Author Archive

Celebrating the 100th Anniversary of Chemistry at Nankai University

The Department of Chemistry at Nankai University was initiated in 1921 by Professor Zongyue Qiu, just 2 years after the founding of Nankai University. Over the years the department has evolved, most recently in the founding of the College of Chemistry in 1995, which then became an entity in 2000. The College of Chemistry of Nankai University has become a leading national base for research and education in chemistry. Chemical Science and the Royal Society of Chemistry are delighted to help celebrate the 100th anniversary of chemical sciences in Nankai University with a themed collection.

This themed collection features articles published in Chemical Science by authors at Nankai University, and speakers at our joint symposium “Celebrating the 100th Anniversary of Chemistry at Nankai University  with New Frontiers in Chemistry: A Chemical Science Symposium”. The symposium is dedicated to the latest research that crosses new frontiers and boundaries within the chemical sciences and introduces new concepts, and will feature 8 leading researchers in multidisciplinary fields as the invited speakers, alongside 16 flash talks from outstanding young researchers, chaired by Chemical Science Associate Editors Professor Jinlong Gong and Professor Ning Jiao.

We hope you enjoy reading this collection and look forward to seeing you at the symposium on the 29th September.

 

Chemical Science

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Chemical Science Reviewer Spotlight – September 2021

September 20-24 marks Peer Review Week 2021, a week that celebrates the vital role that peer review plays in upholding scientific standards globally. This year, the theme is “Identity in Peer Review”.

Chemical Science wishes to mark this week with our latest Reviewer Spotlights, a new way to highlight the hard work of our reviewers for our community over the past year and encourage further diversity in our reviewer community.

This month, we’ll be highlighting Andrew Weller, Stéphanie Bastin, Marcetta Darensbourg and Satoshi Maeda. We asked our reviewers a few questions about what they enjoy about reviewing, and their thoughts on how to provide a useful review.

Andrew Weller, University of York, UK. Research in the Weller group is based upon synthetic organometallic chemistry and catalysis, and in particular the generation and stabilisation of transition metal complexes that have C–H, B–H and C–C bonding modes with metal centres (via agostic or sigma interactions). We are interested in the fundamentals of synthesis, bonding, structure and reactivity of these complexes, but we also have a strong focus on their use and development in challenging catalytic bond transformations, such as C–H, B–H and C–C activation.
Stéphanie Bastin, LCC-CNRS, Université de Toulouse Stéphanie Bastin, LCC-CNRS, Université de Toulouse, France. My research work focuses on the design and development of transition metal complexes and their application in homogeneous catalysis.
Marcetta Darensbourg, Texas A&M University, USA. The challenge of developing, and understanding, molecular catalysts containing earth abundant metals that perform similarly to the rare and expensive platinum, palladium, rhodium metals is the heart of my research.  Our synthesis program is guided by Nature’s design of enzyme active sites trapped in giant proteins that facilitate organometallic-like reactions.
Satoshi Maeda, Hokkaido University Satoshi Maeda, Hokkaido University, Japan. My study focuses on the development of automated reaction path search methods toward the discovery of unknown reaction channels based on quantum chemical calculations.

 

What encouraged you to review for Chemical Science?

Andrew Weller: I am a great believer in learned society published journals – both in terms of quality, history but also accountability to, and support of, the chemical community. As with many top-tier journals the role of the academic associate editor in the reviewing process, who handles the manuscript, provides me with confidence that the process is overseen by someone who publishes (and reviews) regularly themselves. I think this is vital.

Satoshi Maeda: I consider it as one of my contributions to the community. I try to find and point out parts that readers may possibly have doubt due to insufficient data or ambiguous description. I believe this could be a help to improve the papers.

Marcetta Darensbourg: It is an attractive journal, which speaks to the professionalism of the editorial/production staff, and it has a good editorial board.  One can expect submissions to be sent to the appropriate, knowledgeable reviewers whose comments will be respected.

What do you enjoy most about reviewing?

Marcetta Darensbourg: Learning! The invitation to see up to the minute research (or reviews) from others either directly in your field or near it is a privilege.

Stéphanie Bastin: I appreciate the feeling that I am contributing to the development of a field of research other than by publishing my own results.

What makes a paper truly stands out for you when reviewing a paper?

