UCL DEPARTMENT OF CHEMISTRY

UCL Chemistry NEWSLETTER

Contents Introduction by Head of Department 1. Introduction 2. Staff Highlights and News As I come towards the end of my first academic year as Head of Department it is a pleasure for me to introduce the 2017 newsletter. I hope this year has been a productive and enjoyable 3. Student Highlights and News year for you all as it has been for the department. There have been lots of exciting activities 4. Alumni Matters and awards, many of which you can read about in this newsletter. 5. Equalities, Diversity and We have had a number of arrivals and departures and hence some new appointments. We Inclusion had two retirements – Professor Julian Evans and Mrs Jill Maxwell both of whom contributed greatly to the department for many years and we wish them well in their retirement. 6. Research Highlights Dr Caroline Knapp has been appointed as a Lecturer in Molecular Inorganic Chemistry. 7. Grants and Awards Dr Gemma Davies joins us from the University of Warwick as a Lecturer in Materials Chemistry and Dr Anna Roffey from Kings College London as a Teaching Fellow. Dr Tom 8. Publications Macdonald will start a Ramsay Trust Fellowship in October. Dr Laura Fenner (Research Administrator) has moved to a position as School Research Facilitator in BEAMS and Dr 9. Staff Jorg Sassmannhausen has moved to the University of Westminster.

Research in the department continues to go from strength to strength. A few highlights include the excellent news that Professor Sally Price was elected as a Fellow of the Royal Society for her outstanding contributions to science. In addition, Dr Christoph Salzmann was awarded a prestigious ERC Consolidator Grant. An EPSRC grant led by Dr Abil Aliev, Introduction Prof. Ivan Parkin and Dr Matt Powner, has allowed the department to purchase a 700 MHz broadband cyroprobe and NMR spectrometer, which will be a highly versatile solution-phase Many thanks go to Nicola Phillips NMR, offering the largest selection of nuclei at the highest sensitivities. for organising this year’s newsletter and to Tracy Hankey at UCL Digital There have been a number of changes in the undergraduate curriculum this academic Media Services for her help. year, which has been led by Dr Katherine Holt, our Director of Teaching. A large redesign of the 3rd year laboratory courses took place to develop a more research-led approach We hope this newsletter gives a to teaching practical chemistry in place of just following recipes. We were delighted when flavour of the exciting chemistry and our dedicated technical team (Martyn Towner, Alan Philcox, Mike Parkes, David Webb, Phil family atmosphere achieved in the Hayes, Nitin Bagha, Crosby Medley and Claire Gacki, Helen Grounds and Debbie Allen) department. It is not an exhaustive were awarded the RSC Higher Education Technical Excellence Award. This was excellent document but can provide a number recognition of the hard work involved in restructuring the laboratory course, as well as testing of contact points to the wide all new experiments. In addition, a new skills course was introduced in the 1st year – which variety of activity that occurs in the aimed to prepare students for ‘life as a professional chemist’ and incorporated specific department. chemical skills as well as other transferable skills. The students took part in a large-scale citizen science research project measuring air pollution in London, aiming to understand the social context and chemical concepts behind the project. The excellence of this course, which was led by Professor Andrea Sella, was recognised by winning the Provost Award for Team Collaboration and Achievement in Teaching. Well done to all involved in #UCLChemAirPoll, as this involved the whole 1st year undergraduate class and many colleagues in the department.

I look forward to seeing many of you at the Lab Dinner this year.

Yours sincerely, Claire Carmalt

ChemUCL 2015 NEWSLETTER 2017 STAFF HIGHLIGHTS AND NEWS

NEW APPOINTMENTS gold and aluminium. Insightful ligand design is used to create metal complexes that will undergo reduction Academic Appointments following external treatment (typically heat) yielding highly conductive metallic features. Formulation of these precursors into inks with suitable characteristics, Gemma-Louise Davies in particular viscosity and low thermal conversion in Lecturer in Materials Science combination with inkjet printing facilitates application in Gemma-Louise joined the department a wide range of electronic devices. in July 2017 as a Lecturer in Materials Chemistry. She graduated from Trinity College Dublin (Ireland) with a Degree in Natural Sciences (Mod. Chemistry) and remained there to undertake a Teaching Appointments PhD in Materials Chemistry, working on novel routes to nanoscale imaging agents, under the supervision Anna Roffey of Prof. Yurii Gun’ko, which she was awarded in 2011. Analytical Chemistry Teaching Following a brief industry-supported Postdoctoral Fellow position, Gemma-Louise moved to the University of Anna joined the Department as a Oxford as a Postdoctoral research assistant for 2 years Teaching Fellow in May 2017. She in the group of Prof. Jason Davis, working closely with studied an MSci degree in Chemistry Profs Paul Beer and Stephen Faulkner on bifunctional at the University of Bristol (graduating 1H and 19F MRI contrast agents. In 2013, she joined 2007), and undertook her PhD at UCL the University of Warwick as a Global Research Fellow, under the supervision of Graeme Hogarth (graduating where she grew her independent research strands 2014). Her work was part of a large collaborative and group. EPSRC funded project, and involved the synthesis of inorganic molecular and nanoparticulate catalysts for Gemma-Louise’s research at UCL will focus on the CO2 reduction. In between these qualifications Anna design and development of nanostructured materials worked at the Royal Society of Chemistry and learnt for three main applications: i) to understand and some valuable lessons about the peer-review process. solve current healthcare challenges, with a focus on MRI contrast agents; ii) to overcome obstacles In 2014, Anna moved to Sweden to take a postdoctoral in important industrial processes, through the position at Chalmers University of Technology working exploration of novel functional nanostructures; and iii) with Kapser Moth-Poulsen on Molecular Solar Thermal to assess the fate of commercial nanomaterials in the (MOST) systems. There she focussed on the energy environment. Her work is highly interdisciplinary and release from the norbornadiene/quadricyclane system, collaborative, and she looks forward to forging new testing new catalysts and designing a MOST solar partnerships in UCL; she has been overwhelmed by energy conversion prototype device. the warm welcome she has already received. Gemma- Louise will also be President of the department’s In 2016, Anna returned to the UK to focus on teaching Chemical and Physical Society (CPS) in 2017-2018. matters at the fledgling chemistry department at King’s College London, where she lectured in Inorganic Chemistry. She was responsible for teaching Caroline Knapp undergraduate chemistry courses from foundation up Lecturer in Molecular to third year level, and led the department’s outreach Inorganic Chemistry activities, building on previous work as an Explainer at the Science Museum. Caroline joins us as a lecturer in Molecular Inorganic Chemistry from At UCL, aside from undergraduate teaching, Anna is September 2017. Many of you will helping to launch the new MSc in Applied Analytical know Caroline as she undertook Chemistry. She is also Green Champion and an Outreach her MSci and PhD studies here in representative - please see her if you are interested in Chemistry, UCL. She was also a Ramsay Memorial Spectroscopy in a Suitcase! Fellow and President of the department’s CPS (2016-17) before undertaking this new appointment. Her research aims are to develop molecular precursors using the least resistive metals of the periodic table: silver, copper,

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Vicky Hilborne Yael Moscou Teaching Fellow Research Administration Vicky Hilborne is a Teaching Fellow Officer in the Department of Chemistry. Yael joined the department in July Her areas of expertise are physical 2017 as the Research Administration chemistry applied to analytical and Officer. The Research Administration environmental chemistry. Vicky has Officer (RAO) is the key member of considerable experience in the design staff working in support of research and delivery of teaching and learning in higher education. activity including impact, knowledge transfer and Particular interests are developing integrated and studentships, and is responsible for the management blended learning in problem based learning with lectures of the department’s research grants and contracts, and practical-workshop based teaching. This includes from advising staff of available funding opportunities research informed teaching and developing research to submission of final reports. Yael has several years’ skills that are highly valued by graduate employers. research experience. Yael started as an editorial Vicky has a BSc (Hons) in Environmental Chemistry researcher, researching funding opportunities for from Edinburgh University. She gained her PhD in researchers worldwide before gradually moving up measurement of contaminant dispersion in ventilated to the role of Funding Operations Manager and finally indoor air and predictive model development at London as Postgraduate and Research Administrator in the South Bank University (LSBU) in 2012. During her Department of Chemistry at King’s College London. time at LSBU she also developed portable detectors of contaminants of drugs in drinks and airborne pollutants. Her research activities included detection and dispersion modelling of contaminants in water and air, from drugs in surface waters to hazardous gas emissions in nuclear UK Catalaysis HUB Appointments fuel reprocessing. Prior to LSBU she worked as a Food Health and Safety Scientist for Camden BRI (formerly Corinne Anyika Brewing Research International). Vicky is a Fellow of the Administrative Assistant Higher Education Academy and an active member of the Corinne joined the department in Royal Society of Chemistry where she has presented October 2016 and is a member of her work at associated conferences and workshops. the professional services team who provides general administrative support to the students and members of the UK Catalysis Hub. Professional Services Appointments

Farzana Hussain Departmental Administrative Scott Rogers Assistant Research Assistant Farzana joined the department in During his PhD with University College January 2017 and is a member of London, he was based full-time at the professional services team who the Research Complex at Harwell provides general administrative under the supervision of Prof. Richard support to the department. She Catlow and Dr. Peter Wells. The delivers support to students, outreach and widening work focused on the preparation and participation and student recruitment. Farzana characterisation of noble metal nanoparticle catalysts previously worked at the Royal College of Surgeons of with tailored properties, and their application in a range England as an Education Centre Administrator managing of heterogeneous catalytic reactions. In January 2017, all aspects of educational courses run for surgeons at all he was employed as a PDRA at the UK Catalysis Hub, stages of their careers. investigating novel Pt based catalysts for the aqueous phase reforming of glycerol.

UCL Chemistry NEWSLETTER 3 STAFF HIGHLIGHTS AND NEWS

Promotions Chudasama Group We are very proud to announce the following senior promotions of the department, effective from 1st members win several October: individual awards

To Professor: Congratulations to Max Lee, and João Nogueira and Dr Antoine Maruani from the Chudasama Group (http:// Professor Andrew Wills, chudasama-group.eu/) for winning several individual Professor of Physical prizes at national and international conferences. Max Lee was awarded 1st prize for his poster presentations at Materials Chemistry the prestigious RSC Organic Division Poster Symposium 2016, and João Nogueira for his presentation at an EPSRC i-sense conference. There were representatives from leading research institutions across the UK at both conferences. Dr Antoine Maruani was awarded two 1st prizes for his presentations at the PSL Chemical Biology Symposium and the SCT Young Research Fellow Professor Cyrus Meeting. The former was judged by Editors from the Wiley Hirjibehedin, publishing group and is one of the premier conferences Professor of Physics in the field. This adds toAndré Shamsabadi obtaining Chemistry and a Graduate Research School Scholarship, Alex King Nanotechnology obtaining LiDO funding, and Péter Szijj being awarded a Wellcome Trust studentship.

“I am very glad that Max, João and Antoine got some To Reader: of the individual credit that they deserved for their work and effort. It was also great that the presentations represented work from distinct streams of research in our Dr Vijay Chudasama, lab; antibody conjugation, protein-based therapeutics, Reader in Chemical Biology and the development of next generation point-of-care devices. I must also highlight that we are a very close- knit team and that Dr Daniel Richards also deserves credit for his contributions to the works that were presented. It is also great that new PhD students André and Péter have joined our team after obtaining funding from highly competitive sources - very well deserved.” said Dr Vijay Chudasama. Dr James Baker, Reader in Chemical Biology

Dr Robert Palgrave, Reader in Inorganic and Materials Chemistry

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Royal Society of Chemistry Higher Education Technical Excellence Award

We are pleased to announce that our Technical Team have been awarded the RSC Higher Education Technical Excellence Award.

The award is for their work in the full re-design of the third year laboratory courses that were delivered for the first time this year. The third year laboratory, which spans all of chemistry was re-designed to bring in more research elements – linking into UCL’s Connected Curriculum strategy - was a huge undertaking, with their input from start to finish vital. Their professionalism, dedication and diligence and huge time commitment, whilst continuing with all their other work was key in the success of this course.

Many of them were also involved in the implementation of the first year Air Pollution Project – again part of our desire to bring research into the heart of the curriculum from the start of your degree. Their efforts have also been recognized in the university with Provost’s Team Teaching Award.

Dr Katherine Holt, Chair of the Teaching Committee explains

“The 2016 redesign represents a move away from following recipes in each of the separate disciplines of physical, organic and inorganic chemistry, to a more research-led approach to teaching practical chemistry. Many practicals are now linked so students will be able to appreciate the connections across the subject. The technicians, with their years of experience and expertise, play a central role in developing this concept and will play an invaluable one in ensuring its future success. They are a dedicated team who reorganised and restructured the lab space, designed and tested all the new experiments, all over a very short time alongside their usual commitments.’

Image (back to front, left to right): Martyn Towner, Alan Philcox, Mike Parkes, David Webb, Phil Hayes, Nitin Bagha, Crosby Medley and Claire Gacki. Absent: Helen Grounds and Debbie Allen

UCL Chemistry NEWSLETTER 5 STAFF HIGHLIGHTS AND NEWS

CHEMISTRY BIRTHS Andy Kerridge We are pleased to announce the birth of Charlotte Debbie Allan Kerridge, daughter to Andy & Milena Kerridge. Charlotte was born in February 2017 and both mother and baby are Debbie is a Natural Science Technician based in doing well. Andy obtained his PhD working with Professors the department, mainly working in the Graham lab, Marshall Stoneham and Tony Harker in the Department although sometimes in the Turner lab too, setting up and of Physics at UCL, he completed a postdoctoral cleaning practicals plus helping students when needed. position in the London Centre for Nanotechnology, Debbie does a lot of the safety things based around the applying quantum chemical teaching labs including risk assessments and COSHH methodologies to problems assessments. in quantum computing. He Leon Jasper Allen was born on 16th April 2016 weighing then moved to the UCL 3.58kg. Debbie said “I was delighted to see my little Department of Chemistry, boy when he arrived nothing compares to that feeling working on problems in you have when you finally get to hold them”. actinide chemistry with Professor Nik Kaltsoyannis The picture is of before obtaining his Leon and sister Fellowship at Lancaster Sasha together University. recently.

Kersti Karu Our Mass Spec Manager, Kersti, gave birth to a beautiful baby boy on 12th February 2017, weighing a healthy 3kg. They have named him Nicholas David, keeping tradition and passing down the fathers’ name. Kersti said “He is a very chatty baby Tom Bridges and always happy to meet Tom is the Instrument Technician for the department. new people” when she came His wife Hayley gave birth to an 8lb 11oz baby girl on into the office for a keeping in the 23rd October 2016. Hayley and Tom named their touch day. Unfortunately, at little girl Felicity May. They are both absolutely delighted the time he was fast asleep as you can see from the with the arrival of their first child. Felicity is doing really- picture. well and has even given them a few good night sleeps. Tom and Hayley added “We are really grateful for the gifts and support we have received from within the Martijn Zwijnenburg department”. Martijn and his wife Kim Jelfs welcome to the world their little girl, Rosalind Anne Zwijnenburg. She was born on the evening of Thursday 27th April 2017 weighing 3.3kg. Kim did her undergraduate degree in the department, as well as PhD in the group of Prof. Ben Slater, before moving first to Liverpool and currently Imperial College London, where she is a lecturer in the Chemistry Department. They are both very happy and have already planned her career path as you can see from the picture – a mini chemist in the making!

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Fabiana Subrizi Tom Sheppard Fabiana joined the Tom is a Reader in Organic department in October Chemistry and has worked 2013 as a PDRA working with the Equalities, Diversity in the groups of Professor and Inclusion Team to Helen Hailes and Dr Tom achieve the departments Sheppard. During the Athena SWAN Bronze last year, Fabiana had award. Tom and his wife the chance to do more Ruth welcomed to the teaching and mentoring world a happy little boy which fit particularly well on 14th May 2016. Their with her finding out that son, Matthew John Joseph she was expecting a baby Sheppard, weighed 3.1 kg girl since she could partially reduce the time in the lab and is keeping them both fit and expand her career expertise at the same time. lab with all the heavy lifting, at 13 months Matthew weighed and expand her career expertise at the same time. a fairly substantial 12.5kg! Matthew certainly looks like he is keeping them on their toes in this adorable picture. Fabiana said “I think that having a child during the post-doctoral years, before establishing a permanent position, can be helpful in caring for the family due to the flexibility of academic work. Especially when you find very supportive mentors, which in my case has been hugely useful from the beginning of my Matthew Blunt pregnancy. I have also been very lucky to have met Matthew and his wife Claire friendly and extremely collaborative colleagues. welcomed a daughter to the world on Sunday 11th June 2017. Florence I am keen to keep working and continue to develop Evelyn Blunt, weighed 7 pounds 2 my career. My partner is also a chemist working in ounces. academia and we moved quite a lot and not always together (from Rome to Barcelona to Leeds to London) before we settled just outside London. We are both commuting between Oxford and London and I am aiming to undertake a less lab-based job in science so that I can partially work from home and have an excellent work-life balance”. Helen Allan We are pleased to announce that Fabiana gave birth to a (nee Grounds) little girl called Marta on the 29th April at 20:16 in Oxford Laura Allan was born on Tues 29th August weighing weighing 3.120 kg. 8 lbs 10 ozs. Helen says she is Pretty sleep deprived but all doing well!

UCL Chemistry NEWSLETTER 7 STAFF HIGHLIGHTS AND NEWS

Royal Society Elections

Many congratulations to Prof Sarah (Sally) Price who was elected as a Fellow of the Royal Society in May 2017. Sally Price was appointed to the academic staff as a lecturer in 1989, pregnant with her second child, and so transferred her Royal Society University Research Fellowship from Cambridge to UCL for her first year. Sally was, at that time, the only parent of small children as well as the only woman on the academic staff. She is a theoretical chemist, whose research has centred on developing analytical models for the forces between molecules and applying them to predict the properties of molecules in the gas, biomolecular complexes and mainly in the crystalline state. Her first research grant at UCL was to develop a program for modelling organic crystal structures which reflected the electrostatic effects of lone pair and π electrons on the intermolecular forces. This program DMACRYS is used in “organic crystal structure prediction”, which seeks to find the thermodynamically plausible crystal structures of a molecule. Sally has been developing the use of these calculations to establish the possible crystallisation behaviour of molecules, as a complement to experimental screening to find the range of important crystalline forms of a molecule. This combined screening has developed from having joint students with Derek Tocher contrast their lab crystallisations with their calculated structures, to collaborating with pharmaceutical companies.

Sally has seen huge changes in the department as she progressed from Lecturer to Reader (1996) then to Professor (2000), going from being on many committees through to periods as Admissions Tutor, Graduate Tutor and her current role as Course Organiser for the MSci 4th year projects. A major career step was successfully leading a bid to the Research Councils UK in 2003 for the Basic Technology project “Control and Prediction of the Organic Solid State (CPOSS)”, to validate and develop crystal structure prediction methods by collaboration with leading experimental work on the same compounds. This collaboration involved Derek Tocher and Richard Catlow as UCL Chemists, pharmaceutical scientist Alastair Florence in Strathclyde, Kenneth Harris and Maryjane Tremayne (ex-UCL Chemists then in Birmingham), facilities crystallographers Bill David and Chick Wilson, and Maurice Leslie (the main developer of DMACRYS at Daresbury). The CPOSS project has expanded to many interdisciplinary and international collaborations and covered more than 200 molecules (www.cposs.org.uk). Dr Louise Price, the CPOSS research technician continues as the mainstay of the group developing and maintaining the computational infrastructure capabilities. Although CPOSS work is responsible for most of Sally’s over two hundred publications, many of those contributing to her H-factor of 55 come from the earlier work applying the theory of intermolecular forces to develop computational modelling.

“I am delighted by the election to the Royal Society, which recognises the role of interdisciplinary team working. I am hugely grateful to so many people who have contributed their expertise in trying to develop a computational model for how a specific molecule could crystallise. The increasingly molecular scale experimental work on crystallisation, and variety of methods that generate novel crystalline forms, is providing an ongoing challenge to our abilities to even calculate the thermodynamics of organic crystals let alone understand what other factors determine how a specific molecule will crystallise.”

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Soapbox Science By Dr Katherine Holt On a sunny Saturday afternoon in May, twelve nervous women gathered under the trees at Gabriel’s Wharf on London’s South Bank and prepared to don a lab coat. Although seemingly quite sane, they proceeded to clamber onto soapboxes and shout at the passing public who were otherwise minding their own business. One of the women had brought an array of skeleton hands, another a giant carbon nanotube and a particularly crazy lady was waving a bag of charcoal and a clearly fake plastic diamond (OK – that was me). People stopped and stared and were occasionally enticed over to find out what was happening. What did they discover? Well it was the 7th annual Soapbox Science event of course!

Soapbox Science is an outreach initiative set up by two female scientists who wanted to address the ‘leaky pipeline’ issue in academic science. This is the observed phenomenon that although 50% of science graduates are women, only 20% of science professors are female. Some of the principal factors behind this drop-off are implicit bias, stereotypes or lack of female role models.

I applied to do Soapbox Science partly for the challenge. I’d given loads of talks to schools and science clubs on ‘Diamond – more than a girl’s best friend?’ and had a set of Powerpoint slides and a prepared script that could be adapted for any occasion. Generally, I gave the talk to people who had chosen to show up and were prepared to listen, sometimes they had even paid! Soapbox Science was completely different – no slides, no script, the audience didn’t have to stay and listen – in fact they could walk away at any point (and generally did!).

