Battery Safety: All Solid State 20 How You Can Contribute20 October 2017 31 and Colleges of Cambridge

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Chemistry at Cambridge Magazine

SUMMER 2017 ISSUE 55 Paper Height 630.0mm

New Look augmented chemistry

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To access the animated 3D structure of trans-beta-lactam, first, scan the QR code (top image) – recommended browser Firefox Mozilla. (Instructions are provided by clicking on the question mark in the left-hand corner of the webpage.)

If you then click on the augmented reality button and accept the camera request, Chemistry Open Day you may then scan the 2D marker (bottom image) to see the 3D augmented structure overlay on your device screen. Heathrow and air pollution

Women in Chemistry: Ana Belenguer www.ch.cam.ac.uk 12.0mm

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19.0mm 19.0mm Noticeboard 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm Bang Huynh, PhD ContentsRecognitions Cambridge International Appointments Welcome

Oded Rimon, PhD and awards and promotions On the cover... NEWS Cambridge InternationalOUTREACH Be a part of the future with a gift in your Will

Eric Zhao, PhD A gift in your Will is a wonderful way to help the department flourish far into the future, and for you to be he early months of the year are usually extremely busy and this Cambridge International able to make a significant and lasting contribution. Such a gift can open up a world of opportunity for future year has been no exception. In March the department pulls students, researcherstogether in aand great academics, communal helping effort to to provide support the the environment Cambridge and tools they need to continue to Benjamin Williams, PhD achieve great things. Professor Clare Grey Vice-Chancellor’s Award Professor Jane Clarke Science Festival. We host the Salters’ Festival, promoting Elected Foreign member of the Elected the 6th President of Wolfson chemistry for school children from Year 8 and 9. About 60 American Academy of Arts & Science Jessica Day, PhD College. She takes up the post in TchildrenFor further from information many schools about have the the impact opportunity of a legacy, to spend and guidance a day in the on how to leave a gift to the Department Vice-Chancellor’s Award October 2017 departmentof Chemistry taking in your part Will, in please serious contact (and fun!) Head practical of Department chemistry Professor activities. John Pyle atTrans-beta-lactam molecule and its Royal Society of Chemistry Prizes [email protected] parallel, we run our enormously successful Chemistry Open Day. corresponding hand-drawn 2D marker & Awards Abigail Hanby, PhD Interdisciplinary Lectureships, (see New Look: augmented chemistry, Vice-Chancellor’s Award autumn 2017 page 16). Back cover: QR code and 2D More than two thousand people, young and old, come through our doors. It’s a great marker for trans-beta-lactam. Jane Clarke becomes opportunity to give people the chance to see some of the amazing work we do here. For many Alasdair Keith, PhD Dr Hugo Bronstein, of the young visitors it is their first experience of science and it’s wonderful to see the excitement Department of Chemistry Wolfson President Vice-Chancellor’s AwardChemistry OpenFunctional Day Materials, joint with Physics University of Cambridge on their faces. I’d like to thank James Keeler, Emma Powney and all the volunteers who prepare Lensfield Road 8 12 and manage the many fascinating demos and workshops that we put on for the public. As ever, Cambridge CB2 1EW

Antanas Radzevicius, PhD Dr Robert Jack,

Professor Melinda Duer Soft Matter, joint with Applied Maths Peter Wothers’ explosive lecture was one of the highlights, among many. 1.34mm 13.01mm 0.672mm 0.336mm 0.672mm Vice-Chancellor’s Award Interdisciplinary Prize 01223 761479 RESEARCH WOMEN IN CHEMISTRY [email protected] Daniel Sharpe, PhD Dr Anja Schmidt, The Chemistry of Health building is on track for completion in early 2018, further supported by www.ch.cam.ac.uk Professor Stephen Elliott Vice-Chancellor’s Award Climate Modelling, joint with a recent donation of £5 million from R. Derek Finlay towards the cost of the building and to fund @ChemCambridge John B Goodenough Award Geography research into neurodegenerative diseases. Derek’s wife Una suffered from Alzheimer’s disease Views expressed in this magazine are and died in 2016 (page 7). We are enormously grateful for his wonderfully generous donation. 210.0 x 297.0mm 210.0 x 297.0mm Professor Tuomas Knowles 210.0Julian Vigil, MPhil x 297.0mm 210.0 x 297.0mm not necessarily those of the Editor, 210.0 x 297.0mm 210.0 x 297.0mm (further details in future issues of the Department of Chemistry or the Corday-Morgan Prize Churchill Scholar Chem@Cam). I’m pleased to announce Sir John Sulston as the 2nd recipient of the Department of Chemistry University of Cambridge. Anthony Tabet, MPhil Dr Steve Lee Alumni Medal. The medal recognises services to the community that have brought honour Print: Sterling Solutions 13.01mm 2.02mm 1.01mm Marlow Award Churchill Scholar to the University of Cambridge Department of Chemistry. Sir John is a former member of the Upcoming department and Nobel Laureate. He was a founding director of the Wellcome Trust Sanger Copyright 2017 Rosie Bell, MPhil Department of Chemistry, Scholarships awarded for 2017 entry Institute and a major influence in the development of gene mapping and DNA sequencing University of Cambridge Newton College Masters events techniques. He is an advocate for open access to genetic information and describes the idea of Chem@Cam is published twice a year, Peter Bolgar, PhD patenting DNA as immoral and damaging to science. The Medal will be presented at an event and is sent free to chemistry alumni, Professor Jean-Marie Lehn Lecture postdoctoral researchers, retired staff Herchel Smith Heathrow and 22 June 2017 mid October 2017. and friends of the department. Tegan Stockdale, PhD air pollution Ana BelenguerSutton Trust Summer School In a novel initiative of the School of Physical Sciences, nine new interdisciplinary lectureships, the Herchel Smith CONTRIBUTORS 18 14 – 18 August 201726 positions to be held jointly in two departments, have recently been created. Chemistry is pleased that three of these lectureships will be associated with us. The lecturers, Drs Hugo Bronstein Akhila Denduluri, PhD Karen Stroobants and Carmen Pryce Protein Folding, Evolution and (Functional Materials, joint with Physics), Robert Jack (Soft Matter, joint with the Department Gates Cambridge George Trenins Editor Letter from the Head of Department PhD students selected3 Big to representData used to tackle antibioticInteraction resistance Symposium 22 of Applied Mathematics and Theoretical Physics), and Anja Schmidt (Climate Modelling, joint the department at the Lindau Nobel 03 – 05 September 2017 with Geography) will all start in the autumn. I am very excited to see how these appointments Diane Harris SandileQ&A: Anthony Mtetwa, Stone MPhil 4 Light makes biomass produce clean hydrogen 23 Gates Cambridge Laureate Meetings 2017 develop and enrich our already very diverse research areas. We’ll feature their research in future Contributing editor Call My Bluff wine tasting editions of Chem@Cam. News 6 Reflections on electron 22microscopy September (further details to be 23 Grant Simpson, MPhil Nathan Pitt announced) GatesCorrespondence Cambridge 10 Visualising the genome 24 Finally, I hope you enjoy the mix of research items included in this issue (pages 16 – 25). We have Head of Photography and Reprographics Chemistry Showcase Week articles from the Grey, Lee, Klenerman, Jones, Reisner, Bender and Ley Groups. Plus contributions JessicaChemistry Waters, Open PhD Day 2017 12 Hydrogen bond debate settled? 25 25 – 29 September 2017 from emeritus staff Anthony Stone and Sir John Meurig Thomas. Walters Kundert Gabriella Bocchetti Salters’ Festival of Chemistry 2017 15 Women in Chemistry: Ana Belenguer 26 Photographer Department of Chemistry Alumni David Izuogu, PhD

Medal presentation 12.0mm CambridgeNew Look: augmentedAfrica Scholarship chemistry 16 As I see it: Oliver Pecher 28 Contributing reporters: 19 October 2017 Mike Gaultois, Kent Griffith Heathrow and air pollution 18 Noticeboard 30 Graduate Admissions Open Day John Pyle TheHead campaign of Department for the University Battery safety: All Solid State 20 How you can contribute20 October 2017 31 and Colleges of Cambridge

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−2 −−−−−−− 0−−−−−−−−3 −−−−−−− 32 −−−−−−−−−−−−−−− 31 −−−−−−−−−−−−−−− 30 −−−−−−−−−−−−−−− 29 −− −−−−−−−−−−−−− 28 −−−−−−−−−−−−−−− 27 −−−−−−−−−−−−−−− 26 −−−−−−−−−−−−−−− 25 −−−−−−−−−−−−−−− 24 −−−−−−−−−−−−−−− 23 −−−−−−−−−−−−−−− 22 −−−− −−−−−−−−−−− 21 −−−−−−−−−−−−−−− 20 −−−−−−−−−−−−−−− 19 −−−−−−−−−−−−−−− 32 18 −−−−−−−−−−−−−−− 31 −−−−−−−−−−−−−−− −−−−−−−−−−−−−−− 17 −−−−−−−−−−−−−−− 30 16 −−−−−−−−−−−−−−− 29 −− −−−−−−−−−−−−− −−−−−−−−−−−−−−− 15 −−−− −−−−−−−−−−− 28 14 −−−−−−−−−−−−−−− 27 −−−−−−−−−−−−−−− −−−−−−−−−−−−−−− 13 −−−−−−−−−−−−−−− 26 12 −−−−−−−−−−−−−−− 25 −−−−−−−−−−−−−−− −−−−−−−−−−−−−−− 11 −−−−−−−−−−−−−−− 24 10 −−−−−−−−−−−−−−− 23 −−−−−−−−−−−−−−− −−−−−−−−−−−−−−− 9 −−−−−−−−−−−−−−− 22 8 −−−− −−−−−−−−−−− 21 −−−−−−−−−−−−−−− −−−−−−−− −−−−−−− 7 −−−−−−−−−−−−−−− 20 6 −−−−−−−−−−−−−−− 19 −−−−−−−−−−−−−−− −−−−−−−−−−−−−−− 5 −−−−−−−−−−−−−−− 18 4 −−−−−−−−−−−−−−− 17 −−−−−−−−−−−−−−− −−−−−−−−−−−−−−− 3 −−−−−−−−−−−−−−− 16 2 −−−−−−−−−−−−−−− 15 −−−− −−−−−−−−−−− −−−−−−−−−−−−−−− 1 −−−−−−−−−−−−−−− 14 −−−−−−−−−−−−−−− 13 −−−−−−−−−−−−−−− 12 −−−−−−−−−−−−−−− 11 −−−−−−−−−−−−−−− 10 −−−−−−−−−−−−−−− 9 −−−−−−−−−−−−−−− 8 −−−−−−−− −−−−−−− 7 −−−−−−−−−−−−−−− 6 −−−−−−−−−−−−−−− 5 −−−−−−−−−−−−−−− 4 −−−−−−−−−−−−−−− 3 −−−−−−−−−−−−−−− 2 −−−−−−−−−−−−−−− 1 −−−−−−−−−−−−−−−

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PeopleQ&A

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“We realised others would want and could benefit from a working As I see it… relationship that bridges the gap between research and industry.” Oliver Pecher

