Archive for October, 2020

The Chemical Science Symposium 2020 – An experiment in virtual conferencing and embracing digital platforms

At the end of September we held our annual symposium – the second in a new series of symposia that intend on bringing together researchers from a broad cross-section of the chemical sciences community. The theme and subtitle for this symposium was How can machine learning and autonomy accelerate chemistry? This symposia series, the first of which was held at our historic headquarters in Burlington House, London, has an ambition to enhance social networking between members of our research community while showcasing recent developments by a diverse set of international speakers. They also present an opportunity for our delegates to interact with our journal staff, Editorial Board members and learn more about how we are improving the peer review experience at Chemical Science – for example through our new submission system and article tracker.

Earlier this year, as the COVID pandemic began disrupting our way of life and pushing the community to adapt their dissemination routes and means to network, we took the decision to move our symposium to an online environment – a new experiment for both Chemical Science and the wider Royal Society of Chemistry. The programme was adapted to encourage engagement in this virtual setting while continuing to deliver some exceptional science from our invited speakers and contributing poster presenters. Overall, the result of this was a resounding success!

The presentations from our academia and industry-based speakers were very well received – with the following topics covered:

Yousung Jung KAIST, South Korea: Efficient exploration of solid state chemical space using machine learning
Graeme Day University of Southampton, UK: Building a computational engine to guide the autonomous discovery of molecular materials
Joshua Schrier Fordham University, UK: Autonomous materials discovery: promise, pitfalls, and progress
Jill Becker Kebotix, USA: Accelerating materials innovation: discovery of electrochromic materials for smart windows
Jacqueline Cole University of Cambridge, UK: Accelerating materials discovery with data mining and machine learning
Lee Cronin University of Glasgow, UK: The Chemical Oracle
Kerstin Thurow University of Rostock, Germany: Suitable automation systems for accelerating chemical research
María José Nieves Remacha Eli Lilly & Company, Spain: Autonomous chemical synthesis in flow for drug discovery

From left to right: Y. Jung, G. Day,  J. Schrier, J. Becker, J. Cole, L. Cronin, K. Thurow, M. J. Nieves Remacha

In addition to these talks we also held a number of networking and discussion sessions, including one that focussed on the digital tools used by researchers both within and external to the chemical sciences and where the future of this discipline is heading. The discussion session, hosted by Chemical Science Editor-in-Chief Andrew Cooper and Associate Editor Alán Aspuru-Guzik complimented the work carried out by the Royal Society of Chemistry to publish a report on Digital Futures. We’ll report on this session separately.

As with all experiments, we are now in a position to reflect – some things were very successful, such as the quality of our presenters, the science being discussed and the level of engagement during our scientific sessions. However there were also challenges and aspects that need further thought in the future. Outside of software limitations and the obligatory technical hitches during a conference about digital research, perhaps predictably, networking was clearly not nearly as simple as you would find during a physical meeting. While we had a range of fantastic posters at the meeting and designated networking sessions, neither the virtual poster hall nor the chat rooms replicated the same random and chance encounters and discussions that we’re all used to and make a physical meeting such a useful and interesting place to be. So while we looked to give opportunities for delegates to connect, this is clearly an area we need to rethink. As the pandemic continues, the future effects this will inevitably have on the conferences landscape are unknown – now is a time for both researchers and event organisers to look to enable new ways to facilitate this. How do we continue the kinds of discussions that lead to knowledge sharing, future collaborations and job openings in an organic way that doesn’t require delegates to be forced into a chat room and told to network? While we ponder this problem from our side, we’d be grateful for thoughts and ideas from our community too.

So what does all this mean for 2021 – plans are currently underway for the next iteration of this symposium series and we will announce further details as soon as we can! In the meantime we would also welcome your feedback – regardless of whether you attended this meeting, our first symposium or you are thinking about maybe attending in the future. What would you like to see at our future symposia and how do you think they should be held – a physical meeting, virtually or a mixture of the two?

We’d like to take this opportunity to thank all those involved with the symposium – from our Chairs and presenters through to our delegates – thanks for helping make this such a successful meeting in these challenging times. If you would like to share any thoughts on our symposium series or suggestions for future changes (or topics) please do get in touch with our team at chemicalscience-rsc@rsc.org

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Chemical Science HOT Articles: September

We are pleased to share a selection of our referee-recommended HOT articles for September. We hope you enjoy reading these articles and congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download. You can find our full 2020 HOT article collection here.