In the end, it was a fantastic experience – trying to attract and maintain an audience for an hour, dealing with the random questions they asked, explaining difficult scientific concepts to people with no background knowledge, without pictures or props. While there was the occasional panicked moment when my audience thanked me, and drifted away I always managed to drag some more people in to listen. ‘Do you want to learn how to make a diamond?’ seemed to be a good hook. Generally, people were so intrigued by the sight of women in lab coats standing on boxes and shouting that they had to come over and find out what was going on.

The best bit? A lovely little girl stood and listened to me for ages and asked lots of intelligent questions. Her mother, responding to a Twitter photograph of the girl standing in front of me posted ‘The little girl in that photo is six and after today she wants to be a scientist when she grows up’. Mission accomplished!

Team MBE triumphs at the Richmond Running Festival 10K!

Following the sad death of Professor Mike Ewing in 2016, Mike’s family asked for donations to go to Macmillan Cancer Support. To raise money for this good cause in memory of Mike, academics from the department signed up to do a sponsored run for Mike and Macmillan Cancer Support at the Kew 10k run on Sunday 18th September 2016.

Helen Fielding, Helen Hailes, Daren Caruana, Alethea Tabor, Mike Porter and Steve Price raised over £3500! Many congratulations to them, what a great achievement.

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2016 – 2017 PRIZE WINNERS We would like to congratulate the following prize winners:

Undergraduate Prize Winners JANA OCKOVA Harry Poole Prize ALEXANDRA BORRELLI - For Excellence in Physical Chemistry CK Ingold Prize SAMUEL DOUGLAS - For Excellence in Undergraduate Performance Ronald Nyholm Prize - For Excellence in Inorganic Chemistry GIANINA-ELENA BUTNARIU CK Ingold Prize TESSA RYDER - For Excellence in Undergraduate Performance Charles Vernon Prize - For Excellence in Biological Chemistry ISOBEL DUDLEY CK Ingold Prize Franz Sondheimer Prize - For Excellence in Undergraduate Performance - For Excellence in Organic Chemistry

RAIF IBRAHIM CK Ingold Prize - For Excellence in Undergraduate Performance PhD Prize Winners TERESA INSINNA CK Ingold Prize ANDRE SHAMSABADI - For Excellence in Undergraduate Performance Supervisor: Vijay Chudasama 2016 Tuffnell Prize (year 1) JOE MCLOUGHLIN - For the best student commencing a Ph.D. in the CK Ingold Prize Department of Chemistry, UCL. - For Excellence in Undergraduate Performance JAMES PRIME EMMELL WILSON-RAYMOND Supervisor: Dewi Lewis CK Ingold Prize 2016 Tuffnell Prize (year 2) - For Excellence in Undergraduate Performance - For the best student commencing a Ph.D. in the Department of Chemistry, UCL. WEIPENG YIN CK Ingold Prize MAUD EINHORN - For Excellence in Undergraduate Performance Supervisor: Gopinathan Sankar 2016 Ronald Gillespie Prize - For best student in Inorganic/Materials Chemistry MATUS DIVEKY proceeding to a Ph.D. at UCL. Neil Sharp Prize - For Excellence in Theoretical (including Computational) Chemistry XIANGYU ZHANG Supervisor: Jim Anderson 2016 Badar Prize EMILY LEONIDOU - For best student commencing a Ph.D. in Parke Davis Prize Organic Chemistry. - For Excellence in Medicinal Chemistry

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Chemistry Prizes On Monday 3rd July, Professor Claire Carmalt (Head of Department) congratulated the following students who were awarded for the best presentation in each of the major research areas of Organic/Medicinal, Inorganic/Materials and Physical Chemistry, as assessed by a committee.

Senio Campos de Souza Christopher Savory Ewing Prize Catlow Prize (the best student presentation in Physical Chemistry) (the best student presentation in inorganic chemistry)

Marco Sabatini Theo Suter Davies Prize Clark Prize (the best student presentation in Organic chemistry) (the best student presentation in Inorganic chemistry)

Images taken by Jadranka Butorac.

UCL Chemistry NEWSLETTER 11 STUDENT HIGHLIGHTS AND NEWS

Callum Foden and the Childhood Eye Cancer Trust (CHECT)

Cal Foden run the 2017 London Marathon and raised a staggering £3,702.48 for Childhood Eye Cancer Trust (CHECT). His page is still open and taking donations should you wish to give to this worthy cause: https://www.justgiving.com/fundraising/Callum-Foden Cullum’s Story CHECT have helped me, other children, and their families through the difficulties of dealing with Retinablasnoma (Rb). For children and parents having a diagnosis of Rb is extremely frightening. Having a child lose one or both eyes or undergo chemotherapy for this fast growing cancer is a life changing event. CHECT helps support families through this every step of the way.

I had one eye removed after being diagnosed with Rb and it was awful for my parents at the time and as I grew up it became awful for me. Coming to terms with having one eye was and still is difficult and will probably never change but CHECT have made it easier. The support they offered was very important for me and will continue to be for those who have been diagnosed.

To give back for the help they gave me, I run all 26.22 miles of the 2017 London Marathon in aid of CHECT. All donations - big or small - are appreciated. Rest assured they will go to a great cause and make a difference to normal people’s lives who have been badly affected. chect.org.uk contains details of the great work they do but the main work surrounds support for families and research. £5 could fund a newsletter £50 could fund a regional event for a family feeling isolated and distressed £500 could help 2 families with travel costs £5000 pounds could fund a weekend for teenagers affected by Rb to build their confidence £50000 could fund a research project into the condition

Donating through JustGiving is simple, fast and totally secure. Your details are safe with JustGiving - they’ll never sell them on or send unwanted emails. Once you donate, they’ll send your money directly to the charity. So it’s the most efficient way to donate - saving time and cutting costs for the charity.

Congratulations to Professor Ivan Parkin Robbie Sinclair wins Symposium Student and Yao Lu on winning the IET Micro & Nano Letters Presentation Contest. Robbie has won first prize Premium Award for the paper ‘Hydrophilic patterning of in the Computer-Based Modelling and Experiment superhydrophobic surfaces by atmospheric-pressure for the Design of Soft Materials Symposium Student plasma jet’, Volume 10, Issue 2, 2015, p.105-108. Presentation Contest held at the 2017 MRS Spring Meeting. His paper “New Insights into Graphene Prof. Paul McMillan & Dr Rachael Hazael have Exfoliation with Molecular Dynamics” represents the been featured in latest edition of New Scientist. Link: first public exposure of a scientific development in the https://www.newscientist.com/article/mg23431264- understanding of graphene properties which is of central 800-microbes-might-thrive-after-crashlanding-on- importance to understanding its formation, synthesis board-a-meteorite/ and role in nanocomposites. Caroline Knapp has been awarded an additional Congratulations to , a 1st year PhD £50,000 to continue her ongoing collaboration with the Alice Henley student in Helen Fielding’s group, who won the Faraday Luxembourg Institute of Science and Technology (LIST), Prize for her poster, “Electronic structure and dynamics the application was for an INTER Mobility project, for the of conformationally-locked photoactive yellow protein project titled: Metal Ink Formulations for Atmospheric- chromophores” at the inaugural Faraday Joint Interest Pressure and Room-Temperature Plasma-Assisted Group Conference 2017 in April this year. Printing of Conductive Films (PLASMID). The project is jointly funded by LIST and The National Research Fund Luxembourg (FNR).

12 UCL Chemistry NEWSLETTER STUDENT HIGHLIGHTS AND NEWS

E-MRS 2017 Best Poster Prize

Founded in 1983, the European Materials Research Society (E-MRS) now has more than 3,200 members from industry, government, academia and research laboratories, who meet regularly to debate recent technological developments of functional materials.

The E-MRS differs from many single-discipline professional societies by encouraging scientists, engineers and research managers to exchange information on an interdisciplinary platform, and by recognizing professional and technical excellence by promoting awards for achievement from student to senior scientist level. As an adhering body of the International Union of Materials Research Societies (IUMRS), the E-MRS enjoys and benefits from very close relationships with other Materials Research organizations elsewhere in Europe and around the world.

Each year, E-MRS organizes, co-organizes, sponsors or co-sponsors numerous scientific events and meetings. The major society conference, the E-MRS Spring Meeting, is organized every year in May or June and offers on average 25 topical symposia. It is widely recognized as being of the highest international significance and is the greatest of its kind in Europe with about 2,500 attendees every year. Each symposium publishes its own proceedings that document the latest experimental and theoretical understanding of material growth and properties, the exploitation of new advanced processes, and the development of electronic devices that can benefit best from the outstanding physical properties of functional materials.

This year the E-MRS Spring Meeting and Exhibition was held in the extended and modernized Convention Centre of Strasbourg (France), from May 22 to 26, 2017.

We are pleased to announce that Winnie Leung, current MPhil student and previous MSci Student (2012-16) won the Best Poster Presentation. Winnie is jointly supervised by Dr David Scanlon and Dr Robert Palgrave and is pursuing a joint theory-experiment PhD based on examining novel antimony and bismuth based materials for renewable energy applications. At the e-MRS Winnie presented her results on NaSbS2, an emerging non-toxic, earth abundant solar cell material.

Congratulations to Conor McLaughlin (MSci Congratulations to Merino Corpinot who won student in Helen Fielding’s group 2015-16) whose project a poster prize at #ICCOSS work has been published in Chemical Science: C. McLaughlin, M. Assmann, M.A. Parkes, J. Woodhouse, Congratulations to Guanjie He (Supervisor: Prof. R. Lewin, H.C. Hailes, G.A. Worth and H.H. Fielding, Ivan P. Parkin) who got the Best Talk Winner Award from ortho and para chromophores of green fluorescent STFC Early Career Researchers Conference. protein: controlling electron emission and internal conversion, Chem. Sci., 8 1621-1630 (2017) Congratulations to Mariam Yusuf (1st year Med Chem) who has been selected to be one of the first UCL Congratulations to Jamie Tay (MSc student in cohort of Laidlaw Research & Leadership Scholars. Helen Fielding’s group 2013-14) whose project work The programme aims to create the leaders of the future has been published in J. Phys. Chem. Lett.: J. Tay, through a mix of training and intensive summer research M.A. Parkes, H.H. Fielding, K. Addison, Y. Chan, L. periods. It runs at a number of high ranking universities Zhang, H.C. Hailes, P.C. Bulman-Page, S.R. Meech, and is becoming regarded as an indicator of exceptional L. Blancafort, H.H. Fielding, The effect of conjugation academic and leadership promise. on the competition between internal conversion and electron detachment: a comparison between green fluorescent and red Kaede protein chromophores, J. Phys. Chem. Lett. 8 765-771 (2017)

UCL Chemistry NEWSLETTER 13 STUDENT HIGHLIGHTS AND NEWS

CPS Report 2016-17 By Dr Caroline Knapp

The 141st CPS year started with a bang when Stefan Gates challenged the Great and the Good of UCL to explain his bizarre, extraordinary and explosive food demos. His talk “Gastronaut vs UCL: The Explosive Food Smackdown!” was a huge hit, with the audience packed in like sardines, although the evening’s menu was a far cry from tinned fishy morsels. There were glowing drinks, edible insects and some audience members ended up with their lips covered in gold. Stefan performs spectacular food and science demos on TV, on YouTube and at the biggest science fairs in the country; he even managed to get this year’s president blowing down a tube filled with powdered custard, resulting in a fiery explosion!

Following this great start, Tristram Wyatt’s talk “Success of the smelliest? Do humans have pheromones?” was a fascinating account of pheromones, dispelling the myth that humans give any off at all! He went on to detail pheromones and their effects in the animal kingdom, from suckling rabbits to ovulating goats. From bad science to alchemy, our next speaker was John Hudson, whose talk “Alchemy or How to Make Gold” was a light-hearted look at the long history of alchemy. Travelling the globe in inspiration he told the story of alchemy and reminded us modern day chemists that we owe a debt to the humble alchemist of the past.

Angela Drukman’s talk on sustainability was one highlight of the term. She introduced thought-provoking ideas regarding society’s balancing of time, work and happiness in her talk “Moving towards sustainability: less stuff, more fun?”. It wasn’t your average talk on cutting greenhouse gas emissions! She also addressed the rising issues of mental health problems and depression; one solution being to volunteer in community projects.

Following the well-attended careers evening was David Witty and his talk “Magic, Folk Medicine and Modern Drug Discovery”. In this lecture, David gave his perspective on pain killers and some insight into the winding history of drug development, with a particular focus on bringing new classes of drugs to the masses. Following this, we were treated to the magical Gordon Woods, who came in full costume as Dmitri Mendeleev and gave the talk “Meet Mendeleev, the man and his matrix”. Wearing a stick-on beard, Gordon proved quite the super-fan by giving a mesmerising account of the life of the Periodic Table’s inventor (he even had merchandise to sell in the Nyholm room afterwards!).

Taking us back to reality, Jennifer Bizley used her group’s cutting edge-research to answer the question “Is hearing believing?”. She detailed the brain’s ability to process hundreds of sensory inputs at once and had several demonstrations designed to put our ears to the test. The following week we were all ears for the annual Christmas Quiz, which was a roaring success! Special thanks go to the helpers who ran out at half time to buy more drinks, and as always to the organisers who did a great job; the pre-quiz cypher was fantastic!

In the Spring term, Jon Copey got the ball rolling with his talk “Deeper than the Titanic, hotter than molten lead: exploring hydrothermal vents on the ocean floor”. Jon has been on many deep-sea expeditions and told of the wondrous hydrothermal vents and the microbes that live around them. He even treated us to some as yet unseen footage set to appear in the upcoming BBC series: Blue Planet 2.

Next up was “Elastomeric Products - Applications & Markets”. Dr Alex Celik gave an overview into the key markets of, and applications for, his company’s materials and introduced recent disruptive innovations into the elastomerics field. He even told us about the much maligned speed bumps and their move from tarmac to elastomers! The following week saw quite the shake-up, from the elastomeric flooring at the Olympic park in Stratford to the medical centres in Kenya. Pushing for change, our next speaker was Stephen Bowman, who spoke about “Human Beings and Life on Earth”. Stephen gave a passionate account of his time working with charities in Africa in order to combat the huge problem that is global population growth. Unafraid to address the difficult issues, he spoke of the certainties of future famines, plagues and wars due to the overpopulation of the earth and the link with carbon emissions. His top tips: have fewer children, have them later, and reduce your carbon emissions.

14 UCL Chemistry NEWSLETTER STUDENT HIGHLIGHTS AND NEWS

The following week was a joy, the CPS annual away day at the Grant Museum of Zoology. An informative introduction was given by the curator, Jack Ashby, followed by time to walk around with a glass of wine staring at the bizarre animals preserved in jars!

Above left, the Micrarium at the Grant Museum of Zoology; right, the flea’s knees.

Back to UCL for the home stretch, Prof. Alan Dronsfield told us all about south American coca leaves, from cocaine used in dentistry to its use in wine that Queen Victoria herself used to drink. He went on to discuss its prohibition in the early 20th century in the USA and the stigma that became attached to this substance in his talk “Chemical, Medical and Social History of Cocaine”. From coca leaves to vineyards, UCL Chemistry’s very own Dr Stephen Potts gave a spellbinding and interactive wine tasting lecture “Wine Tasting as a Scientific Experiment? Wine is a Solution!”. Informative as much as it was intoxicating, this wonderful evening gave the perfect chemical introduction, both theoretically and physically, to honing your nose and palate. It was everything an undergraduate could have wished for.

Keeping on the topic of intoxication, the next talk “Mind-altering drugs in history and culture” was given by Mike Jay. Using rarely-seen images drawn from the High Society exhibition he curated at the Wellcome Collection and his accompanying book, Mike explored the spectrum of mind-altering substances across the globe and throughout history. Rather more sobering was Simon Werrett’s talk “Household Oeconomy and Chemical Inquiry, 1760–1840”, which told you everything about oeconomy you ever wanted to know and addressed the future sustainability of chemical experimentation.

The final talk of the year was the presidential lecture “Illegal Street Drugs”, given by Dr Caroline Knapp. The talk addressed the effects of alcohol on the brain, and then went on to compare these effects with those of various depressants and stimulants, coming to the conclusion that potentially the most dangerous drugs aren’t necessarily the ones you’d expect. Certainly more stimulating than depressing, hopefully the undergraduates weren’t given too many Breaking Bad-esque ideas!

UCL Chemistry NEWSLETTER 15 STUDENT HIGHLIGHTS AND NEWS

It’s safe to say that the CPS end-of-year boat party was CPS Boat Party a roaring success. The boat was perfect, the views were By Lissa Darby beautiful, everybody looked fantastic, the music was infallible and the company was wonderful. The whole event was watertight and there is every suggestion that it After months of planning, pestering and prosecco will become an annual feature; a highlight in the already ordering, finally the day had arrived. On Tuesday 30th full and exciting CPS calendar. May 120 CPS members and their friends stepped aboard the MV Royalty for the first ever CPS end-of- Many thanks must go out to those who helped organise year boat party. this fabulous night, to ensure it ran smoothly and everyone had a brilliant time: Mira Androniciuc and The guests were dressed to the nines and as the fairy Sophie Walpole for organising, Shiny Matthews for light-draped boat filled up with party-goers and the dealing with our numerous expense queries, Caroline evening sun broke through the clouds, it was clear it was Knapp for generally being enthusiastic, helpful and going to be a fantastic night. liaising with everybody involved; Absolute Party Cruises for providing the beautiful boat and dealing with our The boat set sail at 8pm from Festival Pier and we questions, no matter how trivial; and, last but by no means enjoyed a wonderful cruise down the Thames, getting as least, everyone who bought tickets and came along to far west as Barnes and Richmond just after a beautiful make the party the fun and successful night it was. sunset.

Once the sun was down the party moved inside and the dancing started! We were so lucky to have the Chemistry Department’s finest two DJs, Sam Wigfield and Ben Cole, providing us with perfect tunes to which we could dance the night away. Impressive shapes were thrown and moves busted as the MV Royalty meandered further east. The disco and funk classics – think Earth, Wind & Fire into Chic – were impossible to resist and within no time the dance floor was packed, the sound of chatter and laughter were near fever-pitch and the celebration of the end of exams and another year at UCL was clearly a huge one.

Our journey ended after passing beneath Tower Bridge - the perfect selfie opportunity – at around midnight, but the festivities certainly did not. A short hop, skip (stumble), and jump across the Golden Jubilee Bridge to Embankment took us to Opal bar, where we were lucky to have secured a special late opening. The party continued into the early hours for a hardcore group of CPS members and friends (including committee members, I’m pleased to say) until hunger steered the late-night revellers to the nearby McDonald’s, where the party – reluctantly – diffused its separate ways homewards.

16 UCL Chemistry NEWSLETTER STUDENT HIGHLIGHTS AND NEWS

On behalf of Forensic Outreach, Michaela Regan Girls in STEM 2017, and myself got involved in the event at Newcastle, with Forensic Outreach & UK, where we delivered four 1-hour CSI workshops with around 60 girls in each one. We kicked the show the CFS off with a short presentation on the different forms of evidence often encountered at a crime scene, and how By Simona Gherghel they can be used to help investigations. After which, it was the time for the girls to help us solve the mystery surrounding the ‘death of our victim’. On 7th of February, Accenture together with They accomplished this by working through four different STEMettes organised a major STEM event across stations (crime scene, fingerprinting, blood spatter, and 7 different locations (including London, Manchester, marks and impressions), where they were able to gather Newcastle and Edinburgh in the UK). The aim of the intelligence to build up a case against the criminal. We event was to inspire girls aged between 11 and 13 were thrilled with the enthusiasm, the involvement, as to consider STEM subjects and careers. The event well as the reasoning skills shown by our participants. featured a series of inspiring talks as well as hands-on workshops, where girls took part in various activities such as 3D printing, coding and getting into the shoes of a forensic scientist.

Picture by Simona Gherghel

Picture by Simona Gherghel We had such a fantastic experience at the Girls in STEM event in Newcastle, and we hope that through our workshops and our passion we inspired girls to consider a career in forensic sciences!

UCL Chemistry NEWSLETTER 17 STUDENT HIGHLIGHTS AND NEWS

The Lindau Nobel Laureate Meeting

The Lindau Nobel Laureate Meeting is an annual, scientific conference in Lindau, Germany running since 1951. It is a big party between Nobel laureates and highly selective young scientists worldwide. This year, Lindau welcomes nearly 30 Nobel laureates and 400 young scientists for its 67th meeting dedicated to Chemistry from 25th to 30th June. In the first four days, the young scientists attended Nobel lectures in the morning and had a face-to-face discussion with Nobel laureates in the afternoon. In the evening, wonderful theme banquets were organised for building up networks between Nobel Yao Lu and his host family in Lindau (left to right: Peter laureates and young scientists, such as the International Langhans, Yao Lu and Gabriele Langhans) Get-Together, the Bavarian Evening and the Bayer Open Science Start-up Pitch. On the 30th, all participates were provided a luxury boat trip to Mainau island.

Dr. Yao Lu from UCL Chemistry (now UCL Mechanical Engineering) was invited as a young scientist to attend the 67th Lindau Nobel Laureate Meeting. He lived in a host family who made wonderful German breakfast and strawberry cakes for him. Yao Lu borrowed a bicycle from the Langhans and cycled every day to the lectures and meetings in beautiful Lindau Island. In the Noble lectures and panel discussions, the biggest concern is the climate change. Scientists joined together to fight with global warming, which would be a big disaster although it is not visibly seen. The second concern of this meeting is Brexit - fortunately, both UK and EU scientists believe that they will continue their firm collaboration in Nobel laureate Sir John E. Walker at panel discussion scientific research and education even after Brexit. From during 67th Lindau Nobel Laureate Meeting the laureates, Yao Lu learnt that the Nobel spirit is “take an adventure to try something new and never give up”. Besides the route activities, Yao Lu participated in a competition at Bayer Open Science Start-up Pitch on 28th. In this competition, young scientists were expected to give a 3-5 min talk regarding translational strategies and commercialization of their research. The panels are from industry. Dr. Yao Lu was the first speaker, and his topic is “superhydrophobic materials for self-cleaning and oil-water separation”. He prepared many videos to explain how his material functions, but unfortunately none of them work on the computer due to the video formats. He had to explain what happens in the videos one by one. Due to his solid research results and excellent performance, he finally won the Bayer Open Science Start-up Pitch Prize, which is 10000 euros! Actually, the Bayer Open Science Start-up Pitch is more like a party than a competition; people enjoyed free food and drinks with listening to the candidates.