Stéphanie Bastin: In my opinion, in addition to the quality of the results, an article stands out for its clear and careful presentation of the results which must be put into context by a well-constructed introduction of the research topic. In other words, on first reading one should be able to discern the major advances the article brings to the field of research in question.

What advice would you give a first-time author looking to maximise their chances of successful peer review?

Satoshi Maeda: It is of course important that the data and discussion adequately support the conclusions. In the case of Chemical Science, one needs to prepare a manuscript so that its impact can be conveyed even to readers who are not specialists of the authors’ field. For that, it could be a nice idea to include diagrams by which the entire concept can be understood immediately.

Andrew Weller: When you revise your manuscript look at it through the lens of a reviewer. Does it tell as story, are the diagrams clear and in the appropriate place, is it appropriately concise? Also remember that referees are not infallible – once accepted your work will be read (hopefully) by many people (and presented at group meetings). So a clear message, that has a narrative arc, and avoids unnecessary detours into results that simply do not fit the story, will be well received both by referees and then the scientific community when it is published. Less is more sometimes (I must remember that advice myself!)

 

Tune in next month to meet our next group of #ChemSciReviewers!

Keep up to date on Peer Review Week 2021 on Twitter by following #PeerReviewWeek21 and #IdentityInPeerReview.

If you want to learn more about how we support our reviewers, check out our Reviewer Hub.

Interested in joining our ever-growing reviewer community? Send us your CV and a completed Reviewer Application Form to becomeareviewer@rsc.org.

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Chemical Science HOT Articles: August 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for August 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

Browse a selection of our August HOT articles below:

Nickel-catalyzed reductive coupling of unactivated alkyl bromides and aliphatic aldehydes
Cole L. Cruz and John Montgomery
Chem. Sci., 2021, Advance Article

Single-crystal-to-single-crystal synthesis of a pseudostarch via topochemical azide–alkyne cycloaddition polymerization
Arthi Ravi, Amina Shijad and Kana M. Sureshan
Chem. Sci., 2021, Advance Article

Catalytic enantioselective synthesis of 1,4-dihydropyridines via the addition of C(1)-ammonium enolates to pyridinium salts
Calum McLaughlin, Jacqueline Bitai, Lydia J. Barber, Alexandra M. Z. Slawin and Andrew D. Smith
Chem. Sci., 2021, Advance Article

Albumin-targeting of an oxaliplatin-releasing platinum(iv) prodrug results in pronounced anticancer activity due to endocytotic drug uptake in vivo
Hemma Schueffl, Sarah Theiner, Gerrit Hermann, Josef Mayr, Philipp Fronik, Diana Groza, Sushilla van Schonhooven, Luis Galvez, Nadine S. Sommerfeld, Arno Schintlmeister, Siegfried Reipert, Michael Wagner, Robert M. Mader, Gunda Koellensperger, Bernhard K. Keppler, Walter Berger, Christian R. Kowol, Anton Legin and Petra Heffeter
Chem. Sci., 2021, Advance Article

Two-step anti-cooperative self-assembly process into defined π-stacked dye oligomers: insights into aggregation-induced enhanced emission
Yvonne Vonhausen, Andreas Lohr, Matthias Stolte and Frank Würthner
Chem. Sci., 2021, Advance Article

β-Trioxopyrrocorphins: pyrrocorphins of graded aromaticity
Nivedita Chaudhri, Matthew J. Guberman-Pfeffer, Ruoshi Li, Matthias Zeller and Christian Brückner
Chem. Sci., 2021, Advance Article

 

Chemical Science, Royal Society of Chemistry

Submit to Chemical Science today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest articles, reviews, collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

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Introducing our Chemical Science Reviewer Spotlight!

At Chemical Science, we recognize the many and varied contributions our reviewer community make to the high quality of the research published in the journal. To further thank and recognise the support from our excellent community, we are delighted to introduce our new Reviewer Spotlight feature. Each month we will highlight reviewers who have provided exceptional support to the journal over the past year.

This month, we’ll be highlighting Sangwoon Yoon, Athina Anastasaki, Jeremiah Gassensmith and Yun Chen. We asked our reviewers a few questions about what they enjoy about reviewing, and their thoughts on how to provide a useful review.

