CrystEngComm Blog

We are delighted to share with you our latest collection of recently published articles focusing on Computer Aided Solid Form Design, handpicked by Editorial Board Member Susan Reutzel-Edens, Eli Lilly and Company.

These articles are free to access until July 31^st 2020 and we hope you enjoy reading them.

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

Submit your research now

Selected articles:

Naphthalene crystal shape prediction from molecular dynamics simulations
Zoran Bjelobrk, Pablo M. Piaggi, Thilo Weber, Tarak Karmakar, Marco Mazzotti and Michele Parrinello
CrystEngComm, 2019, 21, 3280-3288.
DOI: 10.1039/C9CE00380K

Crystal-energy landscapes of active pharmaceutical ingredients using composite approaches
Luc M. LeBlanc and Erin R. Johnson
CrystEngComm, 2019, 21, 5995-6009.
DOI: 10.1039/C9CE00895K

Cocrystal design by network-based link prediction
Jan-Joris Devogelaer, Sander J. T. Brugman, Hugo Meekes, Paul Tinnemans, Elias Vlieg and René de Gelder
CrystEngComm, 2019, 21, 6875-6885.
DOI: 10.1039/C9CE01110B

Read the full collection here

Meet the Editor

Susan Reutzel-Edens is a senior research advisor in Small Molecule Design & Development at Eli Lilly and Company and adjunct professor at Purdue University. After earning her PhD at the University of Minnesota (1991) under the direction of the late Professor Margaret C. Etter, she joined Eli Lilly, where she founded the solid form design programme and for two decades 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. Her 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, as a topic editor for Crystal Growth and Design, and is a member of the Editorial Advisory Board of Journal of Pharmaceutical Sciences and the Scientific Advisory Board of the Cambridge Crystallographic Data Centre.

We are delighted to share with you our latest collection of recently published articles focusing on Mechanochemistry, handpicked by Editorial Board Member Elena Boldyreva.

These articles are free to access until April 13^th 2020 and we hope you enjoy reading them.

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

Submit your research now

Selected articles:

Dynamic behaviour in nonporous hybrid metal–organic materials via mechanochemical and gas–solid reactions
Fang Guo, Hao-Cheng Wang, Antonino Famulari, Hai-Dong Lu and Javier Martí-Rujas
CrystEngComm, 2018, 20, 6721-6726. DOI: 10.1039/C8CE01287C

On the kinetics of solvate formation through mechanochemistry
Dritan Hasa, Mariana Pastore, Mihails Arhangelskis, Benjamin Gabriele, Aurora J. Cruz-Cabeza, Gabriela Schneider Rauber, Andrew D. Bond and William Jones
CrystEngComm, 2019, 21, 2097-2104. DOI: 10.1039/C8CE00871J

Cocrystal formation by ionic liquid-assisted grinding: case study with cocrystals of caffeine
Arijit Mukherjee, Robin D. Rogers and A. S. Myerson
CrystEngComm, 2018, 20, 3817-3821. DOI: 10.1039/C8CE00859K

Read the full collection here

Meet the Editor

Editorial Board Member Professor Dr Elena Boldyreva is currently employed by Boreskov Institute of Catalysis Siberian Branch of Russian Academy of Sciences and is the Head of the Chair of Solid State Chemistry of the Novosibirsk State University. Elena Boldyreva is an Honorary Doctor of Sciences of the University of Edinburgh, a Corresponding Member of the Academy of Sciences and Arts of Slovenia and a Member of the Academia Europea. She was a Humboldt Fellow and has spent many research terms in Germany, UK, Italy, France. She served as a member of the Executive Committee of the IUCr in 2008–2014.