Dr. Yao Lu on a boat trip from Lindau Island to On 1st July, Dr. Yao Lu started his journey back to Mainau Island London, with unforgettable memories, international networks and precise Lindau Nobel spirits.

18 UCL Chemistry NEWSLETTER ALUMNI MATTERS

2017 CHEMISTRY LAB DINNER

We are pleased to announce that this year’s Chemistry Lab Dinner will be taking place on Friday 24th November 2017 at the Grafton Hotel

For further details please visit our website: http://www.ucl.ac.uk/chemistry/about-us/lab-dinner

This year we are thrilled to be able to announce the Thomas Graham Lecture will be given by Professor Saiful Islam from the University of Bath. Saiful obtained his BSc and PhD degrees from UCL Chemistry, completing his PhD under Professor Richard Catlow FRS. He then held a postdoctoral fellowship at the Eastman Kodak Labs in Rochester, New York, USA, working on oxide superconductors. Saiful returned to the UK to become Lecturer, then Reader, at the University of Surrey before joining the University of Bath in January 2006 as Professor of Materials Chemistry. His research interests include computer modelling of new materials for lithium (and sodium) batteries, solid oxide fuel cells and perovskite solar cells. He has recently served on the Diversity Committee of the Royal Society and is a patron of the British Humanist Association (BHA). Saiful recently presented the 80th anniversary Royal Institution Christmas Lectures (2016) on the theme of energy. I am sure you will agree that this promises to be an excellent start to the evening.

Our after-dinner speech will be given by the department’s latest Fellow of the Royal Society, Professor Sarah (Sally) Price FRS. Sally was appointed to the academic staff as a lecturer (1989), she progressed to Reader (1996) then to Professor (2000). A major career step was successfully leading a bid to the Research Councils UK in 2003 for the Basic Technology project “Control and Prediction of the Organic Solid State (CPOSS)”, to validate and develop crystal structure prediction methods by collaboration with leading experimental work on the same compounds. This collaboration involved Derek Tocher and Richard Catlow FRS as UCL Chemists, pharmaceutical scientist Alastair Florence in Strathclyde, Kenneth Harris and Maryjane Tremayne (ex-UCL Chemists then in Birmingham), facilities crystallographers Bill David and Chick Wilson, and Maurice Leslie (the main developer of DMACRYS at Daresbury).

We have also invited the CPS President, Dr Gemma-Louise Davies to give a short speech on the future works of the CPS and how you can get involved. Gemma recently joined us from Warwick University as a Lecturer in Materials Science.

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 £35. To book your place at this year’s event, please complete a booking form (found on the link above) and return with payment, all cheques should be made payable to “University College London”. Tickets are non-refundable.

UCL Chemistry NEWSLETTER 19 ALUMNI MATTERS

Obituaries Russell Binions 1978 - 2017 Howard Flack We are very sorry to announce 1943 - 2017 the death of Dr Russell Binions We are sorry to announce the death who sadly passed away on of Howard Flack on 2 February 13th April 2017 after losing his 2017. Howard was known to battle with cancer. Russell got his PhD in 2005 from UCL crystallographers worldwide for working with Professor’s Ivan Parkin and Claire Carmalt many achievements in structure and after a year in industry he returned to UCL for a determination, symmetry and Postdoc. He received a Royal Society Dorothy Hodgkin crystallographic software. Howard Fellowship in 2008 and was a valued member of the studied with Kathleen Lonsdale back in the day… Flack inorganic and materials section here in the department. made a huge contribution to crystallography through his After finishing his fellowship, he got a permanent work on anomalous scattering, the key to establishing position at Queen Mary. His wife Olga said “Russell the absolute configuration of a chiral molecule using was an extraordinary man. His strength of character X-rays. and persistence are known to all who met him. Scientist, musician, husband, son, friend... In every role he gave Howard Flack demonstrates ‘la Coupe du Roi’ - a method of it all. There is a large Binions-shaped hole in the world dissecting an apple into two identical chiral halves, during now...”[sic]. the 1998 European Crystallography Meeting in Prague. Photo courtesy W. L. Duax. Russell Binions Memorial by Professor Ivan Parkin I first met Russell in 2001 when he Mary-Lou Jabore attended for a Ph.D. interview with 1946 - 2017 me and Claire Carmalt at UCL. He We are very sorry to announce the was actually very nervous at the interview. Russell death of Mary-Lou Jabore on 6th graduated from Durham University with a 2ii MChem March 2017. Mary-Lou was our degree, normally UCL required a 2i degree for entry, Departmental Secretary and PG indeed I had to make a special case to UCL for Russell. Administrator from 2001 until she Both Claire and I saw something special in him, he had retired in August 2014, sadly she infectious enthusiasm and a propensity to argue a point was diagnosed with a brain tumour. She is remembered which is a good trait for a scientist. Russell graduated as truly supportive, helpful and friendly to everyone. with his Ph.D. in 2005, his first 18 months of his Ph.D. Gregory Gregori (Chemistry Research Degree, were actually quite difficult. Russell would argue every Supervisor: Professor Sankar) commented “Mary Lou point and needed to be convinced of why something was a wonderful woman. She was always open and was important. He did have a ‘lightbulb” moment at the easy to approach and I remember her helping me to get mid-point with his ‘sodium fluoride paper” he seemed to my PhD. She saw how upset I was at not getting my realise that there was a bigger purpose especially doing first choice - then picked up the phone right there and work of functional importance and from then on was a then, rang Professor Sankar and recommended me. 3 fantastic student. days later I began my PhD and now I am working as a scientist. My best wishes go out to her friends and family. After graduation, Russell worked for Norville lens using She was a fantastic human being. Xxx” [sic]. chemical vapour deposition to make hydrophobic surfaces. I introduced Russell to the company and he did Mary-Lou Jabore at her retirement lunch well for 11 months before both his health and his yearning for a more science led career meant that he came back Photo courtesy of Nicola Phillips and worked with me at UCL as a post doctorate. Russell excelled as a post doc, he was innovative and extremely helpful to my students. He would always take time to explain things to others and argue points with anyone on anything. He managed this despite going through treatment for non- Hodgkins lymphoma including many rounds of chemotherapy. At the end of his post doc he

20 UCL Chemistry NEWSLETTER ALUMNI MATTERS

was awarded a very prestigious Royal Society Dorothy Hodgkin Fellowship. This award enabled him to get Donations scientific independence from me and also facilitated him getting appointed as a lecturer and through his Those UCL Alumni and friends who have supported the outstanding all around performance to senior lecturer. department directly help us to build on our international I am certain a professor position was just around the reputation for teaching and research and make a range corner for him. of exciting activity possible. Your kind contributions have a direct impact upon our students and staff and we are Russell had research interests in thermochromic thin very grateful for it. films for use in energy conservation in windows, in developing gas sensors for detecting trace chemicals Many of the contributions we receive help to fund our and in developing chemical vapour deposition routes to awards and student prizes, for example our Ronald make new materials. He was particularly well known for Gillespie Award for Inorganic Chemistry and The Viola using CVD in electric fields and he came up with a new Horsell legacy is being used to support a number of term ELFI-CVD. Russell showed than using an electric Impact Scholarships. field during film formation could change the structure of the films and improve the physical properties. We continue to provide an excellent education and training environment for undergraduate and postgraduate students Russell published well over 100 international publications in chemistry and all of my colleagues are developing in scientific journals, with over 18 citations per paper. innovative methods to inspire and instruct. It is great to He was also very proud of his H-index; which was 24. know that we have your support and assistance as we This number expresses how well regarded his work was work to do this. within the community, with the higher number the better. To put this into context professors in the US normally We would like to thank the following UCL Alumni have an H-index of 18 or above so Russell surpassed Donors for their help over the last year:- many well known staff. His group published 16 papers in both 2013 and 2015 which is an extraordinary output Dr Adam Ian Sotowicz for any scientist. Dr Jack David Forrester Mr Frank William Haslam Russell had a number of international collaborations- Dr J Michael Hollas with Russia, China, Portugal and Italy. He travelled Professor Richard V Parish very extensively to conferences and at one point I really Dr David Baxendale found it difficult to track him down. He gave a number Squadron Leader Peter Claridge of invited talks at conferences and we often met up at Mr Gary Belchem these events; this included a memorial conference in Dr Adrian Bradley Singapore to which his wife Olga also came. Russell Mr Gordon Hugh Brown challenged the gas sensor community at that meeting Dr John Henry Aupers and left earning their respect. Mrs Karen Susan Kershaw I acted as Russell’s scientific mentor. I will miss most Dr Susan Christine Mangles his enthusiasm and sheer love for life. He had a way Mr Benjamin John Merrifield of engaging people whoever they are and he treated Professor Edward Arthur Robinson everyone the same. He also had an engaging mind and Dr Dominic Peter Mann the ability to gently tease people without them finding it Dr Alan John William Lobo annoying - well mostly. He was also self-deprecating Mr Calvin Chu and had this cheeky grin and little boy look. Russell was Miss Vanessa Gstettenbauer also my friend, he organised a 50th birthday reunion for my group that was really well attended. we played Plus others that wished to remain anonymous football and cricket together on the same teams, never – thank you all. the most mobile but he had an astute tactical brain.

I believe that we have lost someone who was very special, not just as an outstanding scientist, but someone who really cared about those around him, the world feels darker for his passing but his memory will stay with us.

UCL Chemistry NEWSLETTER 21 EQUALITIES, DIVERSITY AND INCLUSION

Athena SWAN

The Equalities, Diversity and Inclusion (EDI) Team responsible for implementing Athena SWAN have been working hard to improve the environment for all members of the department and some of their activities are described below.

You said … What we did …

It is difficult managing Since 2015, we have been asking all teaching coordinators to assign caring responsibilities teaching responsibilities in July for the following academic year when teaching which allows all colleagues to manage their time more easily. responsibilities are allocated at short notice. The assignment of We arranged for a departmental workload model to be teaching and enabling developed, based on the one used in the PChem section. responsibilities We sought feedback, and in response to this we are was unfair and not planning to role out a transparent document that lists transparent. activities for all staff, acknowledges part-time chemistry appointments, fellowships and sabbaticals clearly, records research group size and will be current rather than retrospective. HR interest in our development of a transparent workload model resulting in us being invited to present it to the UCL 50:50 Group. The promotions We re-organised the internal procedure to allow more process was unclear time to prepare and revise submissions. We held a and did not allow ‘Promotions Workshop’ to explain the departmental and time to respond to UCL processes and present the experiences of 3 advice following the colleagues at different career stages. Feedback from this event was unanimously positive and as a direct result of Professors’ meeting. its success the Faculty is adopting the idea and a ‘Faculty Promotions Workshop’ was held in June 2017. There were not enough We requested seminar organisers to ensure they invite at women seminar least 50% women speakers and we now have 50% F/M! speakers providing role models for our early career researchers. Members of the We fed this back to the research committee who now department need organise monthly ‘Bring Your Own Lunch’ meetings space and time to for academics. We held our grand opening for the interact informally. refurbished Nyholm room that is now block-booked as a social space for staff and researchers to chat over tea/coffee 10.30-11.30 daily.

The web page We developed a new web page that is now maintained needs updating and regularly and as a result of its attractive appearance and maintaining. the quality of its content, the Department of Physics and Astronomy are basing their new website design on ours!

22 UCL Chemistry NEWSLETTER EQUALITIES, DIVERSITY AND INCLUSION

You said … What we did …

The 2016 staff survey We held a series of lively discussions to which all staff highlighted some were invited to discuss key issues (work/life balance, dissatisfaction with career progression and UCL2034) which very constructive how some things are and resulted in a number of actions, such as the new done. seating area near the door of the general office to allow for discussions whilst minimising disruption to our fantastic team of support staff.

The F/M ratio drops from We are piloting a mentoring scheme to support PhD almost 50% at UG level students. The mentors received formal training and advice to 20% at PDRA level. from HR. The F/M ratio drops We held a postdoc networking event to address the from 20% at PDRA question, “How can the department help you at this critical level to < 10% at career stage?” and as a result, we held a very successful lecturer level. Grant Writing Workshop for PDRAs, have arranged for all new PDRAs to be allocated an academic member of staff as a mentor as they start and are continuing to hold regular PDRA networking events.

For academic We reviewed our job descriptions to ensure they were as appointments, the % general as possible, agreed to identify potential women women applying for applicants and contact them informally to ensure they jobs is too low. are aware of our positions. As a direct result of our new approach, we have recruited the first two female lecturers in the Inorganic and Materials section since the appointment of Professor Claire Carmalt in 1998!

The F/M ratio drops Our PhD representatives organised a highly successful Research Open Day in June this from around 50% at year to showcase the wide range of exciting research programmes in the department. undergraduate level to Events included open lab sessions, short PhD presentations, posters and a social ~40% at PhD level. event. As a result of its success, we will be holding a Research Open Day annually from now on, albeit earlier in the year to encourage attendance by all our undergraduates.

Athena SWAN team Helen Fielding (chair), Claire Carmalt (HoD), Tom Sheppard (data), Dewi Lewis (UGs), Tracey Clarke (PDRAs), Lorena Ruiz-Perez (PDRAs), Vijay Chudasama (mentoring), Nicola Phillips (secretary; staff data; P&R, HR), Jadranka Butorac (PG data & mentoring), Mike Kelly (Secretary, UG data), Senio Campos de Souza (PhD student), Eva Liatsi-Douvitsa (PhD student).

UCL Chemistry NEWSLETTER 23 RESEARCH HIGHLIGHTS

New Comprehensive overview of Modern Developments in Catalysis Published

HARWELL, OXFORD - The UK Catalysis Hub has collaborated to publish a book titled, “Modern developments in Catalysis”. The book is a series of chapters reviewing on the present state of catalysis research. Chapters focus on the breadth of the field of catalysis including biocatalysis, homogenous and heterogeneous catalysis, operando and in situ techniques, modelling and theoretical studies including life cycle analysis. The book sets out to explain to a reader interested in chemistry, the cutting-edge topics in the important field of catalysis.

Why a book on catalysis? Catalysis is an important process that underpins everyday life for many of us. Without catalysis most of the manufactured goods and many food-stuffs would not be possible. The contribution of catalysis to manufacturing is almost 40% of global GDP, making development and innovation within the field integral to industry. This book highlights the latest concepts in a number of key areas and includes many powerful examples of how catalysis can impact society and also how catalysis science is making use of the most advanced capabilities and techniques to shed light on how catalytic processes work.

Modern Developments in Catalysis provides a review of evolving research and practise in catalysis, focussing on five main themes: catalysis design, environmental catalysis, catalysis and energy, chemical transformation and biocatalysis and biotransformations.

Topics range from complex reactions to the intricacies of catalyst preparation for supported nanoparticles, with nine chapters which illustrate the challenges facing catalytic sciences and the directions in which the field is progressing.

Edited by world renown academics in catalysis and leaders of the UK Hub, this book provides insight into one of the most important areas of modern chemistry – it represents a unique learning opportunity for students and professionals studying and working towards speeding-up, improving and increasing the rate of catalytic reactions in science and industry.

Professor Rutger A van Santen of Eindhoven University of Technology said of the book, “The book has been written at the level of chemistry and chemical engineering graduate students. It provides a very accessible and useful guide to those who are interested in current state of the art and applications of catalytic science.”

Professor Michael Bowker of Cardiff University said of the book, “The world is changing fast, and so is catalysis. This book focuses on new developments in the field relating very much to the themes of sustainability, atom efficiency and the environment. This, together with coverage of the wide range of catalysis, from metal nanoparticles to enzyme core synthesis, and considering frontier developments in operand/in-situ experimental methods, makes it an important read for practitioners in the field.”

Each chapter was written by research associates working on Catalysis Hub projects and representing universities across the country. The book was edited by the theme leaders of the Catalysis Hub with input from Paul Collier (Johnson Matthey) to give an industrial perspective. This book is sold at major bookstores at £115.

More information on the book can be found at: http://www.worldscientific.com/worldscibooks/10.1142/q0035

24 UCL Chemistry NEWSLETTER RESEARCH HIGHLIGHTS

Carbon outperforms platinum in electrocatalysis, and offers new scope for cost-efficient battery power - from mobile phones to smart grids

Carbon usually plays a “supportive” role to platinum in many catalytic processes, particularly in electrode structures of fuel cells and batteries. Even so, platinum particles often “wander off” their anchored positions, causing severe degradation and adding further cost to the already costly device.

Can carbon rise to the catalytic challenges without platinum? By closely coupled fundamental simulations and innovative synthesis, researchers from Prof. Xiao Guo’s group have developed a cost-effective and durable electrocatalyst, based on a phosphorus-nitrogen co-doped graphene framework (PNGF) – the results have just been published in Energy and Environmental Science [Chai et al, Energy and Environmental Science, 2017, 10, 1186-1195; DOI: 10.1039/C6EE03446B ].

Simulations pin-point effective sites for catalysis, and synthesis approaches were tuned to enrich such sites. The carbon- based catalyst not only outperforms platinum in the oxygen reduction reaction (ORR), a key step in the power supply of fuel cells and metal-air batteries, but also the state-of-the-art iridium-based catalyst for the reversible oxygen evolution reaction (OER) (see figure). This highly efficient bifunctionality is beyond the reach of either of the more expensive noble-metal counterparts. Moreover, without foreign particles to support, the catalyst is much more stable and durable.

This design strategy, synthesis approach and the efficient catalyst offer great opportunities for the development of highly cost-effective electrochemical devices across a range of scales in mobile phones, lap-tops, electric vehicles and even the electricity grids.

For further information, please contact: [email protected].

NSF Award

Professor Peter Coveney at the Centre for Computational Science has won an NSF Award (award number NSF 1713749), as part of the following solicitation: https://www.nsf.gov/pubs/2017/nsf17542/ nsf17542.htm

The project is a collaboration with former CCS post-doc Professor Shantenu Jha of Rutgers University, USA, who leads the partnership. This award adds further substantial fire-power to our supercomputing efforts. The primary partners on this award are Rutgers, the UCL Centre for Computational Science, Indiana University and Rice University, Houston.

The title of the Award is “More Power to the Many: Scalable Ensemble-based Simulations and Data Analysis”. Its duration is two years with effect from 1 May 2017. The grant comes with 128M core hours of time on NCSA’s Blue Waters, a Cray XE/XK hybrid machine composed of AMD 6276 “Interlagos” processors (nominal clock speed of at least 2.3 GHz) and NVIDIA GK110 (K20X) “Kepler” accelerators all connected by the Cray Gemini torus interconnect.

It boasts nearly 400,00 cores (27,000 nodes) of varying types, of which over 4,000 are equipped with GPUs. Its overall performance weighs in at around 13.4 petaflops.

Our own work on this system will revolve primarily, though not exclusively, around applications and developments of our binding affinity calculator tools and services.

UCL Chemistry NEWSLETTER 25 RESEARCH HIGHLIGHTS

Secondly, in a paper in Nature Communications2, the On the Origins of Powner group resolved the long-standing (apparent) Life on Earth mutual incompatibility of purine and pyrimidine nucleotide synthesis. RNA structure, and biological information transfer, is based upon the molecular recognition The origin of life is one of the most fascinating unresolved between two classes of nucleotides, purines and challenges in science; understanding the transition from pyrimidines, however until now all RNA syntheses have simple reactions to living cells perhaps represents the only accounted separately of one class alone. For the first most significant challenge in the chemical sciences. time the Powner group recognized that 8-oxo-purines share an underlying structural unity with pyrimidines and A central problem that must be resolved en route to they exploited this equivalence to develop, through a biology is the origins information transfer. In biology single set of congruent reactions, a divergent synthesis nucleotides (DNA & RNA) underpin information transfer of pyrimidine and purine nucleotides2. and, consequently, Darwinian evolution, inheritance, replication, and genetically encoded catalysis. RNAs In a third related advance, published in Nature Chemistry, dual informational and catalytic roles in extant life is a the Powner group has found that a simple network of ‘smoking gun’ for its early evolutionary dominance of chemical reactions, that could have occurred on the early biochemistry, and the ancient and universal evolutionary Earth, can be use to build each of the components of a history of non-coding RNAs (such as 16S and 23S universally conserved pathway of central metabolism, ribosomal genes, tRNA genes and nucleotide binding triose glycolysis3. Metabolism is essential to build the domains) across both microbial and non-microbial taxa component of biology and harvest energy in a cell. means that RNAs preserves the oldest and most highly Triose glycolysis, like RNA and the genetic code, is conserved traits in biology. These ancient RNAs are universally conserved and therefore one of the oldest biochemical signatures (or molecular fossils) that were pathways in biology. present 3.5 billion years ago in the Last Universal Common Ancestor of all life on Earth, but although This work was supported by an Engineering & Physical RNAs origins have been under investigation for more Science Research Council Fellowship and grants from than 60 years there is still much more to learn. the Simons Foundation, the Leverhulme Trust, and the Origins of Life Challenge, as well as a UCL Impact Award and a UCL Excellence Fellowship. Dr. Harry K. Lonsdale is also, posthumously, thanked for supporting this work.

