CrystEngComm Blog

Following the Editor’s collection on Computer Aided Solid Form Design published in 2020, we are delighted to share with you a further, recently commissioned collection of articles also focusing on Computer Aided Solid Form Design, again guest edited by Editorial Board Member Susan Reutzel-Edens, The Cambridge Crystallographic Data Centre, UK.

These articles are free to access until February 28^th 2022 and we hope you enjoy reading them.

Selected articles:

Crystal structure prediction of energetic materials and a twisted arene with Genarris and GAtor
Imanuel Bier, Dana O’Connor, Yun-Ting Hsieh, Wen Wen, Anna M. Hiszpanski, T. Yong-Jin Han and Noa Marom
CrystEngComm, 2021, 23, 6023-6038. DOI: 10.1039/ D1CE00745A

First global analysis of the GSK database of small molecule crystal structures
Leen N. Kalash, Jason C. Cole, Royston C. B. Copley, Colin M. Edge, Alexandru A. Moldovan, Ghazala Sadiq and Cheryl L. Doherty
CrystEngComm, 2021, 23, 5430-5442. DOI: 10.1039/ D1CE00665G

The trimorphism of 3-hydroxybenzoic acid: an experimental and computational study
Doris E. Braun
CrystEngComm, 2021, 23, 2513-2519. DOI: 10.1039/ D1CE00159K

Read the full collection here

Meet the Editor

Susan Reutzel-Edens was a senior research advisor in Small Molecule Design & Development at Eli Lilly and Company and adjunct professor at Purdue University. She earned her PhD at the University of Minnesota (1991) under the direction of the late Professor Margaret C. Etter. After, she joined Eli Lilly where she founded the solid form design programme. In 2021, she joined the CCDC as Head of Science.
For two decades she led a team of cross-functional scientists charged with finding commercially-viable crystalline forms for small-molecule drug products. She has contributed to the development of more than 150 compounds, is a named inventor on 12 US patents, and has published over 50 papers and book chapters on key aspects of solid form development.
Susan’s research interests include crystal polymorphism, materials design and engineering, crystal nucleation and growth, structure-property relationships, crystal structure prediction and digital design of drug products. She was elected Fellow of the Royal Society of Chemistry in 2018 and currently serves on the CrystEngComm Editorial Board. She is a member of the Editorial Advisory Board of Crystal Growth & Design and Journal of Pharmaceutical Sciences.

About CrystEngComm

Published by the Royal Society of Chemistry and with a truly international Editorial Board, CrystEngComm is the forum for the design and understanding of crystalline materials. We welcome studies on the investigation of molecular behaviour within crystals, control of nucleation and crystal growth, engineering of crystal structures, and construction of crystalline materials with tuneable properties and functions.

We invite you to submit your research to CrystEngComm and give your work the global visibility it deserves.

Submit your research now

To keep up to date with the latest articles and other journal news, sign up to the e-alerts.

We are delighted to share with you our latest collection of recently published articles focusing on Rare Earth Materials handpicked by Associate Editor, Dongfeng Xue, Multiscale Crystal Materials Research Center, Shenzhen Institute of Advanced Technology, CAS, China

Rare earth materials play a key role in many practical applications such as catalysts, lasers, luminescence, magnetism, and sensors, which are of great interest to the community. Crystallisation involves two continuous stages (including nucleation and crystal growth) when preparing rare earth materials, therefore, crystal engineering strategies may stimulate much more innovative ideas when using rare earth elements as powerful functional sources or modifiers in the scale of the whole system. Rare earth elements have f-orbitals and f-electrons that possess specific coordination abilities with a wide range of coordination numbers from 2 to 16, which provide many opportunities to create novel structures and functions.

These articles are all free to access until January 31st, 2022 and we hope you enjoy reading them.

We also invite you to submit your research to CrystEngComm to give your work the global visibility it deserves.

Submit your research now

Selected articles:

Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth Logan S. Breton, Mark D. Smith and Hans-Conrad zur Loye CrystEngComm, 2021, 23, 5241-5248
From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates Qi-Ming Qiu and Guo-Yu Yang CrystEngComm, 2021, 23, 5200-5207
Bridgman growth and characterization of a HoCa4O(BO3)3 crystal Xinchao He, Zhigang Sun, Xiaoniu Tu, Sheng Wang, Kainan Xiong, Hongbing Chen, Xiaoyan Zhang, Liming Shen and Yanqing Zheng CrystEngComm, 2021, 23, 4833-4839

Read the full collection here

Meet the Editor

Dongfeng Xue is a Professor at the Multiscale Crystal Materials Research Center, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, China. He received his PhD in inorganic chemistry at Changchun Institute of Applied Chemistry, CAS, in 1998. Following postdoctoral studies at the Universität Osnabrück, University of Ottawa and the National Institute for Materials Science in Tsukuba, he was promoted to full professor in 2001 at Dalian University of Technology, China. In 2011, he returned to Changchun Institute of Applied Chemistry to assume his professorship in materials chemistry, as the director of State Key Laboratory of Rare Earth Resource Utilization during 2015-2019. In 2020, he moved to Shandong University as the director of State Key Laboratory of Crystal Materials. In 2021, he created Multiscale Crystal Materials Research Center at Shenzhen Institute of Advanced Technology. His research interests focus on multiscale crystallization of inorganic matter for energy and optical applications. He has published more than 500 papers and book chapters, and holds around 20 patents. He is a Fellow of the Royal Society of Chemistry, a Corresponding Member of the European Academy of Arts, Sciences and Humanities (EAASH, Paris).

About CrystEngComm

Published by the Royal Society of Chemistry and with a truly international Editorial Board, CrystEngComm is the forum for the design and understanding of crystalline materials. We welcome studies on the investigation of molecular behaviour within crystals, control of nucleation and crystal growth, engineering of crystal structures, and construction of crystalline materials with tuneable properties and functions.

To keep up to date with the latest articles and other journal news, sign up to the e-alerts.