Department: Professors: Lecturers: E. Arstad S. Armenta Butt, C. Ash, K. Ashe, F. Otto C.J. Carmalt A. Beale M. Blunt H.C. Hailes S. Austin, C. Bahou, M. Baise, D. Bauer, L. Willoughby C. Blackman T. Clarke S. Howorka A. Bhartiya, A. Bhati, Y. Bian, M. Billing, Departmental Undergraduate C.J. Carmalt G. Volpe G. Boucher, S. Campos De Souza, Electronics Officer: Tutor/Deputy Head of Department A. B. Tabor F. Cora P. Canavelli, E. Campbell, C. Chang, T. Bernard (Teaching) C. M. Marson Marie Curie Fellow: C.R.A. Catlow J. Chapman, K. Chio, G. Christopoulou, D.W. Lewis T. Sheppard C. Estarellas EM Technician: J.A. Darr A. Clark, B. Colville, P. Cong, E. Connolly, Z.G. Guo S. Firth Readers and Senior Lecturers: C. Coomber, S. Coplowe, M. Corpinot, Deputy Head of Department P.F. Mcmillan RS Newton Fellow: J. R. Baker L. Cowen, M. Cross, E. Dann, B. Deng, (Administration): I. P. Parkin L. Rizzello Glassblower: V. Chudasama C. De Pace, S. Dhaliwal, M. Diallo, J. Cowley S.D. Price G. Sankar D. Macmillan S. Dixon, J. Donnelly, S. Douglas, A. Sella Senior Research Associates: Head of Physical Chemistry & M. Porter M. Parkes A. Dunbabin, M. Einorn, E. Ellis, Instrument Workshop Technician: T. Bridges Chemical Physics Section: Readers and Senior Lecturers: M. Powner L. Ruiz-Perez S. Escher, R. Evans, D. Farmer, H.H. Fielding J.K. Cockcroft J. Wilden M. Fernandez, R. Fletcher, C. Foden, Research Associates: Y. Fong, C. Footer, A. Forster, N. Forte, Teaching Laboratories Manager: Head of Materials and Inorganic R. Palgrave A. Philcox Lecturers: D. Cecchin I. Galdadas, A. Ganose, A. Gheorghiu, Chemistry Section: K. Bucar F. Comitani N. Goodeal, A. Groves, B. Guan, J. Guo, F. Cora Lecturers: Mass Spectrometry Manager: G-L. Davies K. Sander N D’amelio F. Habib, S. Halukeerthi, M. Hart, T. Hayes, K. Karu Head of Organic Chemistry & C. E. Knapp B. Schroeder L. Guan G. He, F. Heale, I. Heath-Apostolopoulos, Chemical Biology Section: A. Kuzmanic A. Henley, J. Herbert, C. Higgins, Q. Hou, Safety Officer: Research Fellow: A.B. Tabor EPSRC Doctoral Prize Fellow: M. Magon L. Hovan, G. Hwang, L. Iuzzolino, B. Kavanagh A. Taylor M. Sabatini S. Makarchuk C. Jacquot, R. Jakobsen, B. Janeiro, Head of Virtual Computational Y. Pei Ferraz, F. Javaid, W. Jee, A. King, Senior Teaching Laboratory Marie Curie Fellow: EPSRC Doctoral Prize Fellowship: Technician: Chemistry Section R. Dickman A. Poma S. Ladva, A. Lai, T. Lais, H. Lamber, G.A. Worth J. Faria Nogueira C. Pruteanu N. Laver, L. Leipold, W. Leung, A. Leventis, C. Medley