Chemistry Authors: Saidul Islam, Arif Nikmal, Shaun Stairs, Adam Coggins, Kreso Buĉar, Matthew Powner External Collaborators: Shao-Liang Zheng (Harvard University), Jack Szostak (Massechusetts General Hostipal, Harvard Medical School & Harvard University)

References: Image: Matthew Powner, UCL 1. Islam, S.; Buĉar, D.-K.; Powner, M. W. Nat. Chem. 2017, 9, 584–589. This year at UCL the Powner Group have made several major steps towards unraveling RNAs ancient history. 2. Stairs S.; Nikmal, A.; Buĉar, D.-K.; Zheng, S.-L.; Firstly, in a paper in Nature Chemistry1, the Powner Szostak, J. W.; Powner, M. W. Nat. Commun. 2017, 8, group resolved multiple major selectivity issues inherent 15270. to nucleotide synthesis. They demonstrated that the chemical selection of not only natural RNA, but also 3. Coggins, A. J.; Powner, M. W. Nat. Chem. 2017, 9, proteinogenic amino acids, is controlled by the sequential 310–317. crystallization of their essential precursors, even from highly complex aqueous mixtures. Remarkably, they observed that the order of crystallization exactly predicated the essential order of reactions required to selectively build the canonical nucleotides for these complex mixtures.1.

26 UCL Chemistry NEWSLETTER RESEARCH HIGHLIGHTS

Dr Rob Bell elected running of the Commission, and for organising the email discussions through which we mostly conduct our Chair of International deliberations. Trying to moderate the views of 15 other research scientists is not always the most serene of Zeolite Structure tasks: there are usually more than 15 opinions offered! Commission We are kept busy by the continual flow of applications from zeolite scientists wanting to get their new structures Zeolites are fascinating porous validated and approved, but there is great satisfaction materials, used in many areas of is seeing the ingenuity of other scientsts and the industry from washing power, in which they are used remarkable zeolites which are being made. The work as water softening agents, to petrochemicals, where shows no sign of slackening off any time soon - the they are responsible for the catalytic cracking of crude theoretical number of possible zeolites is infinite. oil into petroleum fractions. Recently they have found In the pictures below we can see three of the most further uses in diverse areas such as electronics and recently synthesised zeolites which have been approved, refrigeration. Annual production of zeolites, both illustrating the great diversity and beauty of their crystal naturally occurring and synthetic, is in the millions of structures. tonnes.

The key properties of zeolites are that they have small pores and cages, which molecules can pass through, and they are also crystals, which means that a particular zeolite will have pores all of exactly the same size. The reason for this regularity is that, in terms of chemical structure, they are composed of tetrahedral units of atoms, which can only fit together in certain patterns (see figure right). A zeolite is defined by its “framework type” – the crystal structure formed by the lined tetrahedra which defines the size and shape of the pores and cages. Currently 235 framework types are known to exist, though this is continually increasing as researchers learn how to produce new synthetic zeolites. Each framework type has a three-letter structure code which uniquely identifies it, for instance FAU for faujasite and MFI for ZSM-5.

Scientific research into zeolites is supported by the International Zeolite Association (IZA), an organisation that holds major international conferences on zeolites, and also carries out important work on behalf of the scientific community. One of its most important roles is as the guardian of the official “zeolite database”, a repository of all the known zeolite frameworks. This is overseen by the Structure Commission of the IZA, a committee of 16 experts on zeolite structure and chemistry. The Commission has authority from IUPAC to approve new frameworks and issue the structure codes, which are used in systematic chemical formulae of zeolites. New zeolites are only accepted into the database after thorough scrutiny by the Commission, which takes into account the porous behaviour of the material, as well as the quality and reliability of the crystal structure determination.

After six years serving on the Commission I was elected to the chair in 2016, and am responsible for the smooth

UCL Chemistry NEWSLETTER 27 RESEARCH HIGHLIGHTS

Figure 1. Hexagonal carbon nitride nanosheets gently Radiant 2-dimensional dissolve into solution over time (left), producing luminescent, carbon nitride nanomaterials defect free 2d-nanosheets (right).

2-dimesional (2D) nanomaterials that could be used to create light emitting diodes (LEDs) or solar cells have been made through the simple, but unconventional, method of spontaneous dissolution.

This new industrially-scalable approach, published in Nano Letters, produces solutions containing fluorescent solutes that are defect-free, hexagonally-shaped 2d nanosheets (See Figure 1). The method is in stark contrast to the standard alternatives, which rely on on high energy input to delaminate layered materials, to produce meta- stable dispersions of fragments of 2d materials rather than pristine nanosheets. State of the Art Laboratory to The team from the Departments of Chemistry and Physics & Astronomy at UCL, the University of Bristol, Imperial Aid Medical Research College London and the École Polytechnique Fédérale de Lausanne, used advanced atomic force microscopy and transmission electron microscopy to investigate the structure 2D nanomaterials.

“Our method is surprising but incredibly simple. When we added certain solvents the layers of the carbon nitride simply floated off into solution. The process is very gentle so that the hexagonal shape of layers is maintained. Our high resolution TEM shows there are no visible defects across entire sheets.” said Dr Thomas Miller (UCL Chemistry).

In the study, funded by the European Union’s Graphene Flagship and the Engineering and Physical Sciences Research Council, the scientists showed that when these solutions were illuminated with UV light, they glowed (luminesced) with a distinctive colour. They went on to The Kathleen Lonsdale Building (KLB) is now home to discover that this colour could be tuned by controlling the a state-of-the-art Good Manufacturing Practice (GMP) number of nanosheets stacked on top of one another. laboratory. “As we gain increased control over the dimensionality The new laboratory is part of the first phase in the wider and functionality of carbon nitride nanomaterials we can refurbishment of KLB, one of the major projects within the begin to carefully tune their properties. This increases Transforming UCL programme. The programme will see their potential for application in emerging technologies an overall investment, into the UCL estate, of £1.2 billion such as photocatalysis.” explained Prof. Paul McMillan over the next 10 years. (UCL Chemistry). The laboratory will support the latest techniques for UCL Business PLC (UCLB), the technology the medical imaging of diseases, such as cancer and commercialisation company of UCL has patented this dementias. Medical imaging techniques encompass the research and will be supporting the commercialisation fields of radiology, nuclear medicine and optical imaging process. and image-guided intervention. These processes enable http://pubs.acs.org/doi/10.1021/acs.nanolett.7b01353 the visualisation of body parts, tissues or organs for use in clinical diagnosis, treatment and disease monitoring. by Thomas S. Miller, Theo M. Suter, Andrew M. Telford, Loren Picco, Oliver D. Payton, Freddie Russell-Pavier, The Biomedical Research Centre (BRC) funded facility Patrick L. Cullen, Andrea Sella, Milo S. P. Shaffer, Jenny has been designed for the production of Positron Emission Nelson, Vasiliki Tileli, Paul F. McMillan and Christopher Tomography (PET) tracers, an advanced medical imaging A. Howard.

28 UCL Chemistry NEWSLETTER RESEARCH HIGHLIGHTS

technique that relies on the use of short-lived radioactive tracers to detect and map how a disease progresses. The tracers will be used for imaging of patients at University College Hospital Institute of Nuclear Medicine and the UCL Cancer Institute.

The new GMP lab will enable the on-demand production of the tracers which will increase the research capabilities for PET studies at UCL and University College London Hospitals (UCLH), including the diagnostic imaging of patients. The lab will also allow production of tracers for hyperpolarized MRI, an experimental imaging technique that will be trialed with cancer patients at the UCLH Macmillan Cancer Centre.

“The new GMP lab is very exciting as it opens up so many possibilities for medical imaging on campus and allows tracers to be tested in humans for the very first time.” - Professor Erik Arstad, Director of the new facility and BRC researcher.

The Kathleen Lonsdale Building is being refurbished to improve the teaching, research and social learning spaces. The existing building was constructed in 1915 as the first purpose-built Chemistry building for UCL. Over the years it has been adapted to suit different faculties and as a result has become somewhat fragmented, with complex circulation routes on upper levels.

The new building will fully accommodate the Earth Sciences Department, which has previously been split between different locations, as well as Chemistry (including Radiochemistry & Computational Chemistry) and AstroPhysics.

In addition, the work will maintain and refurbish the existing office and laboratory spaces. New open plan offices, shared studios, and a variety of break out spaces are also incorporated within the designs.

The refurbishments to the building are being conducted in a number of phases with completion expected towards the end of 2017.

Images courtesy of Professor Erik Arstad.

UCL Chemistry NEWSLETTER 29 GRANTS AND AWARDS

Grants and Awards TASK-FARMING PARALLELISATION OF PYTHON-CHEMSHELL FOR NANOMATERIALS LOW COST HIGH ENERGY DENSITY ANODE £42,127 FOR STATIONARY ENERGY STORAGE EPSRC PI: Dr Alexey Sokols £98,782 05-Aug-2016 EPSRC PI: Professor Jawwad Darr 01-June-2016 FRACTAL SILICON-NANOWIRE MATERIALS FOR NEXT GENERATION OPTICAL DEVICES APPLICATION OF DRUG BINDING AFFINITY £12,000 CALCULATOR IN PHARMACEUTICAL DRUG ROYAL SOCIETY PI: Dr Giorgio Volpe SCREENING 01-Sep-16 £17,924 JANSSEN CILAG JEOL-EPSRC CENTRE OF EXCELLENCE IN PI: Prof Peter Coveney 01-June-2016 LIQUID STATE ELECTRON MICROSCOPY £430,450 BRC FUNDING TOWARDS THE STEVENAGE JEOL (UK) LTD BIOSCIENCE CATALYST PI: Prof Giuseppe Battaglia 01-Sept-2016 £65,563 NIHR BRC UCLH PI: Dr Vijay Chudasama MULTI-SCALE ANALYSIS FOR FACILITIES 08-June-16 FOR ENRGY STORAGE (MANIFEST) £75,593 LIGHT INDUCED RESONANT ELECTRON EPSRC EMISSION PROPRTIES OF PI: Prof Xiao Guo 30-Sept-2016 BIOCHROMOPHORE ANIONS £11,780 ENZYME CASCADES AND SYNTHETIC BIOLOGY ROYAL SOCIETY PI: Prof Helen Fielding ROUTES TO NON-NATURAL ALKALOIDS 01-Jul-16 £231,763 BBSRC DEVELOPING THE MCTDH QUANTUM PI: Prof Helen Hailes 01-Oct-2016 DYNAMICS CODE: ACCURATE DIRECT DYNAMICS OF NON-ADIABATIC PHENOMENA SYNTHESIS OF THE RNA POLYMERASE £3,372 INHIBITOR TAGETITOXIN EPSRC £389,768 PI: Prof Graham Worth EPSRC 01-July-2016 PI: Dr Michael Porter 01-Oct-2016 CCPQ: QUANTUM DYNAMICS IN ATOMIC, MOLECULAR AND OPTICAL PHYSICS (ISO)ALLOXAZINE INCORPORATING £89,023 ELECTRODES AS HIGH-PERFORMANCE EPSRC PI: Prof Graham Worth ORGANIC ENERGY STORAGE MATERIALS 01-July-2016 £34,746 EPSRC PHOTOELECTRON SPECTROSCOPY IN A PI: Dr David Scanlon 01-Oct-2016 LIQUID MICROJET: UNRAVELLING THE EXCITED STATE DYNAMICS OF PHOTOACTIVE PROTEINS COMPBIOMED: A CENTRE OF EXCELLENCE £101,427 IN COMPUTATIONAL BIOMEDICINE EPSRSC £647,467 PI: Prof Graham Worth EUROPEAN COMMISSION 01-July-2016 PI: Prof Peter Coveney 01-Oct-2016 SUSTAINABLE HYDROTHERMAL SYNTHESIS ROUTES FOR NANOCRYSTALLINE FERRITES £11,940 ROYAL SOCIETY PI: Professor Jawwad Darr 29-July-2016

30 UCL Chemistry NEWSLETTER GRANTS AND AWARDS

BILATERAL NSF/BIO-BBSRC: SYNTHETIC SURFACE AND INTERFACE TOOLKIT FOR DNA NANOPORES FOR SELECTIVE THE MATERIALS CHEMISTRY COMMUNITY TRANSMEMBRANE TRANSPORT £603,347 £409,437 EPSRC BBSRC PI: Dr Scott Woodley PI: Prof Stefan Howorka 01-June-2017 14-Oct-2016 CARBONICE: CARBON-ICE COMPOSITE MAGNAPHARM: MAGNETICCONTROL OF MATERIALS: WATER STRUCTURE AND POLYMORPHISM IN PHARMACEUTICAL DYNAMICS AT THE CARBON INTERFACE COMPOUNDS £1,499,855 £563,005 EUROPEAN COMMISSION EUROPEAN COMMISSION PI: Dr Christoph Salzmann PI: Prof Sarah (Sally) Price FRS 01-June-2017 01-Jan-2017 IL-12 BASED INTRA - TUMORAL A 700 MHZ BROADBAND CRYOPROBE AND IMMUNOTHERAPY NMR SPECTROMETER AT UCL CHEMISTRY £65,000 £120,000 BIOCOMPATIBLES UK LTD SIMONS FOUNDATION PI: Prof Giuseppe Battaglia PI: Dr Matthew Powner 01-June-2017 01-Mar-2017 PRECISION DELIVERY OF AIR ABATEMENT PAINTS: CATALYTIC STUDIES CHEMOTHERAPEUTICS ACROSS THE MEASURING THE AIR ABATEMENT PROPERTIES BLOOD-BRAIN BARRIER OF FUNCTIONAL PAINTS TO DEMONSTRATE £327,500 PROOF-OF-CONCEPT CHILDREN WITH CANCER UK £2,000 PI: Prof Giuseppe Battaglia AKZO NOBEL COATINGS INTERNATIONAL B.V 15-June-2017 PI: Prof Andrew Beale 01-Mar-2017 EFFICIENT MODELLING AND VALIDATION OF CRYPTIC PROTEIN BINDING SITES FOR CONTROLLED ROLLING BEHAVIOR DRUG DISCOVERY OF MAGNETIC DROPLETS ON £272,316 SUPERHYDROPHOBIC SURFACE EPSRC £12,000 PI: Prof Francesco Luigi Gervasio ROYAL SOCIETY 01-July-2017 PI: Prof Ivan Parkin 31-Mar-2017 AN ITERATIVE APPROACH TO THE SYNTHESIS OF POLYOLS TOWARDS CONTROLLING BACTERIAL SOCIAL £117,764 BEHAVIOURS IN HOST LIKE HABITATS LEVERHULME TRUST £99,626 PI: Dr Tom Sheppard WELLCOME TRUST 01-Sep-2017 PI: Dr Giorgio Volpe 01-Apr-2017 NEW CHEMICAL TOOLS TO PROBE LIPID BILAYER THICKNESS IN LIVE CELLS UNDERPINNING MULTI-USER EQUIPMENT £149,186 AT UCL LEVERHULME TRUST £700,000 PI: Prof Stefan Howorka EPSRC 02-Oct-2017 PI: Dr Robert Palgrave 01-Apr-2017

A 700 MHZ BROADBAND CRYOPROBE AND NMR SPECTROMETER AT UCL CHEMISTRY £787,000 EPSRC PI: Dr Abil Aliev 01-June-2017

UCL Chemistry NEWSLETTER 31 PUBLICATIONS

Abraham MH, Acree WE Jr., Anwar A, Rehman IU, Darr JA, Bear JC, Patrick PS, Casson A, Southern P, Descriptors for ferrocene and some Low-Temperature Synthesis and Surface Lin F-Y, Powell MJ, Pankhurst QA, Kalber T, substituted ferrocenes. J. Mol. Liquids, Modification of High Surface Area Lythgoe M, Parkin IP, Mayes AG, Magnetic (2017), 232, 325 – 331. Calcium Hydroxyapatite Nanorods hyperthermia controlled drug release Incorporating Organofunctionalized in the GI tract: solving the problem of Abraham MH, Acree WE Jr., Surfaces, Journal of Physical Chemistry C, detection, Scientific Reports, (2016), 6 Gas-solvent and water-solvent partition (2016), 120, 51, 29069 – 29076 of trans-stilbene at 298 K. J. Mol. Liquids, Bechinger C, Di Leonardo R, Löwen H, (2017), 238, 58 – 61. Aparicio-Anglès X, de Leeuw NH, Modeling Reichhardt C, Volpe G, Volpe G, of complex interfaces: Gadolinium-doped Active Particles in Complex and Acree WE Jr., Bowen KC, Horton MY, ceria in contact with yttria-stabilized Crowded Environments, Reviews of Abraham MH, Computation of Abraham zirconia, Journal of the American Ceramic Modern Physics, (2016), 88 model solute descriptors for 3-methyl- Society, (2017), 100, 7, 3329 –3339 4-nitrobenzoic acid from measured Beekmeyer R, Parkes MA, Ridgwell L, Riley J, solubility data, Phys. Chem. Liq., (2017), Armer CF, Luebke M, Reddy MV, Darr JA, Chen J, Feringa BL, Kerridge A, Fielding H, 55, 482 – 489. Li X, Lowe A, Phase change effect on the Unravelling the electronic structure and structural and electrochemical behaviour dynamics of an isolated molecular rotary Affaticati PE, Dai S-B, Payongsri P, Hailes HC, of pure and doped vanadium pentoxide as motor in the gas-phase, Chemical Science, Tittmann K, Dalby PA, Structural Analysis positive electrodes for lithium ion batteries, (2017), DOI: 10.1039/C7SC01997A of an Evolved Transketolase Reveals Journal of Power Sources, (2017), 353, 40 –50 Divergent Binding Modes, Scientific Bell RG, Sugden IJ, Plant DF, Reports, (2016), 6 Bahlawane N, Blackman C, Peter AP, Impact scenarios in boron carbide: A Special Section on Nanocomposites: A computational study, Journal of Al-Hamdani YS, Alfe DA, von Lilienfeld OA, Synthesis and Optical Related Theoretical and Computational Chemistry, uning dissociation using Michaelides A, T Applications, Journal of Nanoscience and (2016), DOI: 10.1142/S0219633616500553 isoelectronically doped graphene and Nanotechnology, (2016), 16, 9, 10067 – 10068 hexagonal boron nitride: water and other Berardo E, Kaplan F, Bhaskaran-Nair K, small molecules, Journal of Chemical Barrera M, Hart E, Horton MY, Higgins E, Shelton WA, van Setten MJ, Kowalski K, 144, Physics, (2016), 154706 Cheeran S, Little GE, Singleton H, Zwijnenburg MA, Benchmarking the Calhoon D, Gillispie K, Khalil F, Williams Fundamental Electronic Properties of Althorpe SC, Beniwal V, Bolhuis PG, Brandão J, R, Acree WE Jr., Abraham MH, Solubility small TiO 2 Nanoclusters by GW and Clary DC, Ellis J, Fang W, Glowacki DR, of sorbic acid in organic mono-solvents: Coupled Cluster Theory Calculations, Hele TJH, Jónsson H, Kästner J, Makri N, calculation of Abraham model solute Journal of Chemical Theory and Computation, Manolopoulos DE, McKemmish LK, descriptors from measured solubility data, (2017), 13, 8, 3814–3828 Menzl G, Miller TF, Miller WH, Pollak E, Phys. Chem. Liquids, accepted for publication Rampino S, Richardson JO, Richter M, Roy Chowdhury P, Shalashilin D, Tennyson Bashir S, Idriss H, Mechanistic study of the Bersani M, Gupta K, Mishra AK, Lanza R, J, Welsch R, Fundamentals: General role of Au, Pd and Au-Pd on the surface Taylor SFR, Islam H-U, Hollingsworth N, Darr JA, discussion, Faraday Discussions, (2016), reactions of ethanol over TiO2 in the dark Hardacre C, de Leeuw NH, Combined EXAFS, XRD, DRIFTS, and DFT 195, 139 – 169 and under photo-excitation, Catalysis Study of Nano Copper Based Catalysts for Science and Technology, (2017), DOI: CO2 Hydrogenation, Altwaijry NA, Baron M, Wright DW, 10.1039/C7CY00961E ACS Catalysis, (2016), Coveney PV, Townsend-Nicholson A, 6, 9, 5823 – 5833 An Ensemble-Based Protocol for the Bass KK, Estergreen L, Savory CN, Computational Prediction of Helix-Helix Buckeridge J, Scanlon DO, Djurovich PI, Bhati AP, Wan S, Wright DW, Coveney PV, Interactions in G Protein-Coupled Bradforth SE, Thompson ME, Melot BC, Rapid, Accurate, Precise, and Reliable Receptors using Coarse-Grained Molecular Vibronic Structure in Room Temperature Relative Free Energy Prediction Using Dynamics, Journal of Chemical Theory and Photoluminescence of the Halide Ensemble Based Thermodynamic Computation, (2017), 13, 5, 2254 – 2270 Perovskite Cs3Bi2Br9, Inorganic Chemistry, Integration, Journal of Chemical Theory (2017), 56, 1, 42 – 45 and Computation, (2017), 13, 1, 210 –222 Anderson JC, Campbell IB, Campos S, Reid IH, Rundell CD, Shannon J, Tizzard GJ, Batmunkh M, Macdonald T, Peveler W, Birkett M, Savory CN, Fioretti AN, Reductive conjugate addition nitro-Mannich Bati A, Claire J Carmalt CJC, Parkin I, Thompson P, Muryn CA, Weerakkody AD, route for the stereoselective synthesis Shapter JG, Plasmonic Gold Nanostars Mitrovic IZ, Hall S, Treharne R, Dhanak VR, of 1,2,3,4-tetrahydroquinoxalines,Journal Incorporated into High-Efficiency Scanlon DO, Zakutayev A, Veal TD, of the Chemical Society, Perkin Transactions Perovskite Solar Cells, Annali di Chimica, Atypically small temperature-dependence 1, (2016), 14, 35, 8270 (2017), DOI: 10.1002/cssc.201701056 of the direct band gap in the metastable semiconductor copper nitride Cu3N, Anderson JC, Campbell IB, Campos S, Batmunkh M, Macdonald TJ, Shearer CJ, Physical Review B, (2017), 95, 11 Rundell CD, Shannon J, Tizzard GJ, Bat-Erdene M, Wang Y, Biggs MJ, Parkin IP, Base-Controlled Diastereoselective Nann T, Shapter JG, Blackburn B, Hassan I, Zhang C, Blackman Synthesis of Either anti- or syn-β- Carbon Nanotubes in TiO 2 Nanofiber C, Holt K, Carmalt C, Aerosol assisted Aminonitriles,Organic Letters, (2017), DOI: Photoelectrodes for High-Performance chemical vapour deposition synthesis 10.1021/acs.orglett.7b00679 Perovskite Solar Cells, Advanced Science, of Copper(I) Oxide Thin Films for CO2 (2017), 4, 4, 1600504 – 1600504 reduction photocatalysis, Journal of Anderson JC, Grounds H, Jathoul AP, Nanoscience and Nanotechnology, (2016), Murray JAH, Pacman SJ, Tisi L, Base- Baud D, Jeffries JWE, Moody TS, Ward JM, 16, 9, 10112 – 10116 Controlled Diastereoselective A Hailes HC, A metagenomics approach Convergent Synthesis and Optical for new biocatalyst discovery: Blackburn B, Powell MJ, Knapp CE, Bear JC, Properties of Near-infrared Emitting application to transaminases and the Carmalt CJ, Parkin IP,[{VOCl2(CH2(COOEt) Bioluminescent Infra-luciferins, Rsc synthesis of allylic amines, Green (2))}(4)] as a molecular precursor for 7, Advances, (2017), Article 3975 Chemistry, (2017), 19, 4, 1134 –1143 thermochromic monoclinic VO2 thin films and nanoparticles, Journal of Materials Annanouch FE, Roso S, Haddi Z, Vallejos S, Bauer D, Roberts AJ, Matsumi N, Darr JA, Chemistry C, (2016), 4, 44, 10453 –10463 Umek P, Bittencourt C, Blackman C, Vilic Nano-sized Mo- and Nb-doped TiO2 as T, Llobet E, P-Type PdO nanoparticles anode materials for high energy and supported on n-type WO3 nanoneedles Blackburn BJ, Drosos C, Brett DB, Parkes MA, high power hybrid Li-ion capacitors, In situ mass for hydrogen sensing, Thin Solid Films, Carmalt CJ, Parkin IP, Nanotechnology, (2017), 28, 19 spectrometry analysis of chemical (2016), 618, 238 – 245 vapour deposition of TiO2 thin films to study gas phase mechanisms, Rsc Advances, (2016), 6, 113, 111797–111805