Dr Oliver Pecher specialises in the application of solid-state nuclear magnetic resonance (NMR) spectroscopy. He’s particularly interested in the design of new in situ NMR techniques to study battery materials. Until very recently, February 2017, he was a postdoctoral research associate and MarieAnthony Skłodowska-Curie Fellow in the Materials Chemistry group of Professor Clare Grey. Now, based back home in Germany, he uses his expertise to help others prepare and develop their research experiments using NMR. Oliver talks us through what he did in the department and what he plans to do in the Stonenear future.

am a solid-state chemist and joined the Grey Group to study the properties and President of the company and I’ll work as an application scientist and account

0.336mm 0.672mm 13.01mm 0.336mm 1.34mm 0.672mm 0.672mm 13.01mm 1.34mm Anthony Stone was Professorperformances of Theoretical of battery Chemistry materials for lithium and sodium-ion technologies. I specialise manager. I will help customers to define their, often very complex, problems 0.672mm in the department until 2006.in a technique And although called officially NMR spectroscopy, which is comparable to magnetic or challenges. I will work with researchers and industry to find the right retired you can still find him,resonance in the emeritus imaging staff (MRI) bodyoffice, scanners in hospitals, where strong magnetic experiments and then design and develop those experiments. It’s most days of the week. In his recentfields publication,are involved. Anthony basically a new position within the company that came about argues that the long standingI debate around hydrogen after we worked together on various projects for the Grey 210.0 x 297.0mm 210.0 x 297.0mm bonds is now settled (pageThis 25). method Here, Anthonyproduces210.0 completesinformation x about 297.0mm what the sample material is made of Group.210.0 We realised x others 297.0mm would want and could benefit from 210.0 x 297.0mm 210.0 x 297.0mm and what keepsthe Chem@Cam it together. MyQ&A. particular interest is real-time investigations a working relationship that bridges the gap between research of the batteries. I try to understand why something is happening while and industry. the device is working rather than after the process has ended. Applying in situ NMR on batteries doesn’t come without its challenges and hardware I always thought I would go down the pure research path. I modifications are required – and that’s where I come in. I focus on the absolutely enjoyed my time in the Grey Group, working with design and development of new hardware and equipment to make these so many great postdoc colleagues and students on different experiments actually happen. approaches to problems – theoretical, experimental – the synergy of combining complementary information to learn What is your earliest memory?Until relatively recently,What it iswasn’t the trait possible you deploreto do in situmost NMR in investigationsWhat was your biggest discovery? attach to proteins, you can’t explain somethingSpeaking new about of collaborations, the materials. what I thought is I wouldWhat go is backyour blood type? The only thing I can reallywith bring high to mindefficiency. yourself? Putting a ‘real’ battery (we actually use modelMaking a minor discovery that how drugs work. So, this really very to Germany,your joinreaction a lab, to apply your for former a huge PhD grant, and hopefully A negative get it – my wife was relieved because is seeing the night sky. I grewsystems up duringthat are as Payingclose to too reality much as attentionpossible) intoto detail. one of the NMRopened up a new area of research simple discovery gave an entry into oneand go postdocon to become Sally Pricea professor. (now ProfessorI thought, if I joinshe’s a negative too. World War II and in blackoutsmachines it was and very looking at how it functions while it’s operating requiresin intermolecular forces. In 1981 I aspect of intermolecular forces, and companyof PhysicalI would lose Chemistry this great at network University – lose dark at night, so I got a wonderfulnew methods. view WhatWhat we’ve or developed who is the is greatest a specially love designed of in workedsitu NMR out a simple and very efficient led to further research, calculating thethe connectionCollege London)to this amazing becoming research FRS? What type of music do you listen to? of the stars. probehead. It’s basicallyyour alife? very expensive radio that can automaticallymethod of calculating the electrostatic other components of intermolecular world andI’m delighted I didn’t want for her. that. It’s But excellent. moving Of Classical and country dance music. tune to different frequencies,My wife, Sybil. be recalibrated We married if in needed,1967, she and is potentialalso around a molecule, which I interactions. to workcourse, in Germany she extended now means the description I get of What makes you happy?highly shielded to preventwas a GP. interferences between the circuits ofcalled the distributed multipole analysis. to see thesomething electrostatic of industry interactions but Ibetween Is there something you constantly Being at home with my wife,battery dancing (the electrochemistry) and one of the NMR measurements.It allowed us for the first time to This work was carried out over a numberalso staymolecules very close by developingto research an– anisotropic lose at home or elsewhere? with my friends. Who would play you in the film of describe the electrostatic part of the of years in collaboration with Alston and I getatom-atom to see my description wife – so ofit’s the repulsive No, my wife is the one who loses things. This new tool allowsyour us to life? put a sample – a battery – into the magneticinteraction between molecules simply Misquitta, now at Queen Mary Universitybeneficial forces, for initially all sides. to explain the unexpected I’m the one who finds them.

Which dead chemist dofield, you most capture and Nevermeasure thought what’s aboutgoing it. on. Bill Nighy?We also - EDbuilt a robotbut accurately. This was important of London. crystal structure of chlorine (Cl2). And then admire? attachment for the probeheads, which automates some of the processes,fundamental science. We’re dealing And I shestill hashave applied a connection it very effectively to to the Have you been pulled over by the Michael Faraday. and allows us to set-up,What run, is the and worst monitor job long you’ve experiments done? withoutwith the forces that make molecules Reference: Alston J. Misquitta and the Greystudy Group and prediction through GREY of molecular crystal police? need for manual checking.A holiday job washing cars. stick together and it’s important to Anthony J. Stone: Ab initio atom–atom MATTERstructures, Enterprises with –important but that’s applications in Yes, in the states for crossing the no What is the trait you deplore most in understand because it has implications potentials using CamCASP: Theory and anotherpharmacology story. and molecular materials. overtaking double lines. I was driving chemists? Now, I’m joining NMRWhat Service has beenGmbH your (Erfurt, biggest Germany; nmr-service.de),for the way a molecules behave. If you application to many-body models for behind a lorry for a long time and I got a People taking credit for theircompany students’ that offersdisappointment? customer specific solutions for NMR spectroscopydon’t understand using how water molecules the pyridine dimer. Journal of Chemical Right:What inspires you? chance to overtake but I just clipped the work. 12.0mm probeheads, spectrometers,That the grandchildrencomplete setups, are asall wellboys. as But equipment stick fortogether in situ you can’t describe water. If Theory and Computation, 2016. DOI: An electrochemicalI just have a continuing cell (battery) curiosity inside and line. I thought it was quite unfair actually. 12.0mm NMR and automationyou in can’t solid-state say that? NMR spectroscopy. I’ve beenyou made can’t the describe Vice how drug molecules 10.1021/acs.jctc.5b01241 the coildesire of an to in understand. situ NMR probehead.

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School in Madrid, my mother is German, and Do you think being PeopleNews although I became fluent in German, mathematics was very poorly taught at the school. So, I chose

chemistry rather than physics, which of course is a woman in the Paper Height 630.0mm 19.0mm

19.0mm 12.0mm applied12.0mm 12.0mm mathematics. department12.0mm has helped 12.0mm 12.0mm 12.0mm 12.0mm After finishing my degree, specialising in organic chemistry, I started to work in the quality control or hindered your Dr Andrew Wheatley, who headed the department’s application Mr Finlay heard Professor Chris Dobson, CMD co-director department in the pharmaceutical industry in said: “We could have bid for an array of items adding up to £2 Madrid. I knew from the beginning that this was career?talk about the research centre at a University event. He was million but we urgently needed the microscope. We also had a mistake as I was not financially driven. I was moved to make the gift because his wife, Una Finlay, suffered No, I honestly think that gender was not even a support from other departments, including Materials, Chemical curious about science. I moved from Spain to from Alzheimer’s and died of the disease in 2016. He said, consideration in my suitability for the jobs I’ve Engineering, Biochemistry, the Sainsbury Laboratory and Germany and on to England in that industry, “It is my hope that the new Chemistry of Health Building had or even in the day-to-day work with my Architecture.” learning chromatography, a new technique to will enable breakthroughs to be made in our understanding colleagues. However, I had one experience of me, on the way. I took a risk and left a permanent of neurodegenerative diseases, bringing us closer to gender discrimination. My English husband had job to do six months’ research in the chemistry The new instrument will help prevent research bottlenecks. a computing jobthe in development Nuremberg, weof new were treatments. living My gift to support department at City University in London. But, Andrew said: “People often find they can’t get rapid access to there, so naturallyCambridge’s I applied forpioneering a position work at the in this area is in memory of my luckily for me, the research job was extended machines like the one we’re going to buy. And that’s a problem. University of Erlangendear late – wife,I thought Una.” I could do my and I obtained my PhD. I must confess that I did Our current TEM is approaching 20-years-old and wasn’t PhD there. I was told by a very old fashioned not know what to do on completion of my PhD, designed for the materials portfolio that the department has male professor Professorthat women Dobson should said: be “We at home are enormously grateful for this so I went back to the pharmaceutical industry now. There are high-end microscopes available in the University, cleaning the house.generous I took benefaction that comment from to Derek, mean and honoured that our but this time to a research and development the poor professor had lost his mind! which are good for the very detailed analysis of samples but facility, hoping it would be similar to working laboratories within the building will be named after his late they’re in great demand, so only a small number of really good in academia. Unfortunately this was not the wife Una. Disorders such as Alzheimer’s and Parkinson’s In my opinion, success depends on the attitude, samples are looked at in this way.” case but I progressed. I became leader of a disease are becoming frighteningly common in the modern determination and research skills of the individual. chromatography group with SmithKline Beecham world. The Chemistry of Health building will enable us to make I think the lack of balance between male and On the new TEM, researchers will be able to take a quick look and later an analytical manager in PowderJect a giant step forward in translating recent breakthroughs made