L. Rodriguez Arco E. Liatsi Douvitsa, D. Li, Ji. Li, Ju. Li, Principal Research Associate: NMR Manager and Senior Research Senior Instrument Technician, M. Rosillo-Lopez Y. Li, Z. Li, Z. Liu, C. Lopez Vazquez, Computational Chemistry A. Sokol Fellow: Buildings Manager: A. Aliev A. Rosu-Finsen R.C. Lourenco, Y. Lu, R. Lunn, C. Lynch, J. Nolan E. Scarpa Professors: Ramsay Memorial Fellow: D. Malarde, R. Malde, R. Malinowski, Senior Research Associate: P.V. Coveney C. Bakewell Y. Zhang G. Marchello, R. Marchington, S. Mathew, Storekeeper/Purchasing Officer: H. Allan S.L. Price X. Zhu G. Mattedi, S. McCarthy, K. McColl, T. Fields T. MacDonald B. Slater K. Mears, R. Mehta, T. Miao, M. Mistry, A. Maruani Research Associates: D. Scanlon I. Nadeem, A. Nazligul, J. Newcombe, Teaching Lab Technicians: J. Burns Teaching D. Allen S. Woodley Research Associates: S. Newgas, C. Noble Jesus, J. Nogueira, M. Corpinot N. Bagha G. Worth C. Nowicka-Dylag, D. Offenbartl-Stiegert, R. Di Maggio C. Fernandez Garcia Director of Postgraduate Studies: C. Gacki N. Omori, V. Oleinikovas, S. Pacman, S. Gadipelli S. Islam F. L. Gervasio D. Webb Readers and Senior Lecturers: Z. Pan, M. Panchal, Q. Parker, A. Patel, R.G. Bell R. Gaifulina V. Laserna Ayora M. Towner M. Patel, A. Patir, H. Philpott, S. Ponja, D.W. Lewis X. Han L. Maugeri Director of Undergraduate Studies: JC. Prime, J. Pritchard, P. Promdet, Workshop Technician: M. Zwijnenburg M. Isaacs D. Mendez Sanchez D. W. Lewis G. Pugh, M. Pumpianskii, Y. Qin, C. Qiu, T. Otten M. Radigois A. Jackson EngD Coordinator: M. Quesada Gonzalez, A. Rashidi, Marie Curie Fellow: D. Richards A. Giussani I. Lezcano Gonzalez Z. Du L. Richards, V. Ries, J. Riley, S. Roberts, S. Singh S. Ling E. Rubenstein, A Ruiz Gonzalez, Administrative Staff R. Spears Research Associates: Y. Odarchenko Postgraduate Taught Tutor: C. Savory, A. Schmidt, P. Seavill, Y. Xing Administration Assistant: R. Bradley K. Page C. Blackman M. Sener, J. Shaikh, A. Shamsabadi, H. Yu F. Hussain J. Buckeridge H. Patel Z. Sharif, J. Shin, D. Silvio Nunes, Undergraduate Admissions Tutor: D. Case M. Powell G. Smales, R. Smith, M. Sola Barrado, R. Guo K. Bucar Administration Assistant, UK J. Restivo Physical Chemistry G. Storey, H. Story, J. Strand, J. Strachan, F. Husseini A. Syed, S. Talewar, A. Tanner, F. Taylor, Catalysis Hub (Harwell Campus): S. Rogers Senior Teaching Fellow: T. Lazauskas Professors: D. Teixeira Gomez, H. Tinker, M. Trivedi, C. Anyika C. Sanchez-Perez S.E. Potts J. Mares Soler G. Battaglia J-H. Tsang, A. Van Haeften, O. Walker, H. Martin S. Sathasivam H. H. Fielding Teaching Fellows: A. Wall, Yi. Wang, Yu. Wang, O. Ware, Assistant Finance Administrator: S. Matam S. Shevlin F. L. Gervasio V. Hilbourne R. Westbrook, W. Whitehouse, N. Smith A. Patronis L. Wilbraham K. B. Holt A. Roffey O. Williams, I. Wilson, J. Woodhouse, R. Richardson M. Wilding S. D. Price K. Wu, X. Xia, Z. Xing, S. Xiong, Y. Xu, Crystal Structure Prediction Group M. Vassaux C. G. Salzmann M. Xue, M. Yang, Y. Yang, Y. Yao, Manager: S. Wan Senior Research Associate: G. Thornton M. Yilmaz, J. Yu, X. Zhang, J. Zhao, L. Price D. Wright M. Vickers A. S. Wills T. Zhao, L. Zhu S. Zasada Departmental Manager: Q. Yu E.A. Read

38 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 39 STAFF

EA to Head of Department, Senior Teaching & Learning Lead HR Officer and Marketing & Undergraduate Administrator: Call for stories If you have a story to share & would Communications Officer: M. Kelly be willing to write a piece for next N. Phillips years Newsletter, we would love to Emeritus Staff: hear from you. Finance Officer: M.H. Abraham L. Mulcahy J.E. Anderson R.J.H. Clark Please email: HR Administrator: [email protected] J. K. James A. G. Davies P. Day with subject heading Project Co-Ordinator UK Catalysis A. Deeming “Newsletter Story”. Hub (Harwell Campus): J.R.G. Evans J. Goodall C.R. Ganellin P.J. Garratt Project Manager & Scientific M. Johnson Administrator: W. Motherwell E. Lumley F. Pearce J.H. Ridd Research Administrator: B. Roberts Y. Moscou P. Smith D.A. Tocher Senior Teaching & Learning S. Walmsley Postgraduate Administrator: J. Butorac

Chemistry Department staff at this year’s graduation ceremony, Royal Festival Hall, 4 September 2018: from left to right: Dr Rob Palgrave, Dr Jeremy Cockcroft, Dr Caroline Knapp, Prof. Katherine Holt, Prof. Claire Carmalt, Dr Stephen Potts, Dr David Rowley, Prof. Ivan Parkin, Prof. Tom Sheppard & Dr Dewi Lewis. www.ucl.ac.uk/chemistry UCL Chemistry NEWSLETTER