32 UCL Chemistry NEWSLETTER PUBLICATIONS

Bochenkova AV, Mooney CRS, Parkes MA, Chadwick NP, Kafizas A, Quesada-Cabrera R, Metal-Organic Framework, Journal of the Woodhouse JL, Zhang L, Lewin R, Ward Sotelo-Vazquez C, Bawaked SM, Mokhtar M, American Chemical Society, (2017), 139, JM, Hailes HC, Andersen LH, Fielding Al Thabaiti SA, Obaid AY, Basahel SN, 15, 5397–5404 HH, Mechanism of resonant electron Durrant JR, Carmalt CJ, Parkin IP, emission from the deprotonated GFP Ultraviolet Radiation Induced Dopant Cockcroft JK, Buanz ABM, Ntantou A, Price chromophore and its biomimetics, Loss in a TiO2 Photocatalyst, ACS LS, Tocher DA, Vickers M, Lancaster RW, Chemical Science, (2017), 8, 4, 3154– 3163 Catalysis, (2017), 7, 2, 1485 –1490, Polymorphism in 2-Chlorobenzamide: Run of the Mill or Not?, Crystal Growth and Boldrin D, Knight K, Wills AS, Orbital Chadwick NP, Sathasivam S, Design, (2016), 16, 11, 6144 – 6147 frustration in the S=1/2 kagome magnet Sotelo-Vazquez C, Bawaked SM, Mokhtar vesignieite, BaCu3V2O8(OH)(2), Journal M, Basahel SN, Obaid AY, Carmalt CJ, Cockcroft JK, Ghosh RE, Shephard JJ, of Materials Chemistry C, (2016), 4, 43, Parkin IP, Dopant stability in Singh A, Williams JH, Investigation of 10315 –10322 multifunctional doped TiO 2 ‘s under the phase behaviour of the 1 : 1 adduct environmental UVA exposure, Environ. of mesitylene and hexafluorobenzene, Brazdova V, Bowler DR, Sinthiptharakoon K, Sci.: Nano, (2017), 2017, 5, 1108 –1113 CrystEngComm, (2017), 19, 7, 1019–1023 Studer P, Rahnejat A, Curson NJ, Schofield SR, Fisher AJ, Exact location of dopants Chai G-L, Qiu K, Qiao M, Titirici M-M, Shang below the Si(001): H surface from C, Guo Z,Active sites engineering leads to Collier TA, Nash A, Birch HL, de Leeuw NH, scanning tunneling microscopy and exceptional ORR and OER bifunctionality Intra-molecular lysine-arginine derived advanced glycation end-product cross- density functional theory, Physical in P,N Co-doped graphene frameworks, linking in Type I collagen: A molecular Review B, (2017), 95, 7 Energy and Environmental Science, (2017), dynamics simulation study, 10, 5, 1186 –1195 Biophysical Chemistry, (2016), 218, 4 – 46 Breeson AC, Sankar G, Goh GKL, Palgrave RG, Rutile to anatase phase transition Chai G-L, Shevlin SA, Guo Z, Nitrogen- induced by N doping in highly oriented Mediated Graphene Oxide Enables Comitani F, Rossi K, Ceriotti M, Sanz ME, Mapping the conformational TiO2 films, Physical Chemistry Chemical Highly Efficient Proton Transfer, Molteni C, free energy of aspartic acid in the gas Physics, (2016), 18, 35, 24722 –24728 Scientific Reports, (2017), 7, 1, 5213 –5213 phase and in aqueous solution, Journal of Briggs R, Daisenberger D, Lord OT, Chapman JBJ, Kimmel AV, Duffy DM, Novel Chemical Physics, (2017), 146, 14 Salamat A, Bailey E, Walter MJ, McMillan PF high-temperature ferroelectric domain High-pressure melting behavior of tin up morphology in PbTiO3 ultrathin films, Connolly E, Reeves P, Boldrin D, Wills AS, to 105 GPa, Physical Review B, (2017), 95, 5 Physical Chemistry Chemical Physics, Synthesis, structure and magnetism (2017), 19, 6, 4243 –4250 of the new S=12 kagome magnet Brown OC, Baguña Torres J, Holt KB, NH4Cu2.5V2O7(OH)2.H2O, (2016) Blower PJ, Went MJ, Copper complexes Chen J, Schusteritsch G, Pickard CJ, with dissymmetrically substituted bis Salzmann CG, Michaelides A, Double- Corpinot MK, Guo R, Tocher DA, Buanz ABM, (thiosemicarbazone) ligands as a basis layer ice from first principles, Physical Gaisford S, Price SL, Bučar DK, Are for PET radiopharmaceuticals: control Review B, (2017), 95, 9 oxygen and sulfur atoms structurally of redox potential and lipophilicity, equivalent in organic crystals?, Crystal Dalton Transactions, (2017), DOI: 10.1039/ Chen W, Kinsler VA, Macmillan D, Di WL, Growth and Design, (2016), 17, 2, 827 – 833 c7dt02008b Tissue kallikrein inhibitors based on the sunflower trypsin inhibitor scaffold - A Cortés E, Huidobro PA, Sinclair HG, Bučar D-K, Engineering Molecular potential therapeutic intervention for Guldbrand S, Peveler WJ, Davies T, Crystals: Backbreaking, yet Gratifying, skin diseases, PLoS ONE, (2016), 11, 11 Parrinello S, Görlitz F, Dunsby C, Neil MA, Crystal Growth and Design, (2017), 17, 6, Sivan Y, Parkin IP, French PM, Maier SA, 2913–2918 Chierico L, Rizzello L, Guan L, Joseph AS, Plasmonic Nanoprobes for Stimulated Lewis A, Battaglia G The role of the two Emission Depletion Nanoscopy, ACS Buckeridge J, Jevdokimovs D, Catlow CRA, splice variants and extranuclear pathway Nano, (2016), 10, 11, 10454 – 10461 Sokol AA Nonstoichiometry and Weyl on Ki-67 regulation in non-cancer and fermionic behavior in TaAs, Physical cancer cells, PLoS ONE, (2017), 12, 2 Cote AS, Cormack AN, Tilocca A, Reactive Review B, (2016), 94, 18 molecular dynamics: an effective tool Choi D, Choy K-L, Novel Nanostructured for modelling the sol-gel synthesis of Cadi-Essadek A, Roldan A, de Leeuw NH, SiO2/ZrO2 Based Electrodes with bioglasses, Journal of Materials Science, Density Functional Theory Study of Ni Enhanced Electrochemical Performance (2017), 52, 15, 9006 – 9013 Clusters Supported on the ZrO2(111) for Lithium-ion Batteries, Electrochimica Surface, Fuel Cells, (2017), 17, 2, 125– 131 Acta, (2016), 218, 47–53 Côté AS, Cormack AN, Tilocca A, Influence of Calcium on the Initial Stages of the Cadi-Essadek A, Roldan A, de Leeuw NH, Chowdhury MAH, Haque MR, Ghosh S, Density functional theory study of the Sol-Gel Synthesis of Bioactive Glasses, Mobin SM, Tocher DA, Hogarth G, Richmond Journal of Physical Chemistry B, (2016), interaction of H2O, CO2 and Co with the MG, Kabir SE, Roesky HW, Reversible C-H 120, 45, 11773 – 11780 ZrO2 (111), Ni/ZrO2 (111), YSZ (111) and bond activation at a triosmium centre: Ni/YSZ (111) surfaces, Surface Science, A comparative study of the reactivity of (2016), 653, 153–162 unsaturated triosmium clusters Os-3(CO) Coveney PV, Boon JP, Succi S, Bridging (8)(mu-dppm)(mu-H)(2) and Os-3(CO) the gaps at the physics-chemistry-biology Cárdenas-Fernández M, Bawn M, Hamley- (8)(mu-dppf)(mu-H)(2) with activated interface, Philosophical Transactions A: Mathematical, Physical and Engineering Bennett C, Bharat PKV, Subrizi F, Suhaili N, alkynes, Journal of Organometallic Sciences, (2016), 2080 Ward DP, Bourdin S, Dalby A, Hailes HC, Chemistry, (2017), 836-837, 68 374, Hewitson P, Ignatova S, Kontoravdi C, Coveney PV, Leak DJ, Shah N, Sheppard TD, Ward JM, Clark RJH, Identification by Raman Dougherty ER, Highfield Lye GJ, An integrated biorefinery concept microscopy of anachronistic pigments on RR, Big data need big theory too, for conversion of sugar beet pulp into a purported Chagall nude: conservation Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, (2016), value-added chemicals and pharmaceutical consequences, Applied Physics A: Materials 374, 2080 intermediates, Faraday Discussions, (2017), Science and Processing, (2016), 122, Article 144 DOI: 10.1039/c7fd00094d Cliffe MJ, Castillo-Martinez E, Wu Y, Lee J, Cullen PL, Cox KM, Bin Subhan MK, Picco Caux M, Fina F, Irvine JTS, Idriss H, Howe Forse AC, Firth FCN, Moghadam PZ, Fairen- L, Payton OD, Buckley DJ, Miller TS, Hodge R, Impact of the annealing temperature Jimenez D, Gaultois MW, Hill JA, Magdysyuk SA, Skipper NT, Tileli V, Howard CA, Ionic on Pt/g-C3N4 structure, activity and OV, Slater B, Goodwin AL, Grey CP, Metal- solutions of two-dimensional materials, selectivity between photodegradation Organic Nanosheets Formed via Defect- Nature Chemistry, (2017), 9, 3, 244 – 249 and water splitting, Catalysis Today, Mediated Transformation of a Hafnium (2017), 287, 182 –188 UCL Chemistry NEWSLETTER 33 PUBLICATIONS

Davies ZL, Wills AS, Generation of Estandarte AK, Botchway S, Lynch C, Ganose AM, Savory CN, Scanlon DO, Basis Vectors for Magnetic Structures Yusuf M, Robinson I, The use of DAPI Electronic and Defect Properties of and Displacement Modes, Advances in fluorescence lifetime imaging for (CH 3 NH 3 ) 2 Pb(SCN) 2 I 2 Analogues Condensed Matter Physics, (2016), Article investigating chromatin condensation in for Photovoltaic Applications, Journal 3960145 human chromosomes, Scientific Reports, of Materials Chemistry A, (2017, DOI: (2016), 6, 31417 – 31417 10.1039/C7TA01688C Dines JA, Marson CM, A direct alkylation route to branched derivatives of Evans GP, Buckley DJ, Adedigba AL, Gardecka AJ, Teixeira D, Goh GKL, suberoylanilide hydroxamic acid (SAHA), Sankar G, Skipper NT, Parkin IP, Sankar G, Parkin IP, Synthesis of Rutile a potent non-selective inhibitor of Controlling the Cross-Sensitivity of Nb: TiO2 Free-Standing Thin Film at histone deacetylases, Tetrahedron, (2016), Carbon Nanotube-Based Gas Sensors the Liquid-Air Interface, ADVANCED 72, 52, 8584 – 8592 to Water Using Zeolites, ACS Applied MATERIALS INTERFACES, (2016), 3, 18 Materials and Interfaces, (2016), 8, 41, Draper ER, Greeves BJ, Barrow M, 28096 – 28104 Ghanizadeh S, Peiris TAN, Jayathilake DSY, Schweins R, Zwijnenburg MA, Adams DJ, Hutt DA, Wijayantha KGU, Southee DJ, pH-Directed Aggregation to Control Fallon KJ, Wijeyasinghe N, Manley EF, Conway PP, Marchand P, Darr JA, Photoconductivity in Self-Assembled Dimitrov SD, Yousaf SA, Ashraf RS, Duffy Parkin IP, Carmalt CJ, Dispersion and Perylene Bisimides, Chem, (2017), 2, 5, W, Guilbert AAY, Freeman DME, Al- microwave processing of nano-sized ITO 716 – 731 Hashimi M, Nelson J, Durrant JR, Chen powder for the fabrication of transparent LX, McCulloch I, Marks TJ, Clarke TM, conductive oxides, Ceramics International, Draper ER, Schweins R, Akhtar R, Groves P, Anthopoulos TD, Bronstein H, Indolo- (2016), 42, 16, 18296 – 18302 Chechik V, Zwijnenburg MA, Adams DJ, naphthyridine-6,13-dione thiophene Reversible Photoreduction as a Trigger building block for conjugated polymer Gherghel S, Morgan RM, Blackman CS, for Photoresponsive Gels, Chemistry of electronics: Molecular origin of ultrahigh Karu K, Parkin IP, Analysis of transferred Materials, (2016), 28, 17, 6336 – 6341 n-type mobility, Chemistry of Materials, fragrance and its forensic implications, (2016), 28, 22, 8366 – 8378 Science and Justice, (2016), 56, 6, 413 – 420 Dreos A, Börjesson K, Wang Z, Roffey A, Norwood Z, Kushnir D, Moth-Poulsen K, Farrow MR, Buckeridge J, Lazauskas T, Giussani A, Worth GA, Insights into the Exploring the potential of a hybrid device Mora-Fonz D, Scanlon DO, Catlow CRA, Complex Photophysics and Photochemistry combining solar water heating and Woodley SM, Sokol AA, Heterostructures of the Simplest Nitroaromatic Compound: molecular solar thermal energy storage, of GaN with SiC and ZnO enhance carrier A CASPT2//CASSCF Study on Nitrobenzene, Energy and Environmental Science, (2017), stability and separation in framework Journal of Chemical Theory and 10, 3, 728 – 734 semiconductors, physica status solidi (a), Computation, (2017), 13, 6, 2777 – 2788 (2017), 214, 4 du Toit H, Macdonald TJ, Huang H, Parkin IP, Godfrey IJ, Dent AJ, Parkin IP, Gavriilidis A, Continuous flow synthesis of Fernández-García C, Grefenstette NM, Maenosono S, Sankar G, Structure of Gold citrate capped gold nanoparticles using Powner MW, Prebiotic synthesis of –Silver Nanoparticles, Journal of Physical UV induced nucleation, Rsc Advances, aminooxazoline-5’-phosphates in water Chemistry C, (2017), 121, 3, 1957 – 1963 (2017), 7, 16, 9632 – 9638 by oxidative phosphorylation, Chemical Communications, (2017), 53, 36, 4919 – 4921 Godin R, Wang Y, Zwijnenburg MA, Tang J, Dunbabin A, Subrizi F, Ward JM, Durrant JR, Time-Resolved Spectroscopic Sheppard TD, Hailes HC, Furfurylamines Fetsch C, Gaitzsch J, Messager L, Investigation of Charge Trapping in Carbon from biomass: Transaminase catalysed Battaglia G, Luxenhofer R, Self-assembly Nitrides Photocatalysts for Hydrogen upgrading of furfurals, Green Chemistry, of amphiphilic block copolypeptoids Generation, Journal of the American (2016), 19, 2, 397 – 404 - Micelles, worms and polymersomes, Chemical Society, (2017), 139, 14, 5216 – 5224 Scientific Reports, (2016), 6, DOI: 10.1038/ Ebaid M, Priante D, Liu G, Zhao C, Sharizal srep33491 González-López J, Cockcroft JK, Alias M, Buttner U, Khee Ng T, Taylor Fernández-González Á, Jimenez A, Unbiased Isimjan T, Idriss H, Ooi BS, Fields M, Spencer N, Dudhia J, McMillan PF, Grau-Crespo R, Crystal structure of photocatalytic hydrogen generation Structural changes in cartilage and cobalt hydroxide carbonate Co2CO3(OH)2: from pure water on stable Ir-treated collagen studied by high temperature density functional theory and X-ray In0.33Ga0.67N nanorods, Nano Energy, Raman spectroscopy, Biopolymers, diffraction investigation, (2017) (2017), 37, 158 – 167 (2017), 107, 6. DOI: 10.1002/bip.23017 Catlow CRA, Eccleston RC, Wan S, Dalchau N, Freeman DME, Musser AJ, Frost JM, Gould AL, Rossi K, Baletto Controlling Structural Coveney PV, The Role of Multiscale Stern HL, Forster AK, Fallon KJ, Rapidis AG, F, Logsdail AJ, Transitions in AuAg Nanoparticles Protein Dynamics in Antigen Presentation Cacialli F, McCulloch I, Clarke TM, Friend through Precise Compositional Design, and T Lymphocyte Recognition, Frontiers RH, Bronstein H, Synthesis and Exciton in Immunology, (2017), 8, DOI: 10.3389/ Dynamics of Donor-Orthogonal Acceptor Journal of Physical Chemistry Letters, fimmu.2017.00797 Conjugated Polymers: Reducing the (2016), 7, 21 Singlet-Triplet Energy Gap, Journal of the Ellis E, Zhang K, Lin Q, Ye E, Poma A, American Chemical Society, (2017, DOI: Groen D, Bhati AP, Suter J, Hetherington J, Battaglia G, Loh XJ, Lee T-C, 10.1021/jacs.7b03327 Zasada SJ, Coveney PV, FabSim: Biocompatible pH-responsive Facilitating computational research nanoparticles with a core-anchored Fung KW, Wright DW, Gor J, Swann MJ, through automation on large-scale and multilayer shell of triblock copolymers Perkins SJ, Domain structure of human distributed e-infrastructures, Computer for enhanced cancer therapy, Journal of complement C4b extends with increasing Physics Communications, (2016), 207, Materials Chemistry B, (2017), 5, 4421 – 4425 NaCl concentration: implications for 375 –385 its regulatory mechanism, Biochemical Escher SGET, Lazauskas T, Zwijnenburg Journal, (2016), 473, 23, 4473 – 4491 Guiglion P, Monti A, Zwijnenburg MA, MA, Woodley SM, Structure prediction Validating a Density Functional Theory of (BaO)n nanoclusters for n<24 using Ganose AM, Savory CN, Scanlon DO, Approach for Predicting the Redox an evolutionary algorithm, Journal of Beyond methylammonium lead iodide: Potentials Associated with Charge Molecular Structure: THEOCHEM, (2017), prospects for the emergent field of ns(2) Carriers and Excitons in Polymeric 1107, 74 –81 containing solar absorbers, Chemical Photocatalysts, Journal of Physical Communications, (2016), 53, 1, 20 – 44 Chemistry C, (2017), 121, 3, 1498 – 1506

Guo-Malloy S, McMillan PF, Petuskey WT, Glass formation and characterization in the 3Al2O3·2SiO2-LaPO4 system, Journal of Non-Crystalline Solids, (2016), 451, 77 – 83