Ana female group leaders in the department has to do at a lot of samples to determine which are the best options Technologies, a start-up company. in Cambridge into future treatments to combat these rapidly 1.34mm 13.01mm 0.672mm 0.336mm John &0.672mm Shankar New New Mass Spectrometerwith the fact that, for whatever reason, women for further study. This are more reluctantproliferating to apply andfor key truly academic devastating conditions.” Finally, I spotted a research job, here, advertised will allow people to On the subject of new equipment, a year ago the departmentpositions even though their skill sets are the Year Honours in New Scientist. And now I am very happy and Belenguer streamline their research. purchased a new mass spectrometer, VION, manufacturedsame as the maleThe applicants. new building I think will unlessalso house the the Chemistry of Health settled working in this research environment. Professors Shankar Balasubramanian (above) and John Andrew added: “We also by Waters. The equipment has now been commissionedacademic and systemIncubator can persuade and the females Molecular to apply Production and Characterisation 210.0 x 297.0mm 210.0 x 297.0mm PyleWomen were named in the Chemistry Queen’s New Year Honours210.0 List, in x 297.0mmhope it will be available is fully operational. Dijana Matak-Vinkovic (above),210.0 seniorfor these x 297.0mmpositionsCentre the (MPACC). gender imbalance in the 210.0 x 297.0mm 210.0 x 297.0mm recognition of their contributions to society. Shankar has been to people outside the technician responsible for Mass Spectrometry said: “Thisdepartment new will not be resolved. andWhat’s unique instrument the ismost excellent for measuring accurate givenDr Ana a knighthood Belenguer for services is a postdoctoral to science and medicine.research associateUniversity, who hasin industry been as working with Prof Jeremy Nidus Laboratories Limited has agreed to invest £1 million 13.01mm well as other educational 2.02mmmasses of various compounds and peptides. It’s also able to annually in the Incubator and MPACC. The Incubator1.01mm will JohnSanders has been on appointedvarious CBE,projects for services funded to atmospheric by EPSRC grants since 2002. She has been pioneering in the rewarding thing about chemistry and environmental science. establishments. ”The routinely measure collision cross sections of analysed ions,What wouldnurture spin-out you companies say from inception through early field of solid state dynamic covalent chemistry (DCC)microscope by ball is expectedmill grinding. Since 2014 she has whichyour gives life information in chemistry? about the size of the molecule.” growth by providing flexible space for adapting basic research been based in the Hunter Group. Ana discusses her tolife be in commissioned chemistry by with Carmen Pryce. Researchers interested in learning how to use the machineto canpostdocs into practical starting applications. MPACC will provide researchers mid 2018 and will be nowI like accessresearch training and I enjoy by contacting working inDijana. a research across the department with a wide array of highly specialised New electron located at Lensfield Road environment where students, postdocs and out on ainstrumentation career andin will the link directly to the department’s research leaders are motivated by science. where its runningdepartment will at the University of Manchester. We existing NMR spectroscopy, mass spectrometry, x-ray I specially enjoy working with Prof Jeremy department? microscopeTell to me about your job,be overseen byare in-house a very enthusiastic team sharing our interest diffraction and microanalytic services. PhilanthropicSanders because he is motivated to discoversupport microscopist,in Dr. understanding Heather the fundamentals of this new I think Postdocs and PhD students need to the fundamentals of the research topic we are what do you do? Greer (right). consider how best to progress their careers. In streamline research field of science. I’m combining my preference for working on. My research discussions with Jeremy organic synthesis with my expertise in analytical buoys CMD research the past, there was very little advice and people I am an expert in high performance normally revolve around his scheme on the The department has secured a grant of £1.9 million from the were totally confused. For example, most people liquid chromatography (HPLC) and liquid Professor Sir Johnchemistry. Meurig Thomas, who first brought electron Philanthropicdifferent progressive donations stages and seedof research: funding will underpin the EPSRC to purchase a new transmission electron microscope didn’t realise that there is a time limit on applying chromatography mass spectrometry (LCMS)microscopes to the department in 1978, said: “I’m delighted next stage of the Chemistry of Health building (CoH), due to (TEM). to hear that a new microscope is on its way. It is now an for fellowships after you’ve completed your PhD. and a good deal of my time is taken up helping open“Data in spring --> Information 2018. --> Postdocs are contract workers without links to indispensableHow feature of didany chemistry you department. get into One colleagues and students with separation colleges, unless they studied in Cambridge as The EPSRC scheme, for the support of multi-user equipment, cannot study nanoscience without it (see page 23). The power Knowledge --> Wisdom” problems. But the rest of the time, I am working Mr R. Derek Finlay has donated £5 million to fund the completionundergraduate or postgraduate. In the past, there offered up to £2 million for oninstrumentation the synthesis ofthat organic appeals reactions in theof electronsolid microscopychemistry? is essential, especially in the study of ofWe the obtain department’s data, which new when Chemistry processed of Health building, becomes andwas to no infrastructure to advise postdocs where to to a wide range of users. A TEMstate was using chosen ball mill because grinding. it will This is a very new catalysts.” Sir John went on to say: “I’m also thrilled that Heather supportinformation; new leadingresearch to into knowledge neurodegenerative and, if we’re diseases inapply the and what to do to progress their academic be useful not only in the Departmentarea of science, of Chemistry which is but poorly also understood. We My father was a chemist specialising in physical is going to be in charge of the TEM; not least because she was Centrelucky moves for Misfolding on to wisdom. Diseases I feel (CMD), very which strongly will be housedcareer. in So, particularly for women, if they want to to groups from a lot of differenthave adepartments multidisciplinary with project,varying led by Jeremy, chemistry. He built an industry in Spain supervised in her PhD by my former PhD student Wuzong Zhou, thethat new nothing building. is beyond The CMD’s a good primary explanation. focus is toI understandhave the a family, they must be aware and develop a and collaborating with Giulio Lampronti, a manufacturing laboratory equipment. His circle of research interests, and the department’s existing transmission now Prof of Chemistry at St Andrews. So in a sense, Heather is enjoy expanding my mind and feel privileged, and strategy for moving ahead with their careers. friends were all either professors in chemistry at molecular origins of diseases associated with the misfolding and electron microscope is approachingcrystallographer the end from of its the life. Department of myEarth academic granddaughter.” spoiled in the department; I have the opportunity Sciences at the University and Aurora Cruz Cabeza, the University of Madrid or academics in research aggregation of proteins, including Parkinson’s, Alzheimer’s, type II 12.0mm to attend so many talks about the latest discoveries facilities in Madrid. My father expected me to diabetes and amyotrophic lateral sclerosis (ALS), all of which have an expert in crystal lattice calculations from in a variety of fields, not necessarily my own. R. Derek Finlay at St John’s College the Chemical Engineering & Analytical Science follow a scientific career. I attended the German huge personal and social costs. © chrisloades.webs.com

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scientific giants as explicitly mentioned by the closing speaker, Dr. Jürgen Kluge, Chair of the Lindau Nobel Laureate Meetings Visualising the genome FoundationHydrogen Board. bond debate settled? Researchers from fields across mathematics, sociology, health Lee & Klenerman Groups sciences,Professor chemistry, physics, Anthony geology, and computerStone science provided a rich diversity of experience and knowledge from Scientists in the Lee and Klenerman groups together with colleagues from the Department whichIn 1981 to learn Professor in discussions. Stone Outside worked the plannedout a simple, conference, efficient method for calculating the electrostatic of Biochemistry, the Wellcome-MRC Stem Cell Institute, and the MRC Laboratory of Molecular thepotential GYSS programme around allowed a molecule. lots of free The time. discovery “Singapore opened is up a new area of research in intermolecular Biology, have determined the first 3D structures of intact mammalian genomes from individual incrediblyforces and easy led to get to aroundfurther and research there’s so muchcalculating to see, an the other components of intermolecular interactions. ideal environment for a bunch of young people to explore cells, showing how the DNA from all the chromosomes intricately folds to fit together inside Over the years, a debate grew up around the nature of hydrogen bonds. Anthony has continued to together and begin to form new relationships,” says Mike. individual cell nuclei. take the view that hydrogen bonds are more electrostatic than covalent. In his latest publication, he Theargues conference that theprogramme debate included is now a settled.series of field trips designed to showcase Singapore’s commitment to research esearchers used a combination and development as well as its impressivehe debateindustrial centres and around whether (SAPT) combined with density functional theory of imaging and up to 100,000 hydrogen bonds are more covalentenergy density,(DFT). which Using means hydrogen the batteries bonding last between longer. Andtwo academic facilities. These included A*STAR, a government- measurements of where different parts than electrostatic. One view isthen there’s ahydrogen desire to fluorideput batteries molecules in increasingly as an example, smaller Jane Clarke becomes Andrew Holmes funded business incubator space, CREATE, a research campus of the DNA are close to each other that a hydrogen bond is mainlyspaces. an So inevitablyhe argues there that are NBO risks falls associated foul of ‘basis with set this drive st and innovation hub that hosts many research centres (such as to examine the genome in a mouse electrostatic attraction betweenfor increasedsuperposition performance error’.– in the end there is no getting 1 female president of awarded Companion of the Cambridge Centre for Advanced Research and Education), embryonicR stem cell. Stem cells are ‘master cells’, chargeT distributions on hydrogen and another,away from the fact that you’ve got highly oxidised and highly and the Tuaspring desalination plant, among others. which can develop – or ‘differentiate’ – into almost electronegative, atom. The other is that hydrogenreduced materials in very close proximity.” Wolfson Collegeany type of cell within the body. the Order of Australia bonding involves transfer of electrons, and The GYSS model of laying ontherefore high-impact charge, shows, between brilliant atoms, which gives Following the report Samsung introduced an 8-point battery Lucy Cavendish Honorary Fellow,David KlenermanProfessor Jane said: Clarke “We used FRS the super-Andrew (above) was the Director of the Melville Laboratory minds, time and space, is undoubtedlyit covalent character. a great way “That to recruitissue has never really 210.0 x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mmsafety check to catch the problems they identified. However, 210.0 x 297.0mm 210.0 x 297.0mm (above) is the sixth Presidentresolution of Wolfson optical College microscopes and the to help findand the brought it into the department from the New Museums foreign talent. It’s no surprisebeen then resolved, that the partlyplan is because to hold ofthe the results from Clare made the point that battery safety is the responsibility first female president of theposition college. of She key startsmarkers her in tenure the nucleus. This sitegave in the 2003. His academic career in the department extended GYSS annually and that this naturalsuccessful bond conference orbital (NBO) model theory, is which appear of and a challenge for the industry as a whole and not just 2.35mm 4.7mm 15.7mm1.01mmin October 2017. Jane succeedsbioinformaticians Professor Sir aRichard ‘guided Evans map’ of how to efficientlyover 30 years; he led an incredibly productive group2.69mm2.02mm in being used around the worldto tosupport attract the young argument scientists that. it’s essentially 1.34mm 13.01mm Samsung. FBA. Her appointment bringsassemble the number these of fragments female College into a coherent structure.”organic and polymer synthesis. He was involved in setting up chemical bonding,” Anthony explains. Presidents at the University of Cambridge up to 11 out of 31. Cambridge Display Technology, with Richard Friend in Physics Hydrogen fluoride dimer 3D genome from individual mouse stem cell Using their new approach, the researchers haveand at one point was one of the most highly cited chemists in He continues: “I’ve been concerned about this for determined the structures of active chromosomes Credit: University of Cambridge/MRC Laboratory of some time. But it was only recently that I worked Jane is Professor of Molecular Biophysics and Senior Wellcome the world. He overlapped with many of our currentMolecular academics Medicine Clare Grey advises inside the cell, and how they interact with each out just what the problem was and it has some According to Anthony, the problem arises from Trust Research Fellow in the Department of Chemistry. She including Steve Ley and worked closely with Ian Paterson. A other to form an intact genome. This is important importance because it helps to demolish the idea the way that the natural bond orbitals that began her career in science as a teacher in a comprehensive close spatial proximity. Understanding how this Samsung because knowledge of the way DNA folds insidefellow the of Clare College he returned to Australia in 2004 on a that hydrogen bonding is chemical bonding. It’s give the method its name are constructed. organisation of DNA in the nucleus varies from school. Later she moved, withcell her allows family, scientists to the to USA study where how specific prestigiousgenes, Federation Fellowship. Currently he is President now clear that all but the very strongest hydrogen The method distorts the orbitals in a way that cell-to-cell will be an essential tool in our further In January 2017, after a number of Galaxy Note7 smartphones she took a master’s degree thatand thekick-started DNA regions her newthat controlcareer inthem, interactof the with Australian Academy of Science. The Companion of the bonds are primarily electrostatic.” makes them less able to describe the individual understanding of epigenetics.” over-heated and burst into flames bringing production to a research. each other. Order of Australia is the highest civilian honour granted to molecules properly, giving them incorrectly high only a handful of people every year. halt, leading to a product recallThere and is experimentala plane ban, Samsung and theoretical evidence energies. Starting from this high-energy reference, The researchers have illustrated the structure in We celebrated Professor Clarke’sThe genome’s appointment structure as Honorary controls when and how announced the results of itsthat investigation hydrogen intobonding the cause. involves some charge- the NBO calculation of charge-transfer energies accompanying videos, which show the intact Fellow at Lucy Cavendish Collegestrongly in genes March – 2016, particular when regions she of the DNA – are transfer – that is incipient chemical bonding - but combines the individual basis sets of orbitals, and genome from one particular mouse embryonic switched ‘on’ or ‘off’. This plays a critical role in the Prof Clare Grey (above right)there together is still with debate other over external how much. NBO suggests the combined basis set gives a good description gave a lecture as part of the Cambridge Science Festival. She stem cell. spoke about her work in biophysicaldevelopment and ofstructural organisms studies and also, when GYSSit goes 2017 advisers, academic and researchit dominates, experts helpedwhile Anthony Samsung and get others had of the dimer energy. But the improvement in awry, in disease. to the bottom of the problem.noticed that other calculation methods found a energy, which the NBO method describes as of protein folding. She also discussed the obstacles she The research was funded by the Wellcome Trust, the It’s all about the young researchers reports Grey Group member, much smaller role for charge transfer. The reasons charge-transfer, includes compensation for the encountered and why she is passionate about ensuring girls European Union and the Medical Research Council. Steven Lee said: “Single cell Hi-C represents Dra Michael Gaultois, one of five Cambridge researchers selected to Errors both in design and manufacturingfor these differences were identified. were unclear. In erroneously high energies of the monomers and young women have every opportunity to pursue a career new way of determining the three-dimensionalattend the Global Young Scientists Summit (GYSS). some cases the battery was crammed into a corner causing as well as any true charge-transfer energy, and in science. READ MORE: organisation of the genome. Rather than looking www.cam.ac.uk/research/news/visualising-the- electro deflection, while in Inothers a recently there publishedwas not enough paper, Anthony compared exaggerates the charge-transfer effect by an order along the length of a long ‘strand’ of DNA, thisThe Singapore Nationalgenome-researchers-create-first-3d-structures-of- Research Foundation GYSS is based insulation between the batteryNBO components and symmetry-adapted leading to an perturbation theory of magnitude. President of Lucy Cavendish College, Jackie Ashley said: “We technique looks at which areas of the DNA onare thein Lindau Nobel Laureateactive-dna Meetings model - put a few internal short circuit. are thrilled to hear news of this well-deserved appointment, hundred engaged young minds together with great older and I look forward to working closely with Professor Clarke in minds and great things happen. But a deliberate emphasis is Clare said: “There are two things going on; one is there is the future.” Reference: Reference: Samsung’s new 8-point battery safety checklist Stevens, TJ et al: 3D structures of individual mammalianplaced genomes on studied the young by single-cell scientists, Hi-C. Nature; rather 13 thanMarch on 2017; the DOI: established 10.1038/ a demand from the electronicsA Stone: industry “Natural to Bond have Orbitals higher and the Nature of the Hydrogen Bond”. Journal of Physical Chemistry A, 2017. DOI: 10.1021/acs. nature21429 jpca.6b12930