Sangwoon Yoon

 

 

 

 

 

 

 

Sangwoon Yoon, Chung-Ang University, South Korea. Sangwoon’s work involves the controlled assembly of gold and silver nanoparticles and the study of their plasmonic properties.
Athina Anastasaki

 

 

 

 

 

 

 

Athina Anastasaki, ETH Zürich, Switzerland. Athina’s research focuses on controlled radical polymerisation for the synthesis of polymers with enhanced properties and functions.
Jeremiah Gassensmith

 

 

 

 

 

 

 

Jeremiah Gassensmith, The University of Texas at Dallas, USA. Jeremiah studies solid state materials, like MOFs and molecular crystals, and biomaterials, such as viruses, and their interface.
Yun Chen

 

 

 

 

 

 

 

 

Yun Chen, Nanjing Medical University, China. Yun’s research is focused on the development of mass spectrometry-based chemical mapping and quantification assays towards the molecular understanding of disease.

 

 

 

What encouraged you to review for Chemical Science?

Sangwoon Yoon: Reviewing is just a part of my service to the community. It is also a way of communicating with other scientists. I always try to help improve the quality of manuscripts through the review process.

Jeremiah Gassensmith: I usually review papers that I would read anyway and so it’s not very surprising that the papers at Chemical Science would be at the interdisciplinary interface that I enjoy.

What do you enjoy most about reviewing?

Athina Anastasaki: What I enjoy the most when reviewing is the unique feeling that I am the very first person who reads this exciting piece of science. And this is both an honour and a responsibility.

Yun Chen: By reviewing, I can have a chance to get in touch with the advanced level of research in the world.

What are you looking for in a paper that you can recommend for acceptance in Chemical Science?

Sangwoon Yoon: I look at all aspects – whether conclusions are supported by data, whether data are properly interpreted, whether data were acquired using the right methods, whether citations are impartially given, etc.

What makes a paper truly stand out for you when reviewing a paper?

Athina Anastasaki: Cool science is always the most important thing that stands out and this can be better illustrated through good quality and self-explanatory figures.

Do you have any advice to our readers seeking publication in Chemical Science on what makes a good paper?

Jeremiah Gassensmith: Writing papers and cooking food share an open secret—people eat first with their eyes. The figures must tell the story and it is worth every second of your time to get them polished to high art. Good scientists turn good science into art with Adobe Illustrator…the bad ones turn nonsense into science with Photoshop. Learn the difference!

What single piece of advice would you give to someone about to write their first review?

Athina Anastasaki: Treat the authors the way you would like to be treated. As reviewers our job is not to reject papers; this is the editor’s job. Even if the paper will be eventually rejected, our job is to improve it by being respectful and providing constructive feedback.

Did reviewing for Chemical Science affect how you approached preparation of your recent publication with us?

Yun Chen: Yes, absolutely. Reviewing other papers reminds me not to make similar mistakes.

How do you balance reviewing with your other activities?

Jeremiah Gassensmith: Precariously…

 

Tune in next month to meet our next group of #ChemSciReviewers!

If you want to learn more about how we support our reviewers, check out our Reviewer Hub.

Interested in joining our ever-growing reviewer community? Send us your CV and a completed Reviewer Application Form to becomeareviewer@rsc.org.

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Chemical Science welcomes new Associate Editor Tanja Junkers

We wish a very warm welcome to our new Chemical Science Associate Editor Tanja Junkers!

Tanja Junkers Chemcial Science Associate Editor

 

We are pleased to welcome Professor Tanja Junkers to the Chemical Science Editorial Board this month as a new Associate Editor for the journal. She has joined us from Polymer Chemistry where she remains as an Editorial Board member and will continue to serve as an Associate Editor and handle papers until the end of the year.

Tanja studied chemistry and graduated with a PhD in physical chemistry from Göttingen University, Germany, in 2006 and subsequently worked at the University of New South Wales, Sydney, at the Centre for Advanced Macromolecular Design as research associate. In 2008 she moved to the Karlsruhe Institute of Technology in Germany. In early 2010 she was appointed professor at Hasselt University, Belgium, where she founded the Polymer Reaction Design research group within the Institute for Materials Research. In January 2018 she moved back to Australia where she became full professor at Monash University in Melbourne, and since then continues activities there. She remains guest professor at Hasselt University and her group is currently active at both locations. Her main research interests are precision polymer synthesis, use of continuous flow chemistry approaches, light-induced chemistries, polymer surface modification and investigations on kinetics and mechanisms of radical reactions.