34 UCL Chemistry NEWSLETTER PUBLICATIONS

Gupta K, Bersani M, Darr JA, Highly Horsfall LA, Pugh DC, Blackman CS, Idriss H, On the synergism between efficient electro-reduction of CO2 to formic Parkin IP, An array of WO3 and CTO Cu and Ni for the photocatalytic acid by nano-copper, Journal of Materials heterojunction semiconducting metal hydrogen production and their potential Chemistry A, (2016), 4, 36, 13786 – 13794 oxide gas sensors used as a tool for as substitutes of noble metals, explosive detection, Journal of Materials ChemCatChem, (2016), 8, 19, 3146 – 3155 Hager R, Halilovic A, Burns JR, Schäffler F, Chemistry A, (2016), 5, 5, 2172 – 2179 Howorka S, Arrays of Individual DNA Idriss H, Jovic V, Waterhouse GIN, Molecules on Nanopatterned Substrates, Howard DP, Marchand P, Gordon T, Improving solar hydrogen production Scientific Reports, (2017),7, 42075 – 42075 Darr JA, Sustainable Transparent with photonic band gap materials, Conducting Oxide Nanomaterials; SPIE Newsroom, (2017), DOI: Haghdadi M, Amiry R, Price LS, Aluminium and Gallium-Co-Doped Zinc 10.1117/2.120173.006823 DFT study of molecular structures and Oxide (AGZO), Journal of Nanoscience and relative stabilities of 1,2,7-thiadiazepane Nanotechnology, (2016), 16, 9, 10166 – 10171 Idriss H, khan MA, Bakr OM, Sinatra L, 1,1-dioxide and 1,2,7-thiadiazepane Oufi M,E vidence of Plasmonic Induced 1-oxide, Russian Chemical Bulletin, (2016), Howard DP, Marchand P, McCafferty L, Photocatalytic Hydrogen Production on 65, 9, 2286 – 2290 Carmalt CJ, Parkin IP, Darr JA, High- Pd/TiO2 Upon Deposition on Thin Films Throughput Continuous Hydrothermal of Gold, Catalysis Letters, (2017), 147, 4, Hart M, White ER, Chen J, McGilvery CM, Synthesis of Transparent Conducting 811– 820 Pickard CJ, Michaelides A, Sella A, Shaffer Aluminum and Gallium Co-doped Zinc MSP, Salzmann CG, Encapsulation and Oxides, ACS Combinatorial Science, Idriss H, Wahab AK, meyer K, ould -chikh S, Polymerization of White Phosphorus Inside (2017), 19, 4, 239 – 245 On the “possible” synergism of the Single-Wall Carbon Nanotubes, Angewandte different phases of TiO2 in photo- Chemie, (2017), 129, 28, 8256 – 8260 Howorka S, DNA nanotechnology: catalysis for hydrogen production, Bringing lipid bilayers into shape, Nature Journal of Catalysis, (2017), 352, 657 – 671 Hart M, White ER, Chen J, Mcgilvery CM, Chemistry, (2017), 9, 7, 611 – 613 Pickard CJ, Michaelides A, Sella A, Idriss H, Waterhouse GIN, Jovic V, Slow Shaffer MSP, Salzmann CG, Encapsulation Howorka S, Building membrane photon amplification of gas-phase and Polymerization of White Phosphorus nanopores, Nature Nanotechnology, ethanol photo-oxidation in titania inverse Inside Single-Wall Carbon Nanotubes, (2017), 12, 7, 619 – 630 opal photonic crystals, Chemical Physics, Angewandte Chemie, (2017), 56, 28, 8144 – 8149 (2016), 479, 109 – 121 Howorka S, Messager L, Burns JR, Hassan IA, Sathasivam S, Islam HU, Nair SP, Kim J, Cecchin D, Hindley J, Pyne A, Islam S, Bucar DK, Powner MW, Prebiotic Carmalt CJ, Ga2O3–Cu2O: synthesis, Gaitzsch J, Battaglia G, Biomimetic selection and assembly of proteinogenic characterisation and antibacterial Hybrid Nanocontainers with Selective amino acids and natural nucleotides properties, Rsc Advances, (2017), 7, 1, Permeability, Angewandte Chemie, (2016), from complex mixtures, Nature Chemistry, 551 –558 128, 37, 11272 – 11275 (2017), 9, 584 – 589

Hayes LM, Press NJ, Tocher DA, Carmalt CJ, Howorka S, Siwy Z, Nanopores and Jacob SI, Khogeer B, Bampos N, Intermolecular Interactions between Nanochannels: From Gene Sequencing Sheppard TD, Lowe CR, Development Encapsulated Aromatic Compounds to Genome Mapping, ACS Nano, (2016), and Application of Synthetic Affinity and the Host Framework of a Crystalline 10, 11, 9768 – 9771 Ligands for the Purification of Ferritin- Sponge, Crystal Growth and Design, Based Influenza Antigens, Bioconjugate (2016), 17, 2, 858 – 863 Hoye RLZ, Schulz P, Schelhas LT, Holder AM, Chemistry, (2017), 28, 7, 1931 –1943 Stone KH, Perkins JD, Vigil-Fowler D, Siol Hayes T, Hu Y, Sanchez-Vazquez SA, S, Scanlon DO, Zakutayev A, Walsh A, Jayathilake DSY, Peiris TAN, Sagu JS, Hailes HC, Aliev AE, Evans JRG, Smith IC, Melot BC, Kurchin RC, Wang Y, Potter DB, Wijayantha KGU, Carmalt CJ, Strategies for synthesis of epoxy resins Shi J, Marques FC, Berry JJ, Tumas W, Southee DJ, Microwave-Assisted from oleic acid derived from food wastes, Lany S, Stevanovic V, Toney MF, Synthesis and Processing of Al-Doped, Journal of Polymer Science Part A: Polymer Buonassisi T, Perovskite-inspired Ga-Doped, and Al, Ga Codoped ZnO Chemistry, (2016), 54, 19, 3159 –3170 photovoltaic materials: Toward best for the Pursuit of Optimal Conductivity practices in materials characterization for Transparent Conducting Film Hazael R, Meersman F, Ono F, McMillan PF, and calculations, Chemistry of Materials, Fabrication, ACS Sustainable Chemistry Pressure as a limiting factor for life, Life, (2017), 29, 5, 1964 – 1988 and Engineering, (2017), DOI: 10.1021/ (2016), 6, 3 acssuschemeng.7b00263 Huang L, Song J, Lu Y, Chen F, Liu X, He G, Han X, Zou R, Zhao T, Weng Z, Jin Z, Zhao D, Carmalt CJ, Parkin IP, Jiao X, Tanner EEL, Sokolov SV, Ho-Kimura S, Lu Y, Wang H, Guo ZX, Superoleophobic surfaces on stainless Palgrave RG, Young NP, Compton RG, Parkin IP, A Targeted Functional Design steel substrates obtained by chemical Understanding nanoparticle porosity via for Highly Efficient and Stable Cathodes bath deposition, Micro and Nano Letters, nanoimpacts and XPS: electro-oxidation for Rechargeable Li-Ion Batteries, (2017), 12, 2, 76 – 81 of platinum nanoparticle aggregates, Advanced Functional Materials, (2017), 27, 4 Physical Chemistry Chemical Physics, Huang S, Song J, Lu Y, Lv C, Zheng H, (2017), 19, 21, 13547 – 13552 He G, Qiao M, Li W, Lu Y, Zhao T, Zou R, Li Liu X, Jin Z, Zhao D, Carmalt CJ, Parkin B, Darr JA, Hu J, Titirici M-M, Parkin IP, IP, Power-free water pump based on a Johnson ID, Loveridge M, Bhagat R, S, N-Co-Doped Graphene-Nickel Cobalt superhydrophobic surface: generation Darr JA, Mapping Structure- Sulfide Aerogel: Improved Energy Storage of a mushroom-like jet and anti-gravity Composition-Property Relationships in and Electrocatalytic Performance, long-distance transport, Journal of Materials V- and Fe-Doped LiMnPO4 Cathodes for Advanced Science, (2016), Article 1600214 Chemistry A, (2016), 4, 36, 13771–13777 Lithium-Ion Batteries, ACS Combinatorial Science, (2016), 18, 11, 665 – 672 Hendon CH, Butler KT, Ganose AM, Hwang GB, Kwon BM, Lee SJ, Lee BU, Román-Leshkov Y, Scanlon DO, Ozin GA, Sim KM, Bae G-N, Jung JH, Effects of Jones AP, McMillan PF, Salzmann CG, Walsh A, Electroactive Nanoporous Metal Antimicrobial Air Filters on the Viability Alvaro M, Nestola F, Prencipe M, Dobson Oxides and Chalcogenides by Chemical and Culturability of Airborne Bacteria, D, Hazael R, Moore M, Structural Design, Chemistry of Materials, (2017), 29, CLEAN - Soil, Air, Water, (2016), 44, 10, characterization of natural diamond 8, 3663 – 3670 1268 –1277 shocked to 60GPa; implications for Earth and planetary systems, Lithos, (2016), Hernandez-Tamargo CE, Roldan A, de Leeuw Hwang GB, Patir A, Page K, Lu Y, Allan E, 265, 214 – 221 NH, DFT Modeling of the Adsorption of Parkin IP, Buoyancy increase and Trimethylphosphine Oxide at the Internal drag-reduction through a simple and External Surfaces of Zeolite MFI, superhydrophobic coating, Nanoscale, Journal of Physical Chemistry C, (2016), (2017), 9, 22, 7588 – 7594 120, 34, 19097 – 19106

UCL Chemistry NEWSLETTER 35 PUBLICATIONS

Jones W, Martin DJ, Caravaca A, Beale AM, Laassiri S, Zeinalipour-Yazdi CD, Li X, Gao M, Du W, Ni B, Wu Y, Liu Y, Bowker M, Maschmeyer T, Hartley G, Catlow CRA, Hargreaves JSJ, The Shang C, Guo Z, Pan H, A mechanochemical Masters A, A comparison of photocatalytic potential of manganese nitride based synthesis of submicron-sized Li2S and reforming reactions of methanol and materials as nitrogen transfer reagents a mesoporous Li2S/C hybrid for high triethanolamine with Pd supported on for nitrogen chemical looping, Applied performance lithium/sulfur battery titania and graphitic carbon nitride, Catalysis B: Environmental, (2017), DOI: cathodes, Journal of Materials Chemistry Applied Catalysis B: Environmental, (2017), 10.1016/j.apcatb.2017.04.073 A, (2017), 5, 14, 6471 – 6482 DOI: 10.1016/j.apcatb.2017.01.042 Lambrughi M, De Gioia L, Gervasio FL, Lichman BR, Zhao J, Hailes HC, Ward JM, Kafizas A, Francas L, Sotelo-Vazquez C, Lindorff-Larsen K, Nussinov R, Urani Enzyme catalysed Pictet-Spengler Ling M, Li Y, Glover E, McCafferty L, C, Bruschi M, Papaleo E, DNA-binding formation of chiral 1,1 ‘-disubstituted- Blackman C, Darr J, Parkin I, Optimizing protects p53 from interactions with and spiro-tetrahydroisoquinolines, the Activity of Nanoneedle Structured cofactors involved in transcription- Nature Communications, (2017), 8, DOI: WO3 Photoanodes for Solar Water independent functions, Nucleic Acids 10.1038/ncomms14883 Splitting: Direct Synthesis via Chemical Research, (2016), 44, 19, 9096 – 9109 Vapor Deposition, Journal of Physical Lin YL, Koch M, Brigeman AN, Freeman DME, Chemistry C, (2017), 121, 11, 5983 – 5993 Lang Z, Aparicio-Angles X, Weinstock I, Zhao L, Bronstein H, Giebink NC, Clotet A, Poblet JM, Counterintuitive Scholes GD, Rand BP, Enhanced sub-band Kafizas A, Ma Y, Pastor E, Pendlebury SR, Adsorption of [PW11O39](7-) on Au(100), gap efficiency of a solid-state organic Mesa C, Francàs L, Le Formal F, Noor N, Inorganic Chemistry, (2017), 56, 7, 3961 –3969 intermediate band solar cell using triplet- Ling M, Sotelo-Vazquez C, Carmalt CJ, triplet annihilation, Energy and Environmental Parkin IP, Durrant JR, Water Oxidation Lazauskas T, Sokol AA, Woodley SM, An Science, (2017), 10, 6, 1465 – 1475 Kinetics of Accumulated Holes on the efficient genetic algorithm for structure Surface of a TiO 2 Photoanode: A Rate prediction at the nanoscale, Nanoscale, Ling M, Blackman CS, Palgrave RG, Law Analysis, ACS Catalysis, (2017), (2017), 9, 11, 3850 – 3864 Sotelo-Vazquez C, Kafizas A, Parkin IP, 4896 – 4903 Correlation of Optical Properties, Le TD, Nguyen T, Iron Oxide Nanoparticles: Electronic Structure, and Photocatalytic Katsiev K, Harrison G, Alghamdi H, Alsalik Y, Tunable Size Synthesis and Analysis in Activity in Nanostructured Tungsten Wilson A, Thornton G, Idriss H, Mechanism Terms of the Core–Shell Structure and Oxide, Advanced Materials Interfaces, of Ethanol Photooxidation on Single-Crystal Mixed Coercive Model, Journal of Electronic (2017), DOI: 10.1002/admi.201700064 Anatase TiO2(101), Journal of Physical Materials, (2017), 46, 4, 2533 – 2539 Chemistry C, (2017), 121, 5, 2940 – 2950 Ling S, Gutowski M, Different Lee MTW, Maruani A, Richards DA, Conformations of 2’-Deoxycytidine in the Gas and Solid Phases: Competition Keß M, Worth G, Engel V, Two-dimensional Baker JR, Caddick S, Chudasama V, vibronic spectroscopy of molecular Enabling the controlled assembly of between Intra- and Intermolecular aggregates: Trimers, dimers, and antibody conjugates with a loading of two Hydrogen Bonds, Journal of Physical monomers, Journal of Chemical Physics, modules without antibody engineering, Chemistry A, (2016), 120, 41, 8199 – 8210 Chemical Science, (2016), 8, 3, 2056 – 2060 (2016), 145, 8 Linhart WM, Rajpalke MK, Buckeridge J, Khan MMM, Ghosh S, Hogarth G, Lezcano-González I, O’Brien MG, Po kaj Murgatroyd PAE, Bomphrey JJ, Alaria J, č Catlow CRA, Scanlon DO, Tocher DA, Richmond MG, Kabir SE, M, Sánchez-Sánchez M, Beale AM, Ashwin MJ, Band gap reduction in InNxSb1-x Roesky HW, Mixed main group transition Flexibility of the imidazolium based ionic Veal TD, metal clusters: Reactions of [Ru 3 (CO) liquids/water system for the synthesis of alloys: Optical absorption, k . P modeling, and density functional theory, Applied 10 (μ-dppm)] with Ph 3 SnH, Journal of siliceous 10-ring containing microporous Physics Letters, (2016), 13 Organometallic Chemistry, (2017), 840, 47 – 55 frameworks, Microporous and Mesoporous 109, Materials, (2016), 240, 117 – 122 Khara GS, Murphy ST, Daraszewicz SL, Logsdail AJ, Downing CA, Keal TW, Catlow CRA, Duffy DM, The influence of the electronic Sherwood P, Sokol AA, Li B, Yuan F, He G, Han X, Wang X, Qin J, Modelling the chemistry of Mn-doped specific heat on swift heavy ion Guo ZX, Parkin IP, Lu X, Wang Q, Wu MgO for bulk and (100) surfaces, Physical irradiation simulations of silicon, Journal C, Ultrasmall CuCo2S4 Nanocrystals: Chemistry Chemical Physics, (2016), 18, 41, of Physics: Condensed Matter, (2016), 28, 39 All-in-One Theragnosis Nanoplatform 28648 – 28660 with Magnetic Resonance/Near-Infrared Kirkby OM, Parkes MA, Neville SP, Imaging for Efficiently Photothermal Lounasvuori MM, Holt KB, Acid Worth GA, Fielding HH, Non-radiative Therapy of Tumors, Advanced Functional relaxation dynamics of pyrrole following deprotonation driven by cation migration Materials, (2017), 27, 10 at biased graphene nanoflake electrodes, excitation in the range 249.5-200nm, Chemical Physics Letters, (2017), DOI: Chemical Communications, (2017), 53, 15, Li C, Zhou X, Shao Y, Chen P, Xing Y, Yang 2351 – 2354 10.1016/j.cplett.2017.04.035 Z, Li Z, Liu D, A supramolecular hydrogel with identical cross-linking point density Loveridge MJ, Lain MJ, Johnson ID, Kiselev A, Bachmann F, Pedevilla P, Cox SJ, but distinctive rheological properties, Roberts A, Beattie SD, Dashwood R, Darr Michaelides A, Gerthsen D, Leisner T, Mater. 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Front., (2017), 1, 4, 654 – 659 JA, Bhagat R, Towards High Capacity Li- ATMOSPHERIC ICE Active sites in ion Batteries Based on Silicon-Graphene heterogeneous ice nucleation-the Li S, Zhao X, Shi J, Jia Y, Guo Z, Cho JH, Composite Anodes and Sub-micron example of K-rich feldspars, Science, Gao Y, Zhang Z, Interplay between the V-doped LiFePO4 Cathodes, Scientific (2017), 355, 6323, 367 – 371 spin-selection rule and frontier orbital Reports, (2016), 6, DOI: 10.1038/srep37787 theory in O2 activation and CO oxidation Kumar KV, Gadipelli S, Preuss K, by single-atom-sized catalysts on Lubke M, Ning D, Armer CF, Howard D, Porwal H, Zhao T, Guo ZX, Titirici MM, TiO2(110), Physical Chemistry Chemical Brett DJL, Liu Z, Darr JA, Evaluating the Salt Templating with Pore Padding: Physics, (2016), 18, 36, 24872 – 24879 Potential Benefits of Metal Ion Doping in Hierarchical Pore Tailoring towards SnO2 Negative Electrodes for Lithium Ion Functionalised Porous Carbons, Annali di Li X, Cheng X, Gao M, Ren D, Liu Y, Guo Z, Batteries, Electrochimica Acta, (2017), 242, Chimica, (2016), 10, 1, 199 – 209 Shang C, Sun L, Pan H, Amylose-Derived 400 – 407 Macrohollow Core and Microporous Kuzmanic A, Sutto L, Saladino G, Nebreda Luebke M, Howard D, Armer CF, Gardecka AJ, AR, Gervasio FL, Orozco M, Changes Shell Carbon Spheres as Sulfur Host for Superior Lithium Sulfur Battery Lowe A, Reddy MV, Liu Z, Darr JA, High in the free-energy landscape of p38α energy lithium ion battery electrode MAP kinase through its canonical Cathodes, ACS Applied Materials and Interfaces, (2017), 9, 12, 10717 – 10729 materials; enhanced charge storage via activation and binding events as studied both alloying and insertion processes, by enhanced molecular dynamics Electrochimica Acta, (2017), 231, 247– 254= simulations, eLife, (2017), 6, DOI: 10.7554/ eLife.22175 36 UCL Chemistry NEWSLETTER PUBLICATIONS