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Light makes biomass produce Reflections on electron Research

clean hydrogen microscopy Paper Height 630.0mm 19.0mm

19.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm Reisner12.0mm 12.0mm Group Sir John12.0mm Meurig Thomas were necessary and actually well overdue (the UK people were denied a popular vote at the time of the significant Maastricht Big Data harnessed to tackle and Lisbon treaty changes). The referendum was not lightly given, but grudgingly forced from the Westminster politicians, mostly by the democratically applied pressure of UKIP (which, antibiotic resistance you may recall, was the largest polling party in the UK 2014

Bender Group European election). I would argue that the Conservative election manifesto promise of an “in-out” referendum was the main reason the Conservative government was returned to Dr Daniel Mason (above right), a former postdoc in the Bender Group, has developed a machine power esearcherswith a majority in the in Reisner the 2015 Group general have developed election. Ia note way that In 2016 Professor Sir John Meurig Thomas was awarded learning approach that enables the prediction of more effective antibiotic combination the referendumof using solar bill powerreceived to generatewidespread a fuel support that is bothin Parliament a Royal Medal by the Royal Society for his pioneering treatments, potentially speeding up the search for new ways to fight antibiotic resistant bugs. inR 2015sustainable (544 votes and in favour relatively and cheap 53 against). to produce. work in catalytic chemistry, in particular on single-site heterogeneous catalysts, which has had a major impact on IThe think technology no one can uses confidently natural light toknow generate if the hydrogenvote to leave from the EU green chemistry, clean technology and sustainability. He is willbiomass. be positive Group leaderor negative Dr Erwin for Reisner the UK says: or for “Our the sunlight EU. The future one of the best-known electron microscopists in the field. ispowered inherently technology uncertain is exciting and there as it are enables upside the and production downside Correspondencehe overuse of antibiotics in livestock, of 153 pairs of antibiotics screened against E. of clean hydrogen from unprocessed biomass under ambient In January 2017, Sir John’s overview of what has been risks associated with both leaving and remaining outcomes. unnecessary prescription in humans coli, the method is able to classify synergistic conditions.” As I see it, the facts of the matter are that a referendum was achieved through electron microscopy in heterogeneous and the fact that no new antibiotic combinations largely correctly when testing held following sustained, democratically applied pressure and catalysis appeared in the Royal Society Proceedings A. The classes have been discovered in the on an unseen dataset. This is very significant in The main component of plant biomass is lignocellulose and up

abstract of that paper is reproduced here.

past 40 years mean our arsenal of practical terms as pairwise screening a library 52%to now of itsthe conversion votes were into cast hydrogen to leave has the only EU. been This achievedis the valid

4.03mm 15.7mm 3.36mm 1.68mm 2.02mm treatmentsT is gradually succumbing to multi-drug of just 50 compounds would result in over resultthrough of aa gasification fair, democratic process, process. which Ituses should high betemperatures accepted andto lectron microscopy (EM) is arguably the single most resistant organisms. Dear Editor1,200 combinations. “The rate of prediction implemented.decompose it fully. Write to us powerful method of characterizing heterogeneous corresponds to a 2.8-fold increase in the discovery catalysts. Irrespective of whether they are bulk We are always delighted toDaniel, receive who your developed the computer-designedI normally readof synergisticmost of your combinations magazine and over I am that usually expected InDr theMoritz future Kuehnel, kindly a postdoceither avoid in the political Reisner commentGroup and orjoint provide lead E and multiphasic, or monophasic and monocrystalline, or system during his time at the Centre for Molecularinformed andby satisfied a brute-force by its screeningcontent. effort,”But one saysitem inDaniel. the balance.author on a new research paper published in Nature Energy, emails and letters. nanocluster and even single-atom and on a support, their 210.0 x 297.0mm 210.0 x 297.0mm Informatics, says: “Being210.0 able to predict x 297.0mm which The research has resulted in a list of 4,950 says: “Lignocellulose is nature’s equivalent to armoured210.0 concrete. x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mm Winter 2016 issue concerned me and I wish to comment. structures in atomic detail can be visualized in two or three compounds are likely to produce a synergistic combinations of 100 compounds of which 691 It consists of strong, highly crystalline cellulose fibres that are Email your comments to: [email protected] Yours sincerely dimensions, thanks to high resolution instruments, with sub- antimicrobial effect when combined together are now the starting point for designing future interwoven with lignin and hemicellulose, which act as a glue. This Post your letters to: Chem@Cam, Rm142, The high level point is that you provided two pages of space Ångstrom spatial resolutions. Their topography, tomography, 1.34mm has the potential to greatly reduce time and antibiotic combination treatments. 2.69mmrigid structure has evolved to give plants and trees mechanical 15.7mm 4.7mm 2.35mm to the pro-remain views of Julian Huppert with no counter- Dr Tim Fowler (1977–1983) phase-purity, composition, as well as the bonding and Department of Chemistry, Lensfieldresources Road,spent on experimental screening for stability and protect them from degradation, and makes chemical Correction balancing position. On the next page the department then valence-states of their constituent atoms and ions and, in Cambridge CB2 1EW new treatments.” The computer-designed approach was developed utilisation of lignocellulose so challenging.” appeals for direct funding. We also received a similarly Brexit focused letter from Malcolm favourable circumstances, the short-range and long-range in collaboration with the research group of Dr In our research article, ‘4-stranded DNA helix points to atomic order and dynamics of the catalytically active sites, The work published in the Journal of Medicinal Murat Cokol at Sabanci University in Turkey and SteblesThe new (Downing technology 1966–1972), relies on a whosimple made photocatalytic the point that, conversion “there possible new cancer treatments’ (page 21, Chem@Cam: can all be retrieved by the panoply of variants of modern Chemistry shows that once trained using Asa dataset you know, Harvard 52% of Universitythe population in the supported United States. Brexit, so you isprocess. no reason Catalytic to believe nanoparticles that the underlyingare added to funding alkaline and water research in issue 54, December 2016), we referred to guanine as an EM. The latter embrace electron crystallography, rotation have potentially alienated half of your possible donors by collaborationwhich the biomass should is suspended.not continue This more is then or less placed the same in front as of it isa amino acid. Guanine is one of the four main nucleobases and precession electron diffraction, X-ray emission and high- this editorial choice. I voted to leave for what I considered to now,light inexcept the lab, that which it would mimics be by solar different light. The mechanisms.” solution is ideal for resolutionfound in electronthe nucleic energy-loss acids DNA spectra and RNA. (EELS). Thank you to John Figure: Using the be sound reasons. These concerned the lack of democratic absorbing this light and converting the biomass into gaseous Anderson (1956-1962) for spotting the error. fingerprint features of accountability, the fiscal irresponsibility and the inappropriate Nowhydrogen, that article which 50can has then been be triggeredcollected wefrom shall the continue headspace. to watchThe Aberration-corrected (AC) transmission (TEM) and scanning antibiotics (displayed hydrogen is free of fuel-cell inhibitors, such as carbon monoxide, overall direction of the EU. I know there will be winners and developments here at Chem@Cam. - Editor transmission electron microscopy (STEM) have led to a as different colours which allows it to be used for power. and shapes), in this losers that result from the leave decision. I understand that revolution in structure determination. Environmental EM is case chloramphenicol, academics (and probably farmers) are the two groups that already playing an increasing role in catalyst characterization, READ MORE: 5-fluorouracil and nalidixic are likely to be most affected, but these are not the dominant Dear Editor, and new advances, involving special cells for the study of acid, the machine learning www.cam.ac.uk/research/news/scientists-harness-solar-power- interest groups in the country. In the many discussions I have to-produce-clean-hydrogen-from-biomass solid catalysts in contact with liquid reactants, have recently approach is able to model had on this issue, the only truly valid reason I have identified I really enjoyed reading the latest edition of the magazine, been deployed. and predict synergistic combinations of new for voting to remain in the EU is if the voter believes that winter 2016. antibiotics. the UK should be part of a federal Europe (full political and monetary union, which is the logical endpoint of “ever closer Adding the chapter on recent research by the department union”). I don’t think this is the right direction for the UK or for gives this publication a lot more weight and gives an accurate the majority of European States. reflection about the real work going on in the department.