Tanja is currently a Guest Editor for a themed collection on Sustainable Polymers which you can explore here.

Browse a selection of Tanja’s work below:

A machine-readable online database for rate coefficients in radical polymerization
Joren Van Herck, Simon Harrisson, Robin A. Hutchinson, Gregory T. Russell and Tanja Junkers
Polym. Chem., 2021, 12, 3688-3692

Muconic acid isomers as platform chemicals and monomers in the biobased economy
Ibrahim Khalil, Greg Quintens, Tanja Junkers and Michiel Dusselier
Green Chem., 2020, 22, 1517-1541

Simple and secure data encryption via molecular weight distribution fingerprints
Jeroen H. Vrijsen, Maarten Rubens and Tanja Junkers
Polym. Chem., 2020, 11, 6463-6470

Direct synthesis of acrylate monomers in heterogeneous continuous flow processes
Jatuporn Salaklang, Veronique Maes, Matthias Conradi, Rudy Dams and Tanja Junkers
React. Chem. Eng., 2018, 3, 41-47

 

Chemical Science, Royal Society of Chemistry

Submit to Chemical Science today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest articles, reviews, collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

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Chemical Science HOT Articles: July 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for July 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

Browse a selection of our July HOT articles below:

Physically inspired deep learning of molecular excitations and photoemission spectra
Julia Westermayr and Reinhard J. Maurer
Chem. Sci., 2021, Advance Article

Synthesis and enantioseparation of chiral Au13 nanoclusters protected by bis-N-heterocyclic carbene ligands
Hong Yi, Kimberly M. Osten, Tetyana I. Levchenko, Alex J. Veinot, Yoshitaka Aramaki, Takashi Ooi, Masakazu Nambo and Cathleen M. Crudden
Chem. Sci., 2021, Advance Article

A copper-free and enzyme-free click chemistry-mediated single quantum dot nanosensor for accurate detection of microRNAs in cancer cells and tissues
Zi-yue Wang, Dong-ling Li, Xiaorui Tian and Chun-yang Zhang
Chem. Sci., 2021, Advance Article

Azanone (HNO): generation, stabilization and detection
Cecilia Mariel Gallego, Agostina Mazzeo, Paola Vargas, Sebastián Suárez, Juan Pellegrino and Fabio Doctorovich
Chem. Sci., 2021, Advance Article

Coumarin luciferins and mutant luciferases for robust multi-component bioluminescence imaging
Zi Yao, Donald R. Caldwell, Anna C. Love, Bethany Kolbaba-Kartchner, Jeremy H. Mills, Martin J. Schnermann and Jennifer A. Prescher
Chem. Sci., 2021, Advance Article

Conformational interplay in hybrid peptide–helical aromatic foldamer macrocycles
Sebastian Dengler, Pradeep K. Mandal, Lars Allmendinger, Céline Douat and Ivan Huc
Chem. Sci., 2021, Advance Article

Chemical Science, Royal Society of Chemistry

Submit to Chemical Science today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest articles, reviews, collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

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Chemical Science HOT Articles: June 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for June 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

Browse a selection of our June HOT articles below:

[GaF(H2O)][IO3F]: a promising NLO material obtained by anisotropic polycation substitution
Qian-Ming Huang, Chun-Li Hu, Bing-Ping Yang, Zhi Fang, Yuan Lin, Jin Chen, Bing-Xuan Li and Jiang-Gao Mao
Chem. Sci., 2021, Advance Article

Photocleavable proteins that undergo fast and efficient dissociation
Xiaocen Lu, Yurong Wen, Shuce Zhang, Wei Zhang, Yilun Chen, Yi Shen, M. Joanne Lemieux and Robert E. Campbell
Chem. Sci., 2021, Advance Article

Electrochemically switchable polymerization from surface-anchored molecular catalysts
Miao Qi, Haochuan Zhang, Qi Dong, Jingyi Li, Rebecca A. Musgrave, Yanyan Zhao, Nicholas Dulock, Dunwei Wang and Jeffery A. Byers
Chem. Sci., 2021, Advance Article