Luo W, Jiang C, Li Y, Shevlin SA, Han X, McCafferty L, O’Rourke C, Mills A, Kafizas Mudiyanselage K, Al-Shankiti I, Foulis A, Qiu K, Cheng Y, Guo Z, Huang W, Tang J, A, Parkin IP, Darr JA, Light-driven Llorca J, Idriss H, Reactions of ethanol Highly crystallized alpha-FeOOH for a generation of chlorine and hydrogen over CeO2 and Ru/CeO2 catalysts, stable and efficient oxygen evolution from brine using highly selective Ru/Ti Applied Catalysis B: Environmental, (2016), reaction, Journal of Materials Chemistry A, oxide redox catalysts, Sustainable Energy 197, 198 –205 (2017), 5, 5, 2021 – 2028 Fuels, (2017), 1, 254 – 257 Muuronen M, Parker SM, Berardo E, Le A, Lupan O, Postica V, Grottrup J, Mishra AK, McLaughlin C, Assmann M, Parkes MA, Zwijnenburg MA, Furche F, Mechanism of de Leeuw NH, Carreira JFC, Rodrigues J, Woodhouse JL, Lewin R, Hailes HC, photocatalytic water oxidation on small Ben Sedrine N, Correia MR, Monteiro T, Worth GA, Fielding HH, ortho and para TiO2 nanoparticles, Chemical Science, Cretu V, Tiginyanu I, Smazna D, Mishra YK, chromophores of green fluorescent (2017), 8, 3, 2179 – 2183 Adelung R, Hybridization of Zinc Oxide protein: controlling electron emission Tetrapods for Selective Gas Sensing and internal conversion, Chemical Nadeem MA, Al-Oufi M, Wahab AK, Anjum D, Applications, ACS Applied Materials and Science, (2016), 8, 2, 1621 – 1630 Idriss H, Hydrogen Production on Ag-Pd/ Interfaces, (2017), 9, 4, 4084 – 4099 TiO2 Bimetallic Catalysts: Is there a Meier CB, Sprick RS, Monti A, Guiglion P, Combined Effect of Surface Plasmon Macdonald TJ, Wu K, Sehmi SK, Noimark S, Lee J-SM, Zwijnenburg MA, Cooper AI, Resonance with Schottky Mechanism Peveler WJ, du Toit H, Voelcker NH, Allan E, Structure-property relationships for on the Photo-Catalytic Activity?, MacRobert AJ, Gavriilidis A, Parkin IP, covalent triazine-based frameworks: The CHEMISTRYSELECT, (2017), 2, 9, 2754 – 2762 Thiol-Capped Gold Nanoparticles Swell- effect of spacer length on photocatalytic Encapsulated into Polyurethane as hydrogen evolution from water, Polymer, Nadeem MA, Waterhouse GIN, Idriss H, Powerful Antibacterial Surfaces Under (2017), DOI: 10.1016/j.polymer.2017.04.017 A study of ethanol reactions on O2- Dark and Light Conditions, Scientific treated Au/TiO2. Effect of support and Reports, (2016), 6, 39272 – 39272 Messager L, Burns JR, Kim J, Cecchin D, metal loading on reaction selectivity, Hindley J, Pyne ALB, Gaitzsch J, Surface Science, (2016), 650, 40 – 50 Maingi V, Burns JR, Uusitalo JJ, Howorka S, Battaglia G, Howorka S, Biomimetic Marrink SJ, Sansom MSP, Stability and Hybrid Nanocontainers with Selective Nan R, Furze CM, Wright DW, Gor J, Wallis dynamics of membrane-spanning DNA Permeability, Angewandte Chemie, (2016), R, Perkins SJ, Flexibility in Mannan- nanopores, Nature Communications, 55, 37, 11106 –11109 Binding Lectin-Associated Serine (2017), 8, DOI: 10.1038/ncomms14784 Proteases-1 and -2 Provides Insight on Meyer K, Bashir S, Llorca J, Idriss H, Lectin Pathway Activation, Structure, Malarde D, Powell MJ, Quesada-Cabrera R, Ranocchiari M, van Bokhoven JA, (2017), 25, 2, 364 – 375 Wilson RL, Carmalt CJ, Sankar G, Photocatalyzed Hydrogen Evolution Parkin IP, Palgrave RG, Optimized from Water by a Composite Catalyst of Nasirudeen MB, Hailes HC, Evans JRG, Atmospheric-Pressure Chemical Vapor NH2-MIL-125(Ti) and Surface Nickel(II) Preparation of 5-Hydroxymethylfurfural Deposition Thermochromic VO2 Thin Films Species, Chemistry - A European Journal, from Glucose and Fructose in Ionic for Intelligent Window Applications, ACS (2016), 22, 39, 13894 – 13899 Liquids by Reactive Vacuum Distillation Omega, (2017), 2, 3, 1040 – 1046 Over a Solid Catalyst, Current Organic Michaelides A, Slater B, Melting the ice Synthesis, (2017), 14, 4, 596 – 603 Mange YJ, Chandrasekaran S, one layer at a time, Proceedings of the Hollingsworth N, Voelcker NH, Parkin IP, National Academy of Sciences, (2017), 114, Neer AJ, Milam-Guerrero J, So JE, Melot BC, Nann T, Macdonald TJ, {Ni4O4} Cluster 2, 195 –197 Ross KA, Hulvey Z, Brown CM, Sokol AA, Complex to Enhance the Reductive Scanlon DO, Ising-like antiferromagnetism Photocurrent Response on Silicon Miller TS, Jorge AB, Suter TM, Sella A, on the octahedral sublattice of a cobalt- Nanowire Photocathodes, Nanomaterials, Corà F, McMillan PF, Carbon nitrides: containing garnet and the potential for synthesis and characterization of a new (2017), 7, 2 quantum criticality, Physical Review B, class of functional materials, Physical (2017), 95, 14, Mansor N, Miller TS, Dedigama I, Jorge AB, Chemistry Chemical Physics, (2017), 19, 24, Jia J, Brázdová V, Mattevi C, Gibbs C, 15613 – 15638 Niu H, Pitcher MJ, Corkett AJ, Ling S, Hodgson D, Shearing PR, Howard CA, Mandal P, Zanella M, Dawson K, Stamenov P, Corà F, Shaffer M, Brett DJL, McMillan PF, Miller TS, Suter TM, Telford AM, Picco L, Batuk D, Abakumov AM, Bull CL, Smith RI, Graphitic Carbon Nitride as a Catalyst Payton OD, Russell-Pavier F, Cullen PL, Murray CA, Day SJ, Slater B, Cora F, Sella A, Support in Fuel Cells and Electrolyzers, Shaffer MSP, Nelson J, Tileli V, Claridge JB, Rosseinsky MJ, Room Electrochimica Acta, (2016), 222, 44 – 57 McMillan PF, Howard CA, Single Crystal, Temperature Magnetically Ordered Luminescent Carbon Nitride Nanosheets Polar Corundum GaFeO3 Displaying Formed by Spontaneous Dissolution, Manzi JA, Knapp CE, Parkin IP, Carmalt CJ, Magnetoelectric Coupling, Journal of the Nano Letters, (2017), DOI: 10.1021/acs. Aerosol assisted chemical vapour American Chemical Society, (2017), 139, 4, deposition of transparent conductive nanolett.7b01353 1520 –1531 aluminum-doped zinc oxide thin films Mechanistic from a zinc triflate precursor, Thin Solid Mishra AK, de Leeuw NH, Nunes JPM, Vassileva V, Robinson E, insights into the Cu(I) oxide-catalyzed Films, (2016), 616, 477– 481 Morais M, Smith MEB, Pedley RB, Caddick S, conversion of CO2 to fuels and Baker JR, Chudasama V, Use of a next Marano S, Barker SA, Raimi-Abraham BT, chemicals: A DFT approach, Journal of generation maleimide in combination Missaghi S, Rajabi-Siahboomi A, Aliev AE, CO2 Utilization, (2016), 15, 96 – 106 with THIOMAB (TM) antibody technology Craig DQM, Microfibrous Solid delivers a highly stable, potent and near Mora-Fonz D, Lazauskas T, Farrow MR, Dispersions of Poorly Water-Soluble homogeneous THIOMAB (TM) antibody- Catlow CRA, Woodley SM, Sokol AA, Drugs Produced via Centrifugal drug conjugate (TDC), Rsc Advances, Why Are Polar Surfaces of ZnO Stable?, Spinning: Unexpected Dissolution (2017), 7, 40, 24828 – 24832 Behavior on Recrystallization, Molecular Chemistry of Materials, (2017), 29, 12, 5306 Pharmaceutics, (2017), 14, 5, 1666 – 1680 – 5320 Oleinikovas V, Saladino G, Cossins BP, Gervasio FL, Understanding Cryptic Martin DJ, Decarolis D, Odarchenko YI, Morais M, Nunes JPM, Karu K, Forte N, Pocket Formation in Protein Targets by Herbert JJ, Arnold T, Rawle J, Nicklin C, Benni I, Smith MEB, Caddick S, Enhanced Sampling Simulations, Journal Boyen H-G, Beale AM, Reversible Chudasama V, Baker JR, Optimisation of the American Chemical Society, (2016), restructuring of supported Au of the dibromomaleimide (DBM) platform 138, 43, 14257 – 14263 nanoparticles during butadiene for native antibody conjugation by hydrogenation revealed by operando accelerated post-conjugation hydrolysis, GISAXS/GIWAXS, Chemical Journal of the Chemical Society, Perkin Communications, (2017), 53, 37, 5159 – 5162 Transactions 1, (2017), 15, 14, 2947 – 2952

UCL Chemistry NEWSLETTER 37 PUBLICATIONS

Olsson E, Aparicio-Angles X, de Leeuw NH, Perkins SJ, Wright DW, Zhang H, Brookes Powner MW, Fernandez Garcia C, Ab initio study of vacancy formation in EH, Chen J, Irving TC, Krueger S, Barlow Selective Acylation of Nucleosides, cubic LaMnO3 and SmCoO3 as cathode DJ, Edler KJ, Scott DJ, Terrill NJ, King SM, Nucleotides, and Glycerol-3- materials in solid oxide fuel cells (vol 145, Butler PD, Curtis JE, Atomistic modelling phosphocholine in Water, Synlett: 014703, 2016), Journal of Chemical Physics, of scattering data in the Collaborative accounts and rapid communications in (2016), 145, 19 Computational Project for Small Angle synthetic organic chemistry, (2016), DOI: Scattering (CCP-SAS), Journal of Applied 10.1055/s-0036-1588626 Olsson E, Aparicio-Angles X, de Leeuw NH, Crystallography, (2016), 49, 6, 1861 – 1875 A DFT plus U study of the structural, Powner MW, Islam S, Prebiotic Systems electronic, magnetic, and mechanical Pesnot T, Gershater MC, Edwards M, Chemistry - Complexity Overcoming properties of cubic and orthorhombic Ward JM, Hailes HC, One-Pot Clutter, Chem, (2017), DOI: 10.1016/j. SmCoO3, Journal of Chemical Physics, Phosphate-Mediated Synthesis of Novel chempr.2017.03.001 (2016), 145, 22 1,3,5-Trisubstituted Pyridinium Salts: A New Family of S. aureus Inhibitors, Powner MW, stairs S, Scalable synthesis Olsson KIE, A DFT+U study of the structural, Molecules, (2017), 22, 4 of 2,2’-anhydro-arabinofuranosyl electronic, magnetic and mechanical imidazoles, Synlett: accounts and rapid properties of cubic and orthorhombic Peveler WJ, Yazdani M, Rotello VM, communications in synthetic organic chemistry, SmCoO3, Journal of Chemical Physics, Selectivity and Specificity: Pros and (2017), DOI: 10.1055/s-0036-1590968 (2016), 145, Article 224704 Cons in Sensing, ACS SENSORS, (2016), 1, 11, 1282 – 1285 Powner MW, Stairs S, Nikmal A, Bucar DK, Oogarah RK, Stockdale CPJ, Stock C, Szostak JW, Zheng SL, Divergent prebiotic Evans JSO, Wills AS, Taylor JW, McCabe EE, Piccirillo C, Denis CJ, Pullar RC, Binions R, synthesis of pyrimidine and 8-oxo- Crystal field excitations and 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epitaxial strain, Physical Review Potter DB, Powell MJ, Darr JA, Parkin IP, B, (2016), 94, 8 Peltola E, Wester N, Holt KB, Johansson LS, Carmalt CJ, Transparent conducting Koskinen J, Myllymäki V, Laurila T, oxide thin films of Si-doped ZnO Quesada-Cabrera R, Powell MJ, Marchand P, Nanodiamonds on tetrahedral amorphous prepared by aerosol assisted CVD, Rsc Denis CJ, Di Maggio F, Darr JA, Parkin IP, carbon significantly enhance dopamine Advances, (2017), 7, 18, 10806 –10814 Scalable Production of Thermochromic detection and cell viability, Biosensors Nb-Doped VO2 Nanomaterials Using and Bioelectronics, (2016), 88, 273 – 282 Powner MW, Coggins AJ, Prebiotic Continuous Hydrothermal Flow synthesis of phosphoenol pyruvate by Synthesis, Journal of Nanoscience and Perdios P, Lowe AR, Saladino G, Bunney DT, α-phosphorylation-controlled triose Nanotechnology, (2016), 16, 9, 10104 –10111 Thiyagarajan N, Alexandrov Y, Dunsby C, glycolysis, Nature Chemistry, (2016), 9, 4, French PMW, Chin JW, Gervasio FL, 310 – 317 Quesada-Cabrera R, Sotelo-Vázquez C, Tate EW, Katan M, Conformational Quesada-González M, Melián EP, Chadwick N, transition of FGFR kinase activation Parkin IP, On the apparent visible-light revealed by site-­specific unnatural amino and enhanced UV-light photocatalytic acid reporter and single molecule FRET, activity of nitrogen-doped TiO2 thin films, Scientific Reports, (2017), 7, Article 39841 Journal of Photochemistry and Photobiology A: Chemistry, (2016), 333, 49 –55 38 UCL Chemistry NEWSLETTER PUBLICATIONS

Quesada-Gonzalez M, Baba K, Sotelo- Ruan Q, Luo W, Xie J, Wang Y, Liu X, Bai Z, Sehmi SK, Noimark SM, Pike SD, Bear JC, Vazquez C, Choquet P, Carmalt CJ, Carmalt CJ, Tang J, A Nanojunction Peveler WJ, Williams CK, Shaffer MSP, Parkin IP, Boscher ND, Interstitial Boron- Polymer Photoelectrode for Efficient Allan E, Parkin IP, Macrobert AJ, Doped Anatase TiO2 Thin-Film on Optical Charge Transport and Separation, Enhancing Antibacterial Activity of Fibre: Atmospheric Pressure-Plasma Angewandte Chemie, (2017), 56, 28, 8221 Light-Activated Surfaces Containing Enhanced Chemical Vapour Deposition – 8225 Crystal Violet and ZnO nanoparticles: as the Key for Functional Oxides Investigation of Nanoparticle Size, Coatings on Temperature-Sensitive Saleh N, Ibrahim P, Saladino G, Gervasio FL, Capping Ligand and Dopants, ACS Substrates, Journal of Materials Chemistry Clark T, An Efficient Metadynamics- Omega, (2016), 1, 3, 334 – 343 A, (2017), 5, 10836 – 10842 Based Protocol To Model the Binding Affinity and the Transition State Senecal P, Jacques SDM, Di Michiel M, Quesada-Gonzalez M, Boscher ND, Ensemble of G-Protein-Coupled Receptor Kimber SAJ, Vamvakeros A, Odarchenko Y, Carmalt CJ, Parkin IP, Interstitial Boron- Ligands, Journal of Chemical Information Lezcano-Gonzalez I, Paterson J, Ferguson E, Doped TiO2 Thin Films: The Significant and Modeling, (2017), 57, 5, 1210 – 1217 Beale AM, Real-Time Scattering-Contrast Effect of Boron on TiO2 Coatings Grown Imaging of a Supported Cobalt-Based by Atmospheric Pressure Chemical Saleh N, Saladino G, Gervasio FL, Catalyst Body during Activation and Vapor Deposition, ACS Applied Materials Clark T, Investigating allosteric effects Fischer-Tropsch Synthesis Revealing and Interfaces, (2016), 8, 38, 25024 – 25029 on the functional dynamics of [small Spatial Dependence of Particle Size beta]2-adrenergic ternary complexes and Phase on Catalytic Properties, ACS Reid DT, Heyl CM, Thomson RR, Trebino R, with enhanced-sampling simulations, Catalysis, (2017), 7, 4, 2284 – 2293 Steinmeyer G, Fielding HH, Holzwarth R, Chemical Science, (2017), 8, 5, 4019 – 4026 Zhang Z, Del’Haye P, Südmeyer T, Mourou Chudasama V, An overview Salzmann CG, Slater B, Radaelli PG, Shamsabadi A, G, Tajima T, Faccio D, Harren FJM, Cerullo of the synthesis of acyl hydrazides from Finney JL, Shephard JJ, Rosillo-Lopez G, Roadmap on ultrafast optics, Journal of aldehydes and reactions of the products Optics A: Pure and Applied Optics, (2016), M, Hindley J, Detailed crystallographic analysis of the ice VI to ice XV hydrogen thereof, Journal of the Chemical Society, 18, 9, 93006 – 93006 Perkin Transactions 1, (2016), 17 – 33 ordering phase transition, Journal of 15, Reilly AM, Cooper RI, Adjiman CS, Chemical Physics, (2016), 145, 20 Bhattacharya S, Boese AD, Brandenburg JG, Shamsabadi A, Ren J, Chudasama V, Bygrave PJ, Bylsma R, Campbell JE, Car R, Santos-Carballal D, Du Z, King HE, de Enabling the facile conversion of acyl Case DH, Chadha R, Cole JC, Cosburn K, Leeuw NH, A computational study of the hydrazides into N-acyl carbamates via Cuppen HM, Curtis F, Day GM, DiStasio RA, interaction of organic surfactants with metal-free ionic-based rupture of the Dzyabchenko A, van Eijck BP, Elking DM, goethite alpha-FeO(OH) surfaces, Rsc N-N linkage, Rsc Advances, (2017), 7, 44, van den Ende JA, Facelli JC, Ferraro MB, Advances, (2016), 6, 94, 91893 – 91903 27608 – 27611 Fusti-Molnar L, Gatsiou C-A, Gee TS, de Gelder R, Ghiringhelli LM, Goto H, Sathasivam S, Williamson BAD, Al Thabaiti Shephard JJ, Ling S, Sosso GC, Slater B, Salzmann CG, Is Grimme S, Guo R, Hofmann DWM, Hoja J, SA, Obaid AY, Basahel SN, Mokhtar M, Michaelides A, High-Density Amorphous Ice Simply a Hylton RK, Iuzzolino L, Jankiewicz W, de Scanlon DO, Carmalt CJ, Parkin IP, “Derailed” State along the Ice I to Ice IV Jong DT, Kendrick J, de Klerk NJJ, Ko H-Y, Chemical Vapor Deposition Synthesis Pathway?, Kuleshova LN, Li X, Lohani S, Leusen FJJ, and Optical Properties of Nb2O5 thin Journal of Physical Chemistry Lund AM, Lv J, Ma Y, Marom N, Masunov films with Hybrid Functional Theoretical Letters, (2017), 8, 7, 1645 – 1650 Insight into Band Structure and Band AE, McCabe P, McMahon DP, Meekes H, Sheppard TD, Benhamou L, Bucar DK, Metz MP, Misquitta AJ, Mohamed S, Gaps, ACS Applied Materials and Interfaces, (2017), 9, 21, 18031 – 18038 Walker D, Aliev AE, Synthesis of Monserrat B, Needs RJ, Neumann MA, substituted benzooxaborinin-1-ols Nyman J, Obata S, Oberhofer H, Oganov AR, via palladium-catalysed cyclisation Orendt AM, Pagola GI, Pantelides CC, Sathasivam S, Williamson BAD, Kafizas A, Althabaiti SA, Obaid AY, Basahel SN, of alkenyl- and alkynyl-boronic acids, Pickard CJ, Podeszwa R, Price LS, Journal of the Chemical Society, Perkin Price SL, Pulido A, Read MG, Reuter K, Scanlon DO, Carmalt CJ, Parkin IP, Computational and Experimental Study Transactions 1, (2016), DOI: 10.1039/ Schneider E, Schober C, Shields GP, C6OB01419D Singh P, Sugden IJ, Szalewicz K, Taylor CR, of Ta 2 O 5 Thin Films, Journal of Physical Tkatchenko A, Tuckerman ME, Vacarro F, Chemistry C, (2016), 121, 1, 202 – 210 Guo ZX, Anionic Dopants for Vasileiadis M, Vazquez-Mayagoitia A, Shevlin SA, Scanlon DO, Improved Optical Absorption and Enhanced Vogt L, Wang Y, Watson RE, de Wijs GA, Savory CN, Ganose AM, Exploring the PbS–Bi 2 S 3 Series for Photocatalytic Hydrogen Production in Yang J, Zhu Q, Groom CR, Report on the sixth blind test of organic crystal Next Generation Energy Conversion Graphitic Carbon Nitride, Chemistry of Materials, Chemistry of Materials, (2017), Materials, (2016), 20, 7250 – 7256 structure prediction methods, Acta 28, Crystallographica Section B: Structural 29, 12, 5156 – 5167 Shi JL, Wu JH, Zhao XJ, Xue XL, Gao YF, Science, Crystal Engineering and Materials, Savory CN, Walsh A, Scanlon DO, Can 72, 439 – 459 Guo ZX, Li SF, Substrate co-doping Pb-Free Halide Double Perovskites modulates electronic metal-support Support High-Efficiency Solar Cells?, RICHARDS DA, MARUANI A, Chudasama V, interactions and significantly enhances Antibody fragments as nanoparticle ACS Energy Lett, (2016), 1, 5, 949 – 955 single-atom catalysis, Nanoscale, (2016), targeting ligands: a step in the right 8, 46, 19256 – 19262 Schulze JO, Saladino G, Busschots K, direction, Chemical Science, (2016), 8, 1, Neimanis S, Süß E, Odadzic D, Zeuzem S, 63 – 77 Skelton JM, Burton LA, Jackson AJ, Oba F, Hindie V, Herbrand AK, Lisa MN, Alzari PM, Parker SC, Walsh A, Lattice dynamics Gervasio FL, Bidirectional Robertson JD, Ward JR, Avila-Olias M, Biondi RM, of the tin sulphides SnS2, SnS and Allosteric Communication between the Battaglia G, Renshaw SA, Targeting Sn2S3: vibrational spectra and thermal ATP-Binding Site and the Regulatory PIF neutrophilic inflammation using transport, Physical Chemistry Chemical Pocket in PDK1 Protein Kinase, Cell Chem polymersome-mediated cellular delivery, Physics, (2017), 19, 19, 12452 – 12465 Biol, (2016), 10, 1193 – 1205 Journal of Immunology, (2017), 198, 9, 3596 23, – 3604 Schusteritsch G, Kuehne TD, Guo ZX, Skelton JM, Burton LA, Parker SC, Walsh A, The effect of Ag, Pb and Bi Kim C-E, Soon A, Buckeridge J, Sokol AA, Robinson E, Nunes JPM, Vassileva V, Kaxiras E, impurities on grain boundary sliding Catlow CRA, Togo A, Tanaka I, Maruani A, Nogueira JCF, Smith MEB, and intergranular decohesion in Copper, Anharmonicity in the High-Temperature Pedley RB, Caddick S, Baker JR, Cmcm Phase of SnSe: Soft Modes and Chudasama V, Pyridazinediones deliver Philosophical Magazine, (2016), 96, 27, 2868 – 2886 Three-Phonon Interactions, Physical potent, stable, targeted and efficacious Review Letters, (2016), 117, 7 antibody–drug conjugates (ADCs) with a controlled loading of 4 drugs per antibody, Rsc Advances, (2017), 7, 15, 9073 – 9077