I understand this is an emotive issue and different people will LookingReference: forward to reading more soon! Reference: 12.0mm References: draw different conclusions even from the same evidence base. David Wakerley et al: Solar-driven reforming of lignocellulose to H2 with Thomas JM: Reflections on the value of electron microscopy in the study of Daniel J Mason et.al., Prediction of antibiotic interactions using descriptors derived from compound molecular structure, J. Med. Chem., a CdS/CdOx photocatalyst. Nature Energy 13 March 2017 DOI: 10.1038/ heterogeneous catalysts. Proc. R. Soc. 2017 A 473 DOI: 10.1098/rspa.2016.0714 April 6 2017 DOI: 10.1021/acs.jmedchem.7b00204. I respect that. My view is that the debate and the referendum Christiannenergy.2017.21 Fink (PhD, 2008)

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them children, visited the department and took part in numerous workshops

19.0mm 19.0mm 19.0mm and demonstrations. 19.0mm

isitors to the department took the solid electrolytes are syntheticopportunity garnets, to don Nawhite Super coats – includingIf we can achieveA an day all-solid-state of discovery battery for visitors Ionic CONductor (NASICON) and related phases, that contains nonflammable components and a 3-year-old in a lab coat down to his ankles, glass-ceramics and argyrodite. In most of these prevents dendriteand formation, host battery markets Battery safety open mouthed in the battery fruit zone – in systems, dopant atoms - trace impurity elements - could open up and move into new territory in wonderment or hunger? It was hard to tell. are crucial for stabilising the conducting structure terms of devicesMike and Gaultois, chemistries. a postdoc In fact, in the there Grey are Group, put Chemistry and/or improving conductivity. Our group is using many big industry players looking into this field. V together a number of demos including magnetism, Deputy Heads Nick Bampos and James Keeler were All Solid State solid-state NMR, density functional theory (DFT), Electrification ofhydrophobic transportation, and hydrophilic longer lasting materials, and one handing out safety glasses and directing traffic. and other structural methods to understand the mobile devices, showingand increased how batteries electrochemical work. Here he reflects on the Meanwhile, Professor Jonathan Nitschke, whose group Grey Group diffusion mechanisms and dopant chemistry in grid storage wouldChemistry all benefit Open Day.from the advent Open Day 2017 this area. of the new safer battery technology. The race is researches complex matter through molecular self- assembly, gamely bounced through a vat of cornflowerhotting up – Germany is pushing for a move away Naturally, the kids were most excited, darting When safetyslime. is He such lingered a major slightly constraint, too long it isand more sank up fromto his diesel and towards electric vehicles by 2030 quickly between experiments dragging parents challengingcalves for in industry goo, before to put aptly higher demonstrating energy how toand get plans are afoot to locate new gigafactories around because they want to try the next thing. cathodeout or anode of quicksand materials – very, into very, the very,battery. slooooowly. in Europe. Here in the UK, similar big plans are High energy density lithium anodes and >5 V predicted. high-voltage cathodes have been around for One young girl was connecting lemon batteries There was goo absolutely everywhere. Goo being years but they cannot be used with organic liquid in series. When she realised that if one lemon gave shaped into rubber balls, goo floating around in newly When it comes to battery performance, higher energy density, which means longer lasting electrolytes. 1 volt, two gave 2 volts, and three lemons gave 3 created lava lamps. Goo in the Cybercafé. Guanglu Wu batteries, has always been the main emphasis. However, recent events at Samsung have pushed volts, then ten lemons should give 10 volts, she and Magda Olesinkska showed people how to make

battery safety in phones to the top of the list of requirements. PhD student Kent Griffith (above began jumping around with unbounded joy.

supramolecular structures with brightly coloured goo. 1.68mm 3.36mm 15.7mm 1.68mm 3.36mm 4.03mm 2.02mm 15.7mm 4.03mm right) considers the current situation and introduces the idea of a solid-state alternative to today’s Thea Precht, Rose Ng, Beth Connolly and Maureen 2.02mm Everyone expects children to get excited on Georges demonstrated edible cold goo, using liquid most successful rechargeable batteries. these days, but it was a surprise, to me, to see the nitrogen to make ice-cream. parents and adults becoming as intrigued as their here can be different initiating factors A solid electrolyte, as part of an all-solid-state children. They often lingered and continued to ask There was also an oasis of quietness in the Todd- 210.0 x 297.0mm 210.0 x 297.0mm but catastrophic210.0 battery x failure 297.0mm that battery, could allow the transport of lithium 210.0 x 297.0mmquestions, while their kids pestered, “Come on, I 210.0 x 297.0mm 210.0 x 297.0mm Hamied room. People sat for hours in the modelling results in an explosion or fire is due ions while physically blocking dendrite growth. want to make slime!” to combustion of the organic liquid In addition to preventing the main cause of zone diligently piecing together molecular structures of electrolyte inside the cell. Overheating overheating, a solid electrolyte also avoids the Menthol, Adenine, Jasmone, Caffeine, DEET, Camphor, I was particularly fortunate to share an experience inT the cell is obviously the main cause, it may consequences of a short-circuit or other heat Indigo dye – it was beautiful. of discovery with one parent, who confided in be external, but is often due to an internal short generating events because there is nothing to me that until our discussion, and despite having a circuit. The most widely used batteries in phones burn. The solid electrolyte material is typically an One mother said, “I’ve been coming to this event for 16 degree, they never really understood why putting are Lithium-ion. In these cells, lithium can deposit oxide, sulfide, or phosphate, which means a fully years. I brought all four of my girls and it’s so exciting metal prongs in a lemon produced a voltage. into branch-like structures known as dendrites, inorganic battery that could have an operating and inspiring for them. In fact, one of my girls is now which can grow all the way from the negative to temperature ranging over several hundred studying theoretical chemistry - sadly at Oxford but the positive electrode. This short-circuit provides degrees Celsius. This would mean you would not The day is a great way to get young, and older, hey! Another parent added: “We think this event is so a direct pathway for rapid discharge and heat have to worry so much about leaving your phone minds excited about science, and to share in the good we bring a group from Camberwell in Southwark, generation, which cause the electrolyte to break exposed to the full power of the mid-day sun or joy of scientific discovery. When we’re in the lab one of the poorest boroughs of London, and they’re down, generates gas and, if the pressure/heat cooling down car battery packs. every day, it’s easy to forget how cool our work is, so bowled over by it. One little boy came last year and continue to increase, can catch fire or explode. how lucky we are to be practising scientists and he’s already saying he wants to study at Cambridge.” The issue is that, ultimately, we want batteries that how fortunate we are, as postdocs, to be paid for There are different approaches to improving the readily interface with the electrodes and have A third adult remarked: “Sometimes the explanations our endeavours. Open Day is a beautiful way to safety of current commercial battery technology, good ionic conductivity; liquid electrolytes do are brilliant, sometimes not but I’ve always found the rekindle our own love of science, and it’s rewarding including using sensors and thermally responsive this very efficiently. Unfortunately, at the moment children are questioning and curious and the students to share that. I think it’s our responsibility to bring polymers that seek to shut down current flow solid electrolyte materials generally have relatively engage with the them at the right level.” once a certain temperature threshold is detected. low ionic conductivity, react with air, and do not our science to the public, because by providing this service everyone in our community can reap However, this approach is still susceptible to form a good interface with the electrodes. Over 100 staff members, postdocs, PhDs and manufacturing defects or cell puncture. For this the rewards. undergraduate volunteers helped to make the day go reason, the ultimate goal for battery safety would Now, usually ions diffuse faster in liquid than very smoothly. Huge ‘Thanks’ to everyone who took be to get rid of the flammable liquid electrolyte they do in solids, but surprisingly, some families altogether and replace it with a nonflammable of solid structures have been discovered that part. We would also like to thank the Walters Kundert solid electrolyte. This is all-solid-state battery allow lithium ions (Li+) and sodium ions (Na+) Charitable Trust for its continued transformational

12.0mm technology, one of the research areas the Grey to diffuse or conduct as fast as in conventional support. 12.0mm Group is currently working on. liquid electrolytes. Some of the most promising

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Burning Issues Paper Height 630.0mm 19.0mm 19.0mm 12.0mm Salters’12.0mm 12.0mm Festival12.0mm of 12.0mm 12.0mm 12.0mm 12.0mm Fire and Flame Chemistry 2017

Once again, the Salters’ Festival of Chemistry took place in the Department of Chemistry. Children from years 7 and 8 experienced hands-on practical chemistry in the teaching lab. Teams of four, from 20 schools in and around the East of England, competed in two fun challenges, one set by Salters’, the other set by the department. The first, Salters’ Challenge, “Who is the Prime Suspect?”, required analytical chemistry skills to discover who murdered a fictional member of the company. The second, University Challenge, asked the teams to separate food dyes using a chromatography column. Prizes were awarded for both challenges. “One of my favourite demos is burning a jet of oxygen in The figures show measurements of pollution levels as functions Salters’ Challenge Winners University Challengeof wind Winners direction and wind speed, from sensor nodes close to the an atmosphere of hydrogen, southern runway at Heathrow airport. • 1st Prize Richard Hale School, Hertford • 1st Prize St. Faith’s School, Cambridge

it’s a bit risky but it all adds • 2nd Prize Bedford Prep School, Bedford • 2nd Prize CulfordTop figures:PreparatoryShow School, nitrogen dioxide (NO2) and carbon dioxide

(CO ) when the wind blows from the east and southeast. We can

• 3rd Prize Sandye Place Academy, Sandy Bury St Edmunds2

to the fun.” Pete Wothers tell from the ratios that the easterly plume is aircraft taxiing while 4.03mm 15.7mm 3.36mm 1.68mm 2.02mm • 3rd Prize St. Francisthe south College, easterly Letchworth plume is aircraft taking off, when the engines Garden City are hotter and produce more nitrogen dioxide.