Flow electrochemistry: a safe tool for fluorine chemistry
Bethan Winterson, Tim Rennigholtz and Thomas Wirth
Chem. Sci., 2021, Advance Article

Biomimetic enterobactin analogue mediates iron-uptake and cargo transport into E. coli and P. aeruginosa
Robert Zscherp, Janetta Coetzee, Johannes Vornweg, Jörg Grunenberg, Jennifer Herrmann, Rolf Müller and Philipp Klahn
Chem. Sci., 2021, Advance Article

Sensitization-initiated electron transfer via upconversion: mechanism and photocatalytic applications
Felix Glaser, Christoph Kerzig and Oliver S. Wenger
Chem. Sci., 2021, Advance Article
Chemical Science, Royal Society of Chemistry

Submit to Chemical Science today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest articles, reviews, collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

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Reflecting on #RSCPoster 2021

RSCPoster

#RSCPoster is a global Twitter Poster Conference, held entirely online over the course of 24 hours. The event brings together the global chemistry community to network with colleagues across the world and at every career stage, share their research and engage in scientific debate.

The 2021 #RSCPoster Twitter Conference was held on 2 March, and brought together 5,500 attendees with almost 900 presenters from 62 countries sharing their science to a potential audience of over 41 million.

 

Yi-Tao Long, Chemcial ScienceChemical Science Associate Editor Yi-Tao Long was subject chair for #RSCAnalytical – we caught up with him to get his thoughts on the event and some advice for next year.

“This is the first time I joined this #RSCPoster event and found it really impressive. It is a very good opportunity for early career researchers and graduate students to present their work” noted Yi-Tao.

“As an Associate Editor, I think the presentation and storyline are so important for a scientific paper. Of course, science is the most important, but being interesting and appealing to a broad community is also vital” explains Yi-Tao. This advice holds true for #RSCPoster too. Yi-Tao advises, “be clear and readable when presenting the work, this makes it easier for others to be interested, especially researchers in other fields.”

This year’s #RSCAnalytical prize winner, @kellybrown_94, is a great example of this point, as Yi-Tao mentions, “this poster caught my eye at first glance”.

 

Check out the full list of winners – CLICK HERE

This year we also saw the introduction of #RSCPosterPitch – short videos from our poster presenters bringing their research to life in creative ways. The entries in this new category were impressive, check out the winning #RSCPosterPitch from @alanqf22 for inspiration!

 

And why not enter next year?

Look out for more information on the 2022 #RSCPoster Twitter Conference – coming soon!

  • no registration fees
  • participate from anywhere with Twitter access
  • meet researchers from all over the world, at every career stage
  • spend as little or as much time attending as you like
  • cash and community prizes for the best posters as judged by our excellent Committees
  • community prize for the best #RSCPosterPitch as selected by our General Committee

Thank you to all participants and judges and hope to see you next year!

With thanks to our sponsoring RSC Interest Groups & journals:

Separation Science GroupEnvironmental Chemistry Group | Molecular Spectroscopy Group | Porous Materials Group | Analyst | Analytical Methods | Biomaterials Science | Catalysis Science and Technology | ChemComm  | Chemical Science | Chemistry Education Research and Practice | Chem Soc Rev | CrystEngComm | Dalton Transactions | Energy & Environmental Science | Environmental Science: Atmospheres | Environmental Science: Nano | Environmental Science: Processes and Impacts | Environmental Science: Water Research & Technology | Faraday Discussions | Food & Function | Green Chemistry | JAAS | Journal of Materials Chemistry A | Journal of Materials Chemistry B | Journal of Materials Chemistry C | Lab on a Chip | Materials Advances | Materials Horizons | Molecular Omics | MSDE | Nanoscale | Nanoscale Advances | Nanoscale Horizons | Natural Product Reports | NJC | Organic & Biomolecular Chemistry | PCCP | Polymer Chemistry | Reaction Chemistry & Engineering | RSC Advances | RSC Chemical Biology | RSC Medicinal Chemistry |Soft Matter | Sustainable Energy & Fuels

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Chemical Science HOT Articles: May 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for May 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

Browse a selection of our May HOT articles below:

Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8
Vaibhav Kumar Shukla, Lucas Siemons, Francesco L. Gervasio and D. Flemming Hansen
Chem. Sci., 2021, Advance Article