UCL Chemistry NEWSLETTER 39 PUBLICATIONS

Slater B, Ling S, POROUS MATERIALS Taylor FH, Buckeridge J, Catlow CRA, Walsh JJ, Lee JR, Draper ER, King SM, Look but don’t touch, Nature Materials, Defects and Oxide Ion Migration in the Jackel F, Zwijnenburg MA, Adams DJ, (2017), 16, 5, 501 – 502 Solid Oxide Fuel Cell Cathode Material Cowan AJ, Controlling Visible Light LaFeO3, Chemistry of Materials, (2016), 28, Driven Photoconductivity in Self- Slater B, Michaelides A, Salzmann CG, 22, 8210 – 8220 Assembled Perylene Bisimide Lohmann U, A blue-sky approach to Structures, Journal of Physical Chemistry understanding cloud formation, Bulletin- Tian X, Brookes O, Battaglia G, Pericytes C, (2016), 120, 33, 18479 – 18486 American Meteorological Society, (2016), from Mesenchymal Stem Cells as a 97, 10, 1797 – 1802 model for the blood-brain barrier, Wan S, Bhati AP, Skerratt S, Omoto K, Scientific Reports, (2017), 7, 39676 – 39676 Shanmugasundaram V, Bagal SK, Coveney Smoktunowicz N, Platé M, Stern AO, PV, Evaluation and Characterization of D’Antongiovanni V, Robinson E, Tian X, Zhu Y, Zhang M, Luo L, Wu J, Trk Kinase Inhibitors for the Treatment of Chudasama V, Caddick S, Scotton CJ, Zhou H, Guan L, Battaglia G, Tian Y, Pain: Reliable Binding Affinity Predictions Jarai G, Chambers RC, TGFβ upregulates Localization matters: a nuclear targeting from Theory and Computation, Journal of PAR-1 expression and signalling responses two-photon absorption iridium complex Chemical Information and Modeling, (2017), in A549 lung adenocarcinoma cells, in photodynamic therapy, Chemical 57, 4, 897 – 909 Oncotarget, (2016), 7, 40, 65471– 65484 Communications, (2017), 53, 23, 3303 – 3306 Wan S, Bhati AP, Zasada SJ, Wall I, Song J, Zhao D, Han Z, Xu W, Lu Y, Liu X, Tilocca A, Dynamical descriptors of Green D, Bamborough P, Coveney PV, Liu B, Carmalt CJ, Deng X, Parkin IP, Super- bioactivity: a correlation between Rapid and Reliable Binding Affinity robust superhydrophobic concrete, chemical durability and ion migration in Prediction of Bromodomain Inhibitors: A Journal of Materials Chemistry A, (2017), 5, biodegradable glasses, Physical Chemistry Computational Study, Journal of Chemical 28, 14542 – 14550 Chemical Physics, (2017), 19, 9, 6334 – 6337 Theory and Computation, (2017), 13, 2, 784 –795 Sosso GC, Tribello GA, Zen A, Pedevilla P, Tocci G, Hussain H, woolcot T, Torrelles X, Ice formation on kaolinite: Michaelides A, Pang CL, Humphrey DS, Yim CM, Grinter Wang C, Fu X, Guo Y, Guo Z, Xia C, Jia Y, Insights from molecular dynamics D, Cabailh G, Bikondoa O, Lindsay R, The band gap scaling laws in group IV simulations, Journal of Chemical Physics, Zegenhagen J, Michaelides A, Thornton G, nanotubes, Nanotechnology, (2017), DOI: (2016), 145, 21 Structure of a model TiO2 photocatalytic 10.1088/1361-6528/aa5b3e interface, Nature Materials, (2016), 16, 4, Sotelo-Vazquez C, Quesada-Cabrera R, 461 – 466 Wang L, Gupta K, Goodall JB, Darr JA, Ling M, Scanlon DO, Kafizas A, Thakur PK, Holt KB, In situ spectroscopic monitoring Lee TL, Taylor A, Watson GW, Palgrave RG, Tocher DA, Khan MM, Alam M, Ghosh S, of CO2 reduction at copper oxide Durrant JR, Blackman CS, Parkin IP, Rahaman A, Richmond MG, Kabir SE, electrode, Faraday Discussions, (2016), Evidence and Effect of Photogenerated Roesky HW, Reactions of Ru3(CO)10(μ- 197, 517 – 532 Charge Transfer for Enhanced dppm) with Ph3GeH: Ge–H and Ge–C Photocatalysis in WO3/TiO2 bond cleavage in Ph3GeH at triruthenium Weitsman G, Mitchell NJ, Evans R, Cheung Heterojunction Films: A Computational clusters, Journal of Organometallic A, Kalber TL, Bofinger R, Fruhwirth GO, and Experimental Study, Advanced Chemistry, (2017), 843, 75 – 86 Keppler M, Wright ZV, Barber PR, Gordon Functional Materials, (2017), 27, 18, Article P, de Koning T, Wulaningsih W, Sander 1605413 Treacy JPW, Hussain H, Torrelles X, Grinter K, Vojnovic B, Ameer-Beg S, Lythgoe M, DC, Cabailh G, Bikondoa O, Nicklin C, Arnold JN, Årstad E, Festy F, Hailes HC, Spinlove KE, Vacher M, Bearpark M, Robb MA, Selcuk S, Selloni A, Lindsay R, Thornton G, Tabor AB, Ng T, Detecting intratumoral Worth GA, Using quantum dynamics Geometric structure of anatase TiO2(101), heterogeneity of EGFR activity by simulations to follow the competition Physical Review B, (2017), 95, 7 liposome-based in vivo transfection of a between charge migration and charge fluorescent biosensor, Oncogene, (2017), transfer in polyatomic molecules, Tummeltshammer C, Portnoi M, Mitchell DOI: 10.1038/onc.2016.522 Chemical Physics, (2017), 482, 52 – 63 SA, Lee A-T, Kenyon AJ, Tabor AB, Papakonstantinou I, On the Ability of Wilden JD, Gray VJ, The chemistry of Stahl T, Bofinger R, Lam I, Fallon KJ, Johnson P, Förster Resonance Energy Transfer ynol and thioynol ethers, Journal of the Ogunlade O, Vassileva V,Pedley RB, to Enhance Luminescent Solar Chemical Society, Perkin Transactions 1, Beard PC, Hailes HC, Bronstein H, Concentrator Efficiency, Nano Energy, (2016), 14, 41, 9695 – 9711 Tabor AB, Tunable Semiconducting (2016), 32, 263 – 270 Polymer Nanoparticles with INDT-Based Williamson BAD, Buckeridge J, Brown J, Conjugated Polymers for Photoacoustic Vallejos S, Pizurova N, Gracia I, Sotelo- Ansbro S, Palgrave RG, Scanlon DO, Molecular Imaging, Bioconjugate Vazquez C, Cechal J, Blackman C, Parkin I, Engineering Valence Band Dispersion for Chemistry, (2017), 28, 6, 1734 –1740 Cane C, ZnO Rods with Exposed {100} High Mobility p-Type Semiconductors, Facets Grown via a Self-Catalyzed Chemistry of Materials, (2016), DOI: Su H-L, Sredojevic DN, Bronstein H, Vapor-Solid Mechanism and Their 10.1021/acs.chemmater.6b03306 Marks TJ, Schroeder BC, Al-Hashimi M, Photocatalytic and Gas Sensing Bithiazole: An Intriguing Electron- Properties, ACS Applied Materials and Wills AS, A historical introduction to the Deficient Building for Plastic Electronic Interfaces, (2016), 8, 48, 33335 – 33342 symmetries of magnetic structures. Part Applications, Macromolecular Rapid 1. Early quantum theory, neutron powder Communications, (2017), 38, 10 Walker KT, Nan R, Wright DW, Gor J, diffraction and the coloured space groups, Bishop AC, Makhatadze GI, Brodsky B, Powder Diffraction, (2017), 32, 2, 148 –155 Abraham MH Subirats X, Muñoz-Pascual L, , Perkins SJ, Non-linearity of the collagen Rosés M, Revisiting blood-brain barrier: triple helix in solution and implications Witman M, Ling S, Gładysiak A, Stylianou KC, A chromatographic approach, Journal of for collagen function, Biochemical Journal, Smit B, Slater B, Haranczyk M, Rational Pharmaceutical and Biomedical Analysis, (2017), 474, 2203 – 2217 Design of a Low-Cost, High-Performance (2017), 145, 98 – 109 Metal-Organic Framework for Hydrogen Storage and Carbon Capture, Journal of Tay J, Parkes MA, Addison K, Chan Y, Walsh A, Sokol AA, Buckeridge J, Scanlon DO, Catlow CRA, Electron Counting in Physical Chemistry C, (2016), 121, 2, 1171 Zhang L, Hailes HC, Bulman Page PC, – 1181 Meech SR, Blancafort L, Fielding HH, Solids: Oxidation States, Partial Charges, The Effect of Conjugation on the Competition and Ionicity, Journal of Physical Chemistry Witman M, Ling S, Jawahery S, Boyd PG, between Internal Conversion and Electron Letters, (2017), 8, 9, 2074 – 2075 Haranczyk M, Slater B, Smit B, The Detachment: A Comparison between Influence of Intrinsic Framework Green Fluorescent and Red Kaede Protein Flexibility on Adsorption in Nanoporous Chromophores, Journal of Physical Chemistry Materials, Journal of the American Letters, (2017), 8, 765 – 771 Chemical Society, (2017), 139, 15, 5547 – 555

40 UCL Chemistry NEWSLETTER PUBLICATIONS

Wright B, Nakajima Y, Clarke TM, Okuda Zeinalipour-Yazdi CD, Loizidou EZ, K, Paananen H, Mozer AJ, Mori S, Study of the cap structure of (3,3), (4,4) Quantifying Recombination Losses and (5,5)-SWCNTs: Application of the during Charge Extraction in Bulk sphere-in-contact model, Carbon, (2017), Heterojunction Solar Cells Using a 115, 819 –827 Modified Charge Extraction Technique, Laser Physics Review, (2017), 7, 11, Article Zhang J, Tang P, Liu T, Feng Y, Blackman 1602026 C, Li D, Facile synthesis of mesoporous hierarchical Co3O4-TiO2 p-n Wu L, Dzade NY, Gao L, Scanlon DO, heterojunctions with greatly enhanced Öztürk Z, Hollingsworth N, Weckhuysen gas sensing performance, Journal of BM, Hensen EJM, de Leeuw NH, Hofmann Materials Chemistry A, (2017), 5, 21, 10387 JP, Enhanced Photoresponse of FeS2 –10397 Films: The Role of Marcasite-Pyrite Phase Junctions, Advanced Materials, Zhang K, Abraham MH, Liu X, An (2016), 28, 43, 9602 – 9607 equation for the prediction of human skin permeability of neutral molecules, ions Catlow CRA, Xie Z, Sui Y, Buckeridge J, and ionic species, Int. J. Pharmaceutics, Scanlon DO, Keal TW, Sherwood P, Walsh A, (2017), 521, 259-266 Woodley SM, Sokol AA, Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM, Zhang W, Howell SC, Wright DW, Heindel A, Qiu X, Chen J, Curtis JE, Combined physica status solidi (a), (2017), 214, 4, Monte Carlo/torsion-angle molecular Article 1600445 dynamics for ensemble modeling of proteins, nucleic acids and Yermukhambetova A, Bakenov Z, Zhang carbohydrates, Journal of Molecular Y, Darr JA, Brett DJL, Shearing PR, Graphics and Modelling, (2017), 73, 179 – 190 Examining the effect of nanosized Mg0.6Ni0.4O and Al2O3 additives on S/ polyaniline cathodes for lithium-sulphur Zhang X, Flexible and Mechanically Robust Superhydrophobic Silicone batteries, Journal of Electroanalytical Surfaces with Stable Cassie-Baxter Chemistry, (2016), 780, 407 – 415 State, Journal of Materials Chemistry A, (2016), 4, 37, 14180 – 14186 Yermukhambetova A, Tan C, Daemi SR, Bakenov Z, Darr JA, Brett DJL, Shearing PR, Exploring 3D microstructural Zhang XL, Huang W, Gu A, Xiang W, evolution in Li-Sulfur battery electrodes Huang F, Guo ZX, Cheng Y-B, Spiccia L, High efficiency solid-state dye-sensitized using in-situ X-ray tomography, Scientific solar cells using a cobalt( ii / iii ) redox Reports, (2016), 6, DOI: 10.1038/srep35291 mediator, Journal of Materials Chemistry C, (2017), DOI: 10.1039/C7TC00994A Yilmaz G, Messager L, Gleinich AS, Mitchell DA, Battaglia G, Becer CR, Glyconanoparticles with controlled Zhao XJ, Shan WW, He H, Xue X, Guo morphologies and their interactions with ZX, Li SF, From single atoms to self- assembled quantum single-atomic a dendritic cell lectin, Polymer Chemistry, nanowires: noble metal atoms on black (2016), 7, 41, 6293 – 6296 phosphorene monolayers, Physical Chemistry Chemical Physics, (2017), 19, 11, Yusuf M, Zhang F, Chen B, Bhartiya A, 7864 – 7870 Cunnea K, Wagner U, Cacho-Nerin F, Schwenke J, Robinson IK, Procedures for cryogenic X-ray ptychographic imaging Zhu Y, Underwood J, Macmillan D, Shariff L, O’Shaughnessy R, Harper JI, of biological samples, IUCrJ, (2017), 4, 147 – 151 Pickard C, Friedmann PS, Healy E, Di WL, Persistent kallikrein5 activation induces atopic dermatitis-like skin architecture DFT study of the Zeinalipour-Yazdi CD, independent of PAR2 activity, Journal of coverage-dependent chemisorption of Allergy and Clinical Immunology, (2017), molecular H2 on neutral cobalt dimers, DOI: 10.1016/j.jaci.2017.01.025 Surface Science, (2016), 656, 54 – 59

Zeinalipour-Yazdi CD, Catlow CRA, Zhuang A, Liao R, Dixon SC, Lu Y, A Computational Study of the Sathasivam S, Parkin IP, Carmalt CJ, Heterogeneous Synthesis of Hydrazine Transparent superhydrophobic PTFE on Co3Mo3N, Catalysis Letters, (2017), 147, films via one-step aerosol assisted 7, 1820 – 1826 chemical vapor deposition, Rsc Advances, (2017), 7, 47, 29275 – 29283 Zeinalipour-Yazdi CD, Hargreaves JSJ, Catlow CRA, DFT-D3 Study of Molecular N2 and H2 Activation on Co3Mo3N Surfaces, Journal of Physical Chemistry C, (2016), 120, 38, 21390 – 21398 Lab images by Michael J Phillips

Zeinalipour-Yazdi CD, Hargreaves JSJ, Laassiri S, Catlow CRA, DFT-D3 study of H2 and N2 chemisorption over cobalt promoted Ta3N5-(100), (010) and (001) surfaces, Physical Chemistry Chemical Physics, (2017), 19, 11968 – 11974

UCL Chemistry NEWSLETTER 41 STAFF

R. Richardson X. Han Staff P. Senecal A. Jackson J. Swadling A. Jorge Sobrido Departmental Structure B. Tegner M. Ling A. Thetford S. Ling Head of Department: M. Wassaux L. McCafferty C.J. Carmalt S. Wan T. Miller Departmental Undergraduate D. Wright K. Page Tutor/Deputy Head of Department S. Zasada H. Patel (Teaching) C. Zeinalipour-Yazdi M. Powell D.W. Lewis R. Quesada Cabrera PhD Students: J. Restivo Deputy Head of Department S. Austin., M. Baise., L. Bennett., S. Sathasivam (Administration): A. Bhati., D. Chaopradith., S. Escher., S. Shevlin D.A. Tocher A. Z. Essadek., R. Fletcher., A. Ganose., C. Sotelo Vazquez A. Gould., P. Guiglion., C. Hernandez C. Starkey Head of Physical Chemistry & Tamargo., L. Hovan., R. Hylton., H. Islam., W. Travis Chemical Physics Section: L. Luzzolino., S. Jovanovic., A. Lai., M. Wang H.H. Fielding N. Laver., E. Makkos., G. Mancardi., M. Wilding Head of Materials and Inorganic K. McColl., R. Mehta., H. Morgan Stewart., Chemistry Section: V. Oleinikovas., E. Olsson., Q. Parker., Senior Research and Section Lab L. Parshotam., J. Pegg., J. Prime., C.J. Carmalt Manager: E. Pucheta Martinez., A. Rashidi., M. Vickers Head of Organic Chemistry & K. Rigby., S. Rogers., C. Savory., Chemical Biology Section: G. Storey., F. Taylor., R. Ting., R. Watson., Materials Inorganic PhD Students: J.C. Anderson J. Wellington., B. Williamson. M. Agote Aran., Y. Al-Hamdani.,

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Lecturers: Ramsay Memorial Fellowship: Undergraduate Admissions Tutor: H. Bronstein A. Logsdail K. Bucar K. Bucar V. Chudasama Research Fellows: Laboratory Teaching Fellow: A. Poma V. Hilbourne Research Fellow: L. Rizzelo S. Potts F. King A. Roffey Senior Research Associate: NMR Manager and Senior Research L. Ruiz-Perez Fellow: Chemistry Workshop A. Aliev Senior Research Associate & Lab Manager: Classroom Manager: Senior Associate and Senior Lab C. Pang P. Hayes Manager: H. Grounds Senior Associate & Section Lab Classroom Technician: Manager: D. Webb Research Associates: M. Parkes L. Benhamou Computing Officers: J. Burns Research Associates: D. Ladd K. Ermanis D. Cecchin L. Willoughby K. Fallon L. Chierico C. Fernandez Garcia F. Comitani Electronics Officer: V. Gray N. D’Amelio T. Bernard S. Islam D. Grinter A. Maruani L. Guan EM Technician: D. Mendez Sanchez T. Lazauskas S. Firth M. Radigois M. Magon D. Richards S. Makarchuk Glassblower: F. Subrizi J. Marin Beloqui J. Cowley Y. Xing T. Otten Y. Pei Instrument Workshop Technician: PhD Students: C. Pruteanu T. Bridges K. Ashe., P. Canavelli., C. Chang., L. Rodriguez Arco M. Chowdhury., A. J. Coggins., A. Rosu-Finsen Lab Manager Coordinator: C. Coomber., M. Corpinot., B. Deng., E. Scarpa A. Philcox R. Dickman., J. Donnelly., A. Dunbabin., B. Wang K. Fallon., C. Foden., A. Forster., N. Forte., Y. Zhang Mass Spectrometry Manager: D. Freeman.,S. Gibson., N. Grefenstette., K. Karu T. Hayes., S. Higson., V. Karaluka., PhD Students: M. Lee., L. Leipold., A. Leventis., M. Allan., R. Beekmeyer., A. Bhati., Microanalysis Technician: W. G. Lim., Y. Luo., R. Marchington., M. Calleja., S. Campos de Souza., G. Maxwell S. Mitchell., A. Mountain., S. Newgas., E. Connolly., C. Contini., J. Cotton., H. Nguyen., A. Nikmal., J. Nogueira., M. Culter., P. Di Pietro., M. Diallo., Natural Sciences Lab Technician: S. Pacman., R. Promontorio., G. Pugh., O. Dicks., C. De Pace., S. Escher., D. Allen., M. Towner S. Roberts., J. Rudman., M. Sabatini., F. Gossan., L. Guan., G. Harrison., H. Story., A. Syed., O. Ware., T. Waugh., M. Hart., C. Higgins., L. Hovan., Safety Officer: R. Westbrook., X. Zhang., J. Zhao. R. Hylton., L. Iuzzolino., C. Jesus., B. Kavanagh

S. Jovanovic., E. Liatsi Douvitsa., Senior Classroom Technician: C. Lopez Vazquez., M. Lounasvuori., C. Medley Physical Chemistry & R. Malinowski., G. Marchello.,

A. Mellor., I. Nadeem., V. Oleinikovas., Chemical Physics Senior Instrument Technician/ L. Parshotam., D. Payne., J. Prime., Buildings Manager: E. Pucheta Martinez., J. Riley., Professors: J. Nolan G. Battaglia M. Rosillo-Lopez., J. Shaikh., B. Shaw., H.H. Fielding J. Strand., T. Suter., B. Taylor., L. Wang., Storekeeper/Purchasing Officer: S. D. Price O. Williams., J. Woodhouse., S. Zakaria T. Fields G. Thornton Teaching Lab Technician: Readers and Senior Lecturers: Teaching C. Gacki D.J. Caruana K.B. Holt Director of Postgraduate Studies: Workshop Manager: D.M. Rowley F. L. Gervasio R. Gollay C. Salzmann A.S. Wills Director of Undergraduate Studies: Workshop Technicians: D. W. Lewis J. Benbow Lecturers: J. Stevenson M. Blunt EngD Coordinator: T. Otten T. Clarke Z. Du C. Hirjibehedin MSc Coordinator: G. Volpe C. Blackman

UCL Chemistry NEWSLETTER 43 STAFF

Administrative Staff Finance Officer: Emeritus Staff: L. Mulcahy M. H. Abraham Administration Assistant: J. E. Anderson HR Administrator: C. Bedford F. Hussain J. K. James R. J. H. Clark A. G. Davies Project Coordinator, UK Catalysis Administration Assistant, UK P. Day Hub (Harwell Campus): Catalysis Hub (Harwell Campus): A. Deeming J. Goodall C. Anyika J. R. G. Evans C. R. Ganellin Research Administrator: Assistant Finance Administrator: P. J. Garratt Y. Moscou N. Smith M. Johnson Senior Teaching & Learning W. Motherwell Crystal Structure Prediction Group Postgraduate Administrator: F. Pearce Manager: J. Butorac J. H. Ridd L. Price B. Roberts Senior Teaching & Learning P. Smith Departmental Administrator: Undergraduate Administrator: S. Walmsley E. A. Read M. Kelly

EA to the Head of Department and Lead HR Officer and Marketing & Communications Officer: N. Phillips

Call for stories If you have a story to share & would be willing to write a piece for next years Newsletter, we would love to hear from you. Please email: [email protected] with subject heading “Newsletter Story”.

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