Bottom figure: Levels for the entire sensor network. Here you can see high levels of NO coming from just north of east. This is Heathrow and air pollution 2 210.0 x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mm After the prize giving ceremony the participants210.0 enjoyed Pete x Wothers’ 297.0mm Openthe DayLondon demonstration plume contributing lecture, to pollution at Heathrow airport. 210.0 x 297.0mm 210.0 x 297.0mm Jones Group ‘Burning Issues’. 1.34mm 2.69mm 15.7mm 4.7mm 2.35mm

Arguments about the environmental impact of expanding Heathrow, the UK’s largest airport, have pollution (including NO2) is not related to the airport, but “Even with a third runway there would be a net fall in NO2 been raging since the government supported the expansion back in 2009. There may be many is coming from elsewhere, mainly, in this case, from central pollution levels. So overall you’re below the health impact reasons for not wanting a third runway at Heathrow, but according to independent research done London. threshold.”

by Rod Jones and his group, nitrogen dioxide (NO2) is probably not one of them. “We also have CO2 measurements on each sensor node which Supporters of expansion have seized on this fact with the allow us to determine ‘emission indices’, for example how much headline grabbing suggestion that, together with mitigating

rofessor Rod Jones set the scene: “Up until now, the NO2 is produced per unit of fuel burnt. We then put all these developments in technology, Heathrow airport could build a emissions from Heathrow were estimated on the basis results into a computer model, run by David Carruthers at new runway without breaking European pollution laws. of what is effectively a spreadsheet evaluation of how Cambridge Environmental Research Consultants (CERC), which many aircraft, how many airside vehicles and how much we then use to create maps of air pollution in and around However, Rod says when it comes to the question of

roadside traffic are associated with the airport. the airport. We can then use the model to predict NO2 levels Heathrow’s expansion he is completely ‘agnostic’. “But I do think P outside the airport with different third runway configurations that if you’re going to use evidence to make policy decisions, “We’ve got lots of different “There was also a single monitoring site, which measures air quality and we find that non-airport emissions tend to dominate. base it on good science rather than opinion.” ways of fingerprinting air but the data from it, on its own, cannot be used to tell whether those pollution, and what we’re fluctuations are coming from the airport or if it’s wafting in from Rod says: “If you allow a third runway, the airport component The research was funded by the Natural Environment Research doing is separating what an somewhere completely unrelated. What we’ve done is place a network of pollution will go up, no question. But, taking some indicative Council (NERC). The senors were installed at the airport by the of 40 air quality sensor nodes across the whole of the Heathrow site, numbers, if we imagine the pollution at a point is 100%, only department with the help of Heathrow. individual sensor does and made measurements, and looked for the common patterns.” around 10% is coming from the airport activities; leaving what the whole network of around 90% from elsewhere. Currently researchers from the Jones Group are in Beijing sensors does, allowing us to The sensor network is able to distinguish between pollutants drifting studying the links between air quality and human health. in from the surrounding area and what is emitted from the airport, “With a third runway, the airport contribution would rise, 12.0mm unequivocally identify the something that is not possible with just one sensor. Rod clarifies: perhaps to 15%, but at the same time, with anticipated READ MORE: sources of pollution.” “When we look at the results we find that a significant part of the improvements in the traffic fleet, the 90% will drop significantly. www.cam.ac.uk/research/impact/better-sensors-cleaner-air

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New Look: augmented chemistry Ley Group

Postdoc researchers in the Ley Group, inspired by Hollywood movies and gaming, have developed a new web-based molecular viewer, and used it to enhance their most recent publication. The viewer 3D augmented trans-3-(4’-methoxyphenyl)- combines three technologies in one: Star Wars-like holographic display, Pokémon Go augmented 1,4-diphenylazetidin-2-one molecule (trans- reality and motion sensing cameras as seen in Minority Report with Tom Cruise. The result is a 2D beta-lactam for short!) overlay as seen on the marker that looks like a very simple QR code. But anyone using a smartphone to look at it will be screen of an android phone treated to a 3D version of a trans-3-(4’-methoxyphenyl)-1,4-diphenylazetidin-2-one molecule.

he web-based molecular viewer intermediates and the corresponding Gibbs on the bench that were used 100 or 150 have over 4 million markers (the exact number accesses an augmented reality energies. The log files from computational years ago. Mikhail Kabeshov (above right), the is 4194304 for 5x5 markers). People will be able (AR) library,210.0 displays the x images 297.0mm research are automatically processed in this computational scientist behind the viewing210.0 to drag x and297.0mm drop their own structures into the 210.0 x 297.0mm 210.0 x 297.0mm as holograms and allows the user viewer. All of this information can be easily software, says: “Synthetic organic chemists were webpage, design their own markers and show to manipulate the 3D image. This referenced in the publication using one URL or not taking advantage of emerging technology. whatever they want, including videos.” 2.35mm Tapplication is expected to become not only QR code.“ 4.7mm With this system researchers will be able to 15.7mm 2.69mm 1.34mm a powerful research tool but also a useful quickly digitally compare reaction conditions that Augmented reality techniques are impacting nd educational resource. Gina Musio (above 2 left), lead author on the first have been published elsewhere. For example, widely in many other areas of science. Steve Ley augmented chemical research communication in the past you wouldn’t think about comparing and his group believe that these methods have a Eric Śliwiński (above 2nd right), who worked on published with the new 2D marker, says: “This activation energies from ten procedures. But if role to play in visualising chemistry and that the molecular visualisation data technology helps the you have easy access to an application that can combined use of modern machinery will help representation for the viewer, synthetic chemists to interpret produce and display them and the process takes transform the practice of molecule synthesis. explains: “This system uses more easily the computational five minutes, why not? You would quickly see that computer vision exactly in data. I find it exciting to read out of five procedures, four are not efficient.” Try it for yourself. This QR code will take you to the same manner as the an augmented scientific paper instructions for using the 3D viewer. Use the recognition of quick read with the ability to visualise, The beauty of the system is that it uses open image on the back cover to experience the full (QR) codes but with fewer on-the-fly, the molecules source technology, it works natively on the web, dots. Using my phone I can described and the parameters running JavaScript in a web browser, which is the effect. Alternatively, for instructions go to: superimpose a model on a associated with them; dihedral same tech for all computing devices, from mobile http://github.com/es605/HTMoLAR sheet of paper. I can then angles and bond distances – phones to a massive work station, and it’s free. The toggle the animation to by just scanning a 2D marker only exception is Apple; it doesn’t work on iOS, at display the molecules and a and without installing any the moment, because Apple policy does not allow cheap motion sensing camera licensed software!” Gina the free “getUseMedia()” application programme (Leap Motion™) allows me continues: “The point is, a interface (API) to run natively on its devices. to move it around with my solid bridge has been built hands.” between the computational chemists and However, the team continues to develop the synthetic chemists, who routinely collaborate and viewer. Eric says: “So far we have 1024 different Reference: “You can see the computed reaction pathway for can now easily communicate.” markers within the augmented reality library. B Musio, F Mariani, EP Śliwiński, MA Kabeshov, H Odajima, SV Ley: Combination of Enabling Technologies to Improve a transformation and within this representation But the recent release of the JavaScript version and Describe the Stereoselectivity of Wolff-Staudinger Cascade you can see not only the 3D structures of the In the past, synthetic chemists have been very of ArToolKit 5 in open source, a state-of-the- Reaction. Synthesis (Germany) (2016) 48, 3515. DOI: 10.1055/s- molecule but also the associated reaction conservative, doing the same experiments art augmented reality library, could allow us to 0035-1562579

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The figures show measurements of pollution levels as functions of wind direction and wind speed, from sensor nodes close to the southern runway at Heathrow airport.

Top figures:Show nitrogen dioxide (NO2) and carbon dioxide

(CO2) when the wind blows from the east and southeast. We can

tell from the ratios that the easterly plume is aircraft taxiing while 4.03mm 15.7mm 3.36mm 1.68mm 2.02mm the south easterly plume is aircraft taking off, when the engines are hotter and produce more nitrogen dioxide.

Bottom figure: Levels for the entire sensor network. Here you can see high levels of NO coming from just north of east. This is Heathrow and air pollution 2 210.0 x 297.0mm 210.0 x 297.0mm Jones Group 210.0 x 297.0mm 210.0 x 297.0mmthe London plume contributing to pollution at Heathrow airport. 210.0 x 297.0mm 210.0 x 297.0mm 1.34mm 2.69mm 15.7mm 4.7mm 2.35mm

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solid electrolytes are synthetic garnets, Na Super If we can achieve an all-solid-state battery Ionic CONductor (NASICON) and related phases, that contains nonflammable components and Battery safety glass-ceramics and argyrodite. In most of these prevents dendrite formation, battery markets systems, dopant atoms - trace impurity elements - could open up and move into new territory in are crucial for stabilising the conducting structure terms of devices and chemistries. In fact, there are and/or improving conductivity. Our group is using many big industry players looking into this field. All Solid State solid-state NMR, density functional theory (DFT), Electrification of transportation, longer lasting and other structural methods to understand the mobile devices, and increased electrochemical Grey Group diffusion mechanisms and dopant chemistry in grid storage would all benefit from the advent this area. of the new safer battery technology. The race is hotting up – Germany is pushing for a move away When safety is such a major constraint, it is more from diesel and towards electric vehicles by 2030 challenging for industry to put higher energy and plans are afoot to locate new gigafactories cathode or anode materials into the battery. in Europe. Here in the UK, similar big plans are High energy density lithium anodes and >5 V predicted. high-voltage cathodes have been around for years but they cannot be used with organic liquid When it comes to battery performance, higher energy density, which means longer lasting electrolytes. batteries, has always been the main emphasis. However, recent events at Samsung have pushed

battery safety in phones to the top of the list of requirements. PhD student Kent Griffith (above

1.68mm 3.36mm 15.7mm 1.68mm 3.36mm 4.03mm 15.7mm 4.03mm 2.02mm right) considers the current situation and introduces the idea of a solid-state alternative to today’s 2.02mm most successful rechargeable batteries.

here can be different initiating factors A solid electrolyte, as part of an all-solid-state 210.0 x 297.0mm 210.0 x 297.0mm but catastrophic210.0 battery x failure 297.0mm that battery, could allow the transport of lithium 210.0 x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mm results in an explosion or fire is due ions while physically blocking dendrite growth. to combustion of the organic liquid In addition to preventing the main cause of electrolyte inside the cell. Overheating overheating, a solid electrolyte also avoids the inT the cell is obviously the main cause, it may consequences of a short-circuit or other heat be external, but is often due to an internal short generating events because there is nothing to circuit. The most widely used batteries in phones burn. The solid electrolyte material is typically an are Lithium-ion. In these cells, lithium can deposit oxide, sulfide, or phosphate, which means a fully into branch-like structures known as dendrites, inorganic battery that could have an operating which can grow all the way from the negative to temperature ranging over several hundred the positive electrode. This short-circuit provides degrees Celsius. This would mean you would not a direct pathway for rapid discharge and heat have to worry so much about leaving your phone generation, which cause the electrolyte to break exposed to the full power of the mid-day sun or down, generates gas and, if the pressure/heat cooling down car battery packs. continue to increase, can catch fire or explode. The issue is that, ultimately, we want batteries that There are different approaches to improving the readily interface with the electrodes and have safety of current commercial battery technology, good ionic conductivity; liquid electrolytes do including using sensors and thermally responsive this very efficiently. Unfortunately, at the moment polymers that seek to shut down current flow solid electrolyte materials generally have relatively once a certain temperature threshold is detected. low ionic conductivity, react with air, and do not However, this approach is still susceptible to form a good interface with the electrodes. manufacturing defects or cell puncture. For this reason, the ultimate goal for battery safety would Now, usually ions diffuse faster in liquid than be to get rid of the flammable liquid electrolyte they do in solids, but surprisingly, some families altogether and replace it with a nonflammable of solid structures have been discovered that solid electrolyte. This is all-solid-state battery allow lithium ions (Li+) and sodium ions (Na+)

12.0mm technology, one of the research areas the Grey to diffuse or conduct as fast as in conventional 12.0mm Group is currently working on. liquid electrolytes. Some of the most promising