 

Nonadiabatic dynamics in multidimensional complex potential energy surfaces
Fábris Kossoski and Mario Barbatti
Chem. Sci., 2020, 11, 9827-9835
DOI: 10.1039/D0SC04197A, Edge Article

Rhodium-catalysed tetradehydro-Diels–Alder reactions of enediynes via a rhodium-stabilized cyclic allene
Srinivas Thadkapally, Kaveh Farshadfar, Melanie A. Drew, Christopher Richardson, Alireza Ariafard, Stephen G. Pyne and Christopher J. T. Hyland
Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC04390G, Edge Article

‘Sacrificial’ supramolecular assembly and pressure-induced polymerization: toward sequence-defined functionalized nanothreads
Margaret C. Gerthoffer, Sikai Wu, Bo Chen, Tao Wang, Steven Huss, Shalisa M. Oburn, Vincent H. Crespi, John V. Badding and Elizabeth Elacqua
Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC03904G, Edge Article

Redox mediators accelerate electrochemically-driven solubility cycling of molecular transition metal complexes
Katherine J. Lee, Kunal M. Lodaya, Cole T. Gruninger, Eric S. Rountreea and Jillian L. Dempsey
Chem. Sci., 2020, 11, 9836-9851
DOI: 10.1039/D0SC02592E, Edge Article

Chiral Fe(ii) complex catalyzed enantioselective [1,3] O-to-C rearrangement of alkyl vinyl ethers and synthesis of chromanols and beyond
Lifeng Wang, Pengfei Zhou, Qianchi Lin, Shunxi Dong, Xiaohua Liu and Xiaoming Feng
Chem. Sci., 2020, 11, 10101-10106
DOI: 10.1039/D0SC04340K, Edge Article

Proteomimetic surface fragments distinguish targets by function
Attila Tököli, Beáta Mag, Éva Bartus, Edit Wéber, Gerda Szakonyi, Márton A. Simon, Ágnes Czibula, Éva Monostori, László Nyitray and Tamás A. Martinek
Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC03525D, Edge Article

Enhancing the photodynamic therapy efficacy of black phosphorus nanosheets by covalently grafting fullerene C60
Yajuan Liu, Daoming Zhu, Xianjun Zhu, Gaoke Cai, Jianhua Wu, Muqing Chen, Pingwu Du, Yongshun Chen, Wei Liu and Shangfeng Yang
Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC03349A, Edge Article

Acid–base chemistry at the single ion limit
Vignesh Sundaresan and Paul W. Bohn
Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC03756G, Edge Article

Structure and dynamics of catalytically competent but labile paramagnetic metal-hydrides: the Ti(iii)-H in homogeneous olefin polymerization
Enrico Salvadori, Mario Chiesa, Antonio Buonerba and Alfonso Grassi
Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC04967K, Edge Article

Catalytic asymmetric synthesis of quaternary trifluoromethyl α- to ε-amino acid derivatives via umpolung allylation/2-aza-Cope rearrangement
Xi-Shang Sun, Xing-Heng Wang, Hai-Yan Tao, Liang Wei and Chun-Jiang Wang
Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC04685J, Edge Article

 

Chemical Science, Royal Society of Chemistry

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Chemical Science: Celebrating a century of chemical excellence at Nanjing University

Celebrating a century of chemical excellence at Nanjing UniversityEstablished in 1920, the School of Chemistry and Chemical Engineering of Nanjing University is one of the world’s most active and recognised chemistry institutions. After a century of development and evolution, it is now a globally leading department dedicated to advancing the chemical sciences through cutting-edge research and world-renowned education. Chemical Science and the Royal Society of Chemistry are delighted to help celebrate the 100th anniversary of chemical sciences in Nanjing University with a themed collection. This collection was specially curated by the Dean and Vice Dean of the School of Chemistry and Chemical Engineering at Nanjing University, Professors Shuhua Li and Wei Wang, alongside Chemical Science Associate Editor Yi-Tao Long, Professor of Analytical Chemistry at Nanjing University.

This themed collection features 42 articles published in Chemical Science, the flagship journal of the Royal Society of Chemistry, between 2016-2020 by scientists in the School of Chemistry and Chemical Engineering of Nanjing University. The articles cover a broad spectrum of synthetic chemistry, analytical chemistry, material chemistry, chemical biology, and others.

In joint celebration with the 10th anniversary of Chemical Science, a virtual Symposium will be held on 12th October. The symposium will feature introductions from Chemical Science Executive Editor May Copsey and Royal Society of Chemistry Director of Publishing Emma Wilson alongside scientific talks from Chemical Science Editor-in-Chief Andrew Cooper, Associate Editors Yi-Tao Long and Shu-Li You, and Advisory Board Member Wonwoo Nam.

For more information and to register for this free-to-attend event now please visit: https://www.rsc.org/events/detail/45449/academic-forum-for-100-years-anniversary-of-chemistry-in-nanjing-university-and-10-years-anniversary-of-chemical-science

We hope you enjoy reading this collection and look forward to seeing you at the symposium on the 12th October.

Celebrating a century of chemical excellence at Nanjing University

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