Blue-conversion of organic dyes produces artifacts in multicolor fluorescence imaging
Do-Hyeon Kim, Yeonho Chang, Soyeon Park, Min Gyu Jeong, Yonghoon Kwon, Kai Zhou, Jungeun Noh, Yun-Kyu Choi, Triet Minh Hong, Young-Tae Chang and Sung Ho Ryu
Chem. Sci., 2021, Advance Article

Controllable DNA strand displacement by independent metal–ligand complexation
Liang-Liang Wang, Qiu-Long Zhang, Yang Wang, Yan Liu, Jiao Lin, Fan Xie and Liang Xu
Chem. Sci., 2021, Advance Article

Spatial-confinement induced electroreduction of CO and CO2 to diols on densely-arrayed Cu nanopyramids
Ling Chen, Cheng Tang, Kenneth Davey, Yao Zheng, Yan Jiao and Shi-Zhang Qiao
Chem. Sci., 2021, Advance Article

Manipulating valence and core electronic excitations of a transition-metal complex using UV/Vis and X-ray cavities
Bing Gu, Stefano M. Cavaletto, Daniel R. Nascimento, Munira Khalil, Niranjan Govind and Shaul Mukamel
Chem. Sci., 2021, Advance Article

Chemical Science, Royal Society of Chemistry

Submit to Chemical Science today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest articles, reviews, collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

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Chemical Science welcomes new Associate Editor Graeme Day

We wish a very warm welcome to our new Chemical Science Associate Editor Graeme Day!

 

Chemcial Science Associate Editor Graeme Day

 

Graeme Day was born in Canada and studied chemistry, mathematics and computing science at Saint Mary’s University in Halifax before moving to the University of Oxford for a Masters in theoretical chemistry and a PhD in computational chemistry at University College London. After postdoctoral work in the Pfizer Institute for Pharmaceutical Materials at the University of Cambridge, Graeme began his independent research as a Royal Society University Research Fellow, also in Cambridge, spending most of his time working on modelling pharmaceutical materials and computational methods for interpreting terahertz spectra of molecular crystals. He moved to the University of Southampton in 2012, where he is now Professor of Chemical Modelling, and was awarded a European Research Council Starting Grant for the ‘Accelerated design and discovery of novel molecular materials via global lattice energy minimisation’ (ANGLE). This grant shifted the focus of his research to functional materials, including porous crystals and organic electronics.

In 2020, Graeme was awarded an ERC Synergy grant ‘Autonomous Discovery of Advanced Materials’ (ADAM) with Professors Andrew Cooper (Liverpool) and Kerstin Thurow (Rostock) to integrate computational predictions, chemical space exploration with automation and robotics in the materials discovery lab. He continues to work in the area of pharmaceutical solid form modelling, has worked on methods for NMR crystallography and has a developing interest in applying machine learning methods for accelerating simulations, analysing energy landscapes and generating ideas.

Browse a selection of Graeme’s work below:

Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery
Chi Y. Cheng, Josh E. Campbell and Graeme M. Day
Chem. Sci., 2020, 11, 4922-4933

Crystal structure determination of an elusive methanol solvate – hydrate of catechin using crystal structure prediction and NMR crystallography
Marta K. Dudek, Piotr Paluch, Justyna Śniechowska, Karol P. Nartowski, Graeme M. Day and Marek J. Potrzebowski
CrystEngComm, 2020, 22, 4969-4981

Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework
Catherine M. Aitchison, Christopher M. Kane, David P. McMahon, Peter R. Spackman, Angeles Pulido, Xiaoyan Wang, Liam Wilbraham, Linjiang Chen, Rob Clowes, Martijn A. Zwijnenburg, Reiner Sebastian Sprick, Marc A. Little, Graeme M. Day and Andrew I. Cooper
J. Mater. Chem. A, 2020, 8, 7158-7170

Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights
Peng Cui, David P. McMahon, Peter R. Spackman, Ben M. Alston, Marc A. Little, Graeme M. Day and Andrew I. Cooper
Chem. Sci., 2019, 10, 9988-9997

 

Chemical Science, Royal Society of Chemistry

Submit to Chemical Science today! Check out our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Keep up to date with our latest articles, reviews, collections & more by following us on Twitter. You can also keep informed by signing up to our E-Alerts.

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