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Light makes biomass produce Reflections on electron Research

clean hydrogen microscopy Paper Height 630.0mm 19.0mm

19.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm Reisner12.0mm 12.0mm Group Sir John12.0mm Meurig Thomas Big Data harnessed to tackle antibiotic resistance

Bender Group

Dr Daniel Mason (above right), a former postdoc in the Bender Group, has developed a machine esearchers in the Reisner Group have developed a way In 2016 Professor Sir John Meurig Thomas was awarded learning approach that enables the prediction of more effective antibiotic combination of using solar power to generate a fuel that is both a Royal Medal by the Royal Society for his pioneering treatments, potentially speeding up the search for new ways to fight antibiotic resistant bugs. R sustainable and relatively cheap to produce. work in catalytic chemistry, in particular on single-site heterogeneous catalysts, which has had a major impact on The technology uses natural light to generate hydrogen from biomass. Group leader Dr Erwin Reisner says: “Our sunlight green chemistry, clean technology and sustainability. He is powered technology is exciting as it enables the production one of the best-known electron microscopists in the field. he overuse of antibiotics in livestock, of 153 pairs of antibiotics screened against E. of clean hydrogen from unprocessed biomass under ambient In January 2017, Sir John’s overview of what has been unnecessary prescription in humans coli, the method is able to classify synergistic conditions.” achieved through electron microscopy in heterogeneous and the fact that no new antibiotic combinations largely correctly when testing catalysis appeared in the Royal Society Proceedings A. The classes have been discovered in the on an unseen dataset. This is very significant in The main component of plant biomass is lignocellulose and up

abstract of that paper is reproduced here.

past 40 years mean our arsenal of practical terms as pairwise screening a library to now its conversion into hydrogen has only been achieved

4.03mm 15.7mm 3.36mm 1.68mm 2.02mm treatmentsT is gradually succumbing to multi-drug of just 50 compounds would result in over through a gasification process, which uses high temperatures to lectron microscopy (EM) is arguably the single most resistant organisms. 1,200 combinations. “The rate of prediction decompose it fully. powerful method of characterizing heterogeneous corresponds to a 2.8-fold increase in the discovery catalysts. Irrespective of whether they are bulk Daniel, who developed the computer-designed of synergistic combinations over that expected Dr Moritz Kuehnel, a postdoc in the Reisner Group and joint lead E and multiphasic, or monophasic and monocrystalline, or system during his time at the Centre for Molecular by a brute-force screening effort,” says Daniel. author on a new research paper published in Nature Energy, nanocluster and even single-atom and on a support, their 210.0 x 297.0mm 210.0 x 297.0mm Informatics, says: “Being210.0 able to predict x 297.0mm which The research has resulted in a list of 4,950 says: “Lignocellulose is nature’s equivalent to armoured210.0 concrete. x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mm structures in atomic detail can be visualized in two or three compounds are likely to produce a synergistic combinations of 100 compounds of which 691 It consists of strong, highly crystalline cellulose fibres that are dimensions, thanks to high resolution instruments, with sub- antimicrobial effect when combined together are now the starting point for designing future interwoven with lignin and hemicellulose, which act as a glue. This Ångstrom spatial resolutions. Their topography, tomography, 1.34mm has the potential to greatly reduce time and antibiotic combination treatments. 2.69mmrigid structure has evolved to give plants and trees mechanical 15.7mm 4.7mm 2.35mm phase-purity, composition, as well as the bonding and resources spent on experimental screening for stability and protect them from degradation, and makes chemical valence-states of their constituent atoms and ions and, in new treatments.” The computer-designed approach was developed utilisation of lignocellulose so challenging.” favourable circumstances, the short-range and long-range in collaboration with the research group of Dr atomic order and dynamics of the catalytically active sites, The work published in the Journal of Medicinal Murat Cokol at Sabanci University in Turkey and The new technology relies on a simple photocatalytic conversion can all be retrieved by the panoply of variants of modern Chemistry shows that once trained using a dataset Harvard University in the United States. process. Catalytic nanoparticles are added to alkaline water in EM. The latter embrace electron crystallography, rotation which the biomass is suspended. This is then placed in front of a and precession electron diffraction, X-ray emission and high- light in the lab, which mimics solar light. The solution is ideal for resolution electron energy-loss spectra (EELS). Figure: Using the absorbing this light and converting the biomass into gaseous fingerprint features of hydrogen, which can then be collected from the headspace. The Aberration-corrected (AC) transmission (TEM) and scanning antibiotics (displayed hydrogen is free of fuel-cell inhibitors, such as carbon monoxide, transmission electron microscopy (STEM) have led to a as different colours which allows it to be used for power. and shapes), in this revolution in structure determination. Environmental EM is case chloramphenicol, already playing an increasing role in catalyst characterization, READ MORE: 5-fluorouracil and nalidixic and new advances, involving special cells for the study of acid, the machine learning www.cam.ac.uk/research/news/scientists-harness-solar-power- to-produce-clean-hydrogen-from-biomass solid catalysts in contact with liquid reactants, have recently approach is able to model been deployed. and predict synergistic combinations of new antibiotics.

Reference: Reference: 12.0mm References: David Wakerley et al: Solar-driven reforming of lignocellulose to H2 with Thomas JM: Reflections on the value of electron microscopy in the study of Daniel J Mason et.al., Prediction of antibiotic interactions using descriptors derived from compound molecular structure, J. Med. Chem., a CdS/CdOx photocatalyst. Nature Energy 13 March 2017 DOI: 10.1038/ heterogeneous catalysts. Proc. R. Soc. 2017 A 473 DOI: 10.1098/rspa.2016.0714 April 6 2017 DOI: 10.1021/acs.jmedchem.7b00204. nenergy.2017.21

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Visualising the genome Hydrogen bond debate settled? Lee & Klenerman Groups Professor Anthony Stone

Scientists in the Lee and Klenerman groups together with colleagues from the Department In 1981 Professor Stone worked out a simple, efficient method for calculating the electrostatic of Biochemistry, the Wellcome-MRC Stem Cell Institute, and the MRC Laboratory of Molecular potential around a molecule. The discovery opened up a new area of research in intermolecular Biology, have determined the first 3D structures of intact mammalian genomes from individual forces and led to further research calculating the other components of intermolecular interactions. cells, showing how the DNA from all the chromosomes intricately folds to fit together inside Over the years, a debate grew up around the nature of hydrogen bonds. Anthony has continued to individual cell nuclei. take the view that hydrogen bonds are more electrostatic than covalent. In his latest publication, he argues that the debate is now settled.

esearchers used a combination he debate centres around whether (SAPT) combined with density functional theory of imaging and up to 100,000 hydrogen bonds are more covalent (DFT). Using hydrogen bonding between two measurements of where different parts than electrostatic. One view is hydrogen fluoride molecules as an example, of the DNA are close to each other that a hydrogen bond is mainly an he argues that NBO falls foul of ‘basis set to examine the genome in a mouse electrostatic attraction between superposition error’. embryonicR stem cell. Stem cells are ‘master cells’, chargeT distributions on hydrogen and another, which can develop – or ‘differentiate’ – into almost electronegative, atom. The other is that hydrogen any type of cell within the body. bonding involves transfer of electrons, and therefore charge, between atoms, which gives 210.0 x 297.0mm 210.0 x 297.0mm David Klenerman said:210.0 “We used the x super- 297.0mm it covalent character.210.0 “That issue x has 297.0mm never really 210.0 x 297.0mm 210.0 x 297.0mm resolution optical microscopes to help find the been resolved, partly because of the results from position of key markers in the nucleus. This gave the natural bond orbital (NBO) theory, which appear 2.35mm 4.7mm 15.7mm1.01mm bioinformaticians a ‘guided map’ of how to efficiently 2.69mm2.02mm to support the argument that it’s essentially 1.34mm 13.01mm assemble these fragments into a coherent structure.” chemical bonding,” Anthony explains. Hydrogen fluoride dimer Using their new approach, the researchers have 3D genome from individual mouse stem cell He continues: “I’ve been concerned about this for determined the structures of active chromosomes Credit: University of Cambridge/MRC Laboratory of some time. But it was only recently that I worked Molecular Medicine inside the cell, and how they interact with each out just what the problem was and it has some According to Anthony, the problem arises from other to form an intact genome. This is important importance because it helps to demolish the idea the way that the natural bond orbitals that close spatial proximity. Understanding how this because knowledge of the way DNA folds inside the that hydrogen bonding is chemical bonding. It’s give the method its name are constructed. organisation of DNA in the nucleus varies from cell allows scientists to study how specific genes, now clear that all but the very strongest hydrogen The method distorts the orbitals in a way that cell-to-cell will be an essential tool in our further and the DNA regions that control them, interact with bonds are primarily electrostatic.” makes them less able to describe the individual understanding of epigenetics.” each other. molecules properly, giving them incorrectly high There is experimental and theoretical evidence energies. Starting from this high-energy reference, The researchers have illustrated the structure in The genome’s structure controls when and how that hydrogen bonding involves some charge- the NBO calculation of charge-transfer energies accompanying videos, which show the intact strongly genes – particular regions of the DNA – are transfer – that is incipient chemical bonding - but combines the individual basis sets of orbitals, and genome from one particular mouse embryonic switched ‘on’ or ‘off’. This plays a critical role in the there is still debate over how much. NBO suggests the combined basis set gives a good description stem cell. development of organisms and also, when it goes it dominates, while Anthony and others had of the dimer energy. But the improvement in awry, in disease. noticed that other calculation methods found a energy, which the NBO method describes as The research was funded by the Wellcome Trust, the much smaller role for charge transfer. The reasons charge-transfer, includes compensation for the European Union and the Medical Research Council. Steven Lee said: “Single cell Hi-C represents a for these differences were unclear. erroneously high energies of the monomers new way of determining the three-dimensional as well as any true charge-transfer energy, and READ MORE: organisation of the genome. Rather than looking www.cam.ac.uk/research/news/visualising-the- In a recently published paper, Anthony compared exaggerates the charge-transfer effect by an order along the length of a long ‘strand’ of DNA, this genome-researchers-create-first-3d-structures-of- NBO and symmetry-adapted perturbation theory of magnitude. technique looks at which areas of the DNA are in active-dna

Reference: Reference: Stevens, TJ et al: 3D structures of individual mammalian genomes studied by single-cell Hi-C. Nature; 13 March 2017; DOI: 10.1038/ A Stone: “Natural Bond Orbitals and the Nature of the Hydrogen Bond”. Journal of Physical Chemistry A, 2017. DOI: 10.1021/acs. nature21429 jpca.6b12930

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School in Madrid, my mother is German, and Do you think being People although I became fluent in German, mathematics was very poorly taught at the school. So, I chose

chemistry rather than physics, which of course is a woman in the Paper Height 630.0mm 19.0mm

19.0mm 12.0mm applied12.0mm 12.0mm mathematics. department12.0mm has helped 12.0mm 12.0mm 12.0mm 12.0mm After finishing my degree, specialising in organic chemistry, I started to work in the quality control or hindered your department in the pharmaceutical industry in Madrid. I knew from the beginning that this was career? a mistake as I was not financially driven. I was No, I honestly think that gender was not even a curious about science. I moved from Spain to consideration in my suitability for the jobs I’ve Germany and on to England in that industry,

had or even in the day-to-day work with my learning chromatography, a new technique to colleagues. However, I had one experience of me, on the way. I took a risk and left a permanent gender discrimination. My English husband had job to do six months’ research in the chemistry a computing job in Nuremberg, we were living department at City University in London. But, there, so naturally I applied for a position at the luckily for me, the research job was extended University of Erlangen – I thought I could do my and I obtained my PhD. I must confess that I did PhD there. I was told by a very old fashioned not know what to do on completion of my PhD, male professor that women should be at home so I went back to the pharmaceutical industry cleaning the house. I took that comment to mean but this time to a research and development the poor professor had lost his mind! facility, hoping it would be similar to working in academia. Unfortunately this was not the In my opinion, success depends on the attitude, case but I progressed. I became leader of a determination and research skills of the individual. chromatography group with SmithKline Beecham I think the lack of balance between male and and later an analytical manager in PowderJect

Ana female group leaders in the department has to do Technologies, a start-up company. 1.34mm 13.01mm 0.672mm 0.336mm 0.672mm with the fact that, for whatever reason, women are more reluctant to apply for key academic Finally, I spotted a research job, here, advertised positions even though their skill sets are the in New Scientist. And now I am very happy and Belenguer same as the male applicants. I think unless the settled working in this research environment. academic system can persuade females to apply 210.0 x 297.0mm 210.0 x 297.0mm Women in Chemistry 210.0 x 297.0mm 210.0for these x 297.0mmpositions the gender imbalance in the 210.0 x 297.0mm 210.0 x 297.0mm What’s the most department will not be resolved. 13.01mm Dr Ana Belenguer is a postdoctoral research associate who has been working with Prof Jeremy 2.02mm 1.01mm Sanders on various projects funded by EPSRC grants since 2002. She has been pioneering in the rewarding thing about What would you say field of solid state dynamic covalent chemistry (DCC) by ball mill grinding. Since 2014 she has your life in chemistry? been based in the Hunter Group. Ana discusses her life in chemistry with Carmen Pryce. to postdocs starting I like research and I enjoy working in a research environment where students, postdocs and out on a career in the research leaders are motivated by science. department at the University of Manchester. We I specially enjoy working with Prof Jeremy department? Tell me about your job, are a very enthusiastic team sharing our interest Sanders because he is motivated to discover in understanding the fundamentals of this new I think Postdocs and PhD students need to the fundamentals of the research topic we are what do you do? consider how best to progress their careers. In field of science. I’m combining my preference for working on. My research discussions with Jeremy organic synthesis with my expertise in analytical the past, there was very little advice and people I am an expert in high performance normally revolve around his scheme on the were totally confused. For example, most people chemistry. different progressive stages of research: liquid chromatography (HPLC) and liquid didn’t realise that there is a time limit on applying chromatography mass spectrometry (LCMS) for fellowships after you’ve completed your PhD. and a good deal of my time is taken up helping How did you get into “Data --> Information --> Postdocs are contract workers without links to colleagues and students with separation Knowledge --> Wisdom” colleges, unless they studied in Cambridge as problems. But the rest of the time, I am working undergraduate or postgraduate. In the past, there on the synthesis of organic reactions in the solid chemistry? We obtain data, which when processed becomes was no infrastructure to advise postdocs where to state using ball mill grinding. This is a very new information; leading to knowledge and, if we’re apply and what to do to progress their academic area of science, which is poorly understood. We My father was a chemist specialising in physical lucky moves on to wisdom. I feel very strongly career. So, particularly for women, if they want to have a multidisciplinary project, led by Jeremy, chemistry. He built an industry in Spain that nothing is beyond a good explanation. I have a family, they must be aware and develop a and collaborating with Giulio Lampronti, a manufacturing laboratory equipment. His circle of enjoy expanding my mind and feel privileged, and strategy for moving ahead with their careers. friends were all either professors in chemistry at crystallographer from the Department of Earth spoiled in the department; I have the opportunity Sciences at the University and Aurora Cruz Cabeza, the University of Madrid or academics in research 12.0mm to attend so many talks about the latest discoveries facilities in Madrid. My father expected me to an expert in crystal lattice calculations from in a variety of fields, not necessarily my own. the Chemical Engineering & Analytical Science follow a scientific career. I attended the German

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People

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“We realised others would want and could benefit from a working As I see it… relationship that bridges the gap between research and industry.” Oliver Pecher

Dr Oliver Pecher specialises in the application of solid-state nuclear magnetic resonance (NMR) spectroscopy. He’s particularly interested in the design of new in situ NMR techniques to study battery materials. Until very recently, February 2017, he was a postdoctoral research associate and Marie Skłodowska-Curie Fellow in the Materials Chemistry group of Professor Clare Grey. Now, based back home in Germany, he uses his expertise to help others prepare and develop their research experiments using NMR. Oliver talks us through what he did in the department and what he plans to do in the near future.

am a solid-state chemist and joined the Grey Group to study the properties and President of the company and I’ll work as an application scientist and account

0.336mm 0.672mm 13.01mm 0.336mm 1.34mm 0.672mm 13.01mm 1.34mm 0.672mm performances of battery materials for lithium and sodium-ion technologies. I specialise manager. I will help customers to define their, often very complex, problems 0.672mm in a technique called NMR spectroscopy, which is comparable to magnetic or challenges. I will work with researchers and industry to find the right resonance imaging (MRI) body scanners in hospitals, where strong magnetic experiments and then design and develop those experiments. It’s fields are involved. basically a new position within the company that came about I after we worked together on various projects for the Grey 210.0 x 297.0mm 210.0 x 297.0mm This method produces210.0 information x about 297.0mm what the sample material is made of Group.210.0 We realised x others 297.0mm would want and could benefit from 210.0 x 297.0mm 210.0 x 297.0mm and what keeps it together. My particular interest is real-time investigations a working relationship that bridges the gap between research of the batteries. I try to understand why something is happening while and industry. the device is working rather than after the process has ended. Applying in situ NMR on batteries doesn’t come without its challenges and hardware I always thought I would go down the pure research path. I modifications are required – and that’s where I come in. I focus on the absolutely enjoyed my time in the Grey Group, working with design and development of new hardware and equipment to make these so many great postdoc colleagues and students on different experiments actually happen. approaches to problems – theoretical, experimental – the synergy of combining complementary information to learn Until relatively recently, it wasn’t possible to do in situ NMR investigations something new about the materials. I thought I would go back with high efficiency. Putting a ‘real’ battery (we actually use model to Germany, join a lab, apply for a huge grant, hopefully get it systems that are as close to reality as possible) into one of the NMR and go on to become a professor. I thought, if I join a machines and looking at how it functions while it’s operating requires company I would lose this great network – lose new methods. What we’ve developed is a specially designed in situ NMR the connection to this amazing research probehead. It’s basically a very expensive radio that can automatically world and I didn’t want that. But moving tune to different frequencies, be recalibrated if needed, and is also to work in Germany now means I get highly shielded to prevent interferences between the circuits of the to see something of industry but I battery (the electrochemistry) and one of the NMR measurements. also stay very close to research – and I get to see my wife – so it’s This new tool allows us to put a sample – a battery – into the magnetic beneficial for all sides. field, capture and measure what’s going on. We also built a robot attachment for the probeheads, which automates some of the processes, And I still have a connection to and allows us to set-up, run, and monitor long experiments without the the Grey Group through GREY need for manual checking. MATTER Enterprises – but that’s another story. Now, I’m joining NMR Service GmbH (Erfurt, Germany; nmr-service.de), a company that offers customer specific solutions for NMR spectroscopy using Right: 12.0mm probeheads, spectrometers, complete setups, as well as equipment for in situ An electrochemical cell (battery) inside 12.0mm NMR and automation in solid-state NMR spectroscopy. I’ve been made the Vice the coil of an in situ NMR probehead.

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How you can contribute

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19.0mm 19.0mm Noticeboard 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm 12.0mm Bang Huynh, PhD Recognitions Cambridge International Appointments and awards Oded Rimon, PhD and promotions Cambridge International Be a part of the future with a gift in your Will

Eric Zhao, PhD A gift in your Will is a wonderful way to help the department flourish far into the future, and for you to be Cambridge International able to make a significant and lasting contribution. Such a gift can open up a world of opportunity for future students, researchers and academics, helping to provide the environment and tools they need to continue to Benjamin Williams, PhD achieve great things. Professor Clare Grey Vice-Chancellor’s Award Professor Jane Clarke Elected Foreign member of the Elected the 6th President of Wolfson American Academy of Arts & Science Jessica Day, PhD College. She takes up the post in For further information about the impact of a legacy, and guidance on how to leave a gift to the Department Vice-Chancellor’s Award October 2017 of Chemistry in your Will, please contact Head of Department Professor John Pyle at Royal Society of Chemistry Prizes [email protected] & Awards Abigail Hanby, PhD Interdisciplinary Lectureships, Vice-Chancellor’s Award autumn 2017

Alasdair Keith, PhD Dr Hugo Bronstein, Vice-Chancellor’s Award Functional Materials, joint with Physics

Antanas Radzevicius, PhD Dr Robert Jack,

Professor Melinda Duer Soft Matter, joint with Applied Maths 1.34mm 13.01mm 0.672mm 0.336mm 0.672mm Vice-Chancellor’s Award Interdisciplinary Prize Daniel Sharpe, PhD Dr Anja Schmidt, Professor Stephen Elliott Vice-Chancellor’s Award Climate Modelling, joint with John B Goodenough Award Geography 210.0 x 297.0mm 210.0 x 297.0mm Professor Tuomas Knowles 210.0Julian Vigil, MPhil x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mm 210.0 x 297.0mm Churchill Scholar (further details in future issues of Corday-Morgan Prize Chem@Cam). Dr Steve Lee Anthony Tabet, MPhil 13.01mm 2.02mm 1.01mm Marlow Award Churchill Scholar Upcoming Scholarships awarded for 2017 entry Rosie Bell, MPhil Newton College Masters events Peter Bolgar, PhD Professor Jean-Marie Lehn Lecture Herchel Smith 22 June 2017 Tegan Stockdale, PhD Sutton Trust Summer School Herchel Smith 14 – 18 August 2017 Akhila Denduluri, PhD Karen Stroobants and Protein Folding, Evolution and Gates Cambridge George Trenins PhD students selected to represent Interaction Symposium 03 – 05 September 2017 Sandile Mtetwa, MPhil the department at the Lindau Nobel Gates Cambridge Laureate Meetings 2017 Call My Bluff wine tasting 22 September (further details to be Grant Simpson, MPhil announced) Gates Cambridge Chemistry Showcase Week Jessica Waters, PhD 25 – 29 September 2017 Walters Kundert Department of Chemistry Alumni David Izuogu, PhD

Medal presentation 12.0mm Cambridge Africa Scholarship 19 October 2017

Graduate Admissions Open Day The campaign for the University 20 October 2017 and Colleges of Cambridge

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If you then click on the augmented reality button and accept the camera request, you may then scan the 2D marker (bottom image) to see the 3D augmented structure overlay on your device screen. 12.0mm

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