Can computed crystal energy landscapes help understand pharmaceutical solids?

Sarah L. Price, Doris E. Braun and Susan M. Reutzel-Edens

Chem. Commun., 2016, 52, 7065
DOI: 10.1039/C6CC00721J

Insight into a direct solid–solid transformation: a potential approach for the removal of residual solvents

Pengpeng Yang, Chenguang Lin, Wei Zhuang, Qingshi Wen, Fengxia Zou, Jingwei Zhou, Jinglan Wu and Hanjie Ying

CrystEngComm, 2016, 18, 1699
DOI: 10.1039/C6CE00034G

4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form

Doris E. Braun, Herbert Oberacher, Kathrin Arnhard, Maria Orlova and Ulrich J. Griesser

CrystEngComm, 2016, 18, 4053
DOI: 10.1039/C5CE01758K

Calcium ions as catalysts: Quantum chemical and experimental study of creatine cyclization to creatinine

S.S. Bachurin, A.V. Lisovin, I.O. Nechitailova, A.D. Zagrebaev, O.N. Burov, M.E. Kletskii and D.P. Berezovskiy

Biochemical and Biophysical Research Communications, 2026, 809, 153469
DOI: 10.1016/j.bbrc.2026.153469

Flame‐resistant and tough polyvinyl alcohol film with ultraviolet‐absorbing capacity

Chenlin Wang, Zhihao Zhang, Zhongying Ma, Zhenzhu Zhou, Junchao Huang and Yuhua Wang

J of Applied Polymer Sci, 2023, 140
DOI: 10.1002/app.54215

Fast Quantum Approach for Evaluating the Energy of Non-Covalent Interactions in Molecular Crystals: The Case Study of Intermolecular H-Bonds in Crystalline Peroxosolvates

Alexander G. Medvedev, Andrei V. Churakov, Mger A. Navasardyan, Petr V. Prikhodchenko, Ovadia Lev and Mikhail V. Vener

Molecules, 2022, 27, 4082
DOI: 10.3390/molecules27134082

Structure determination from X-ray powder diffraction, DFT calculation, and Hirshfeld surface analysis of two fused bicyclic and tricyclic compounds

Uday Das, Tanusri Dey, Paramita Chatterjee and Alok K. Mukherjee

Powder Diffr., 2017, 32, 86
DOI: 10.1017/S0885715617000173

San-Huang-Yi-Shen Capsule Ameliorates Diabetic Nephropathy in Rats Through Modulating the Gut Microbiota and Overall Metabolism

Xiuhai Su, Wenxia Yu, Airu Liu, Congxiang Wang, Xiuzhen Li, Juanjuan Gao, Xiaofei Liu, Wenhui Jiang, Yue Yang and Shuquan Lv

Front. Pharmacol., 2022, 12
DOI: 10.3389/fphar.2021.808867

Three oxime ether derivatives: Synthesis, crystallographic study, electronic structure and molecular electrostatic potential calculation

Tanusri Dey, Koduru Sri Shanthi Praveena, Sarbani Pal and Alok Kumar Mukherjee

Journal of Molecular Structure, 2017, 1137, 615
DOI: 10.1016/j.molstruc.2017.02.089

Two mefenamic acid derivatives: structural study using powder X-ray diffraction, Hirshfeld surface and molecular electrostatic potential calculations

Paramita Chatterjee, Tanusri Dey, Sarbani Pal and Alok K. Mukherjee

Zeitschrift für Kristallographie - Crystalline Materials, 2017, 232, 385
DOI: 10.1515/zkri-2016-2009

Hygroscopic, Creatine-Functionalized Microgels for Efficient Desiccants and Water Harvesting

Moki K. Thanusing, Brett L. Pollard and Luke A. Connal

ACS Appl. Polym. Mater., 2026
DOI: 10.1021/acsapm.5c04157

Mechanosynthesis of a Coamorphous Formulation of Creatine with Citric Acid and Humidity-Mediated Transformation into a Cocrystal

Kyle B. Pekar, Jonathan B. Lefton, Christina A. McConville, Jewel Burleson, Daniel Sethio, Elfi Kraka and Tomče Runčevski

Crystal Growth & Design, 2021, 21, 1297
DOI: 10.1021/acs.cgd.0c01560

Beneficial Impact of Semicarbazide-Sensitive Amine Oxidase Inhibition on the Potential Cytotoxicity of Creatine Supplementation in Type 2 Diabetes Mellitus

Dimitri Papukashvili, Nino Rcheulishvili and Yulin Deng

Molecules, 2020, 25, 2029
DOI: 10.3390/molecules25092029

Creatine: Polymorphs Predicted and Found

Doris E. Braun, Maria Orlova and Ulrich J. Griesser

Crystal Growth & Design, 2014, 14, 4895
DOI: 10.1021/cg501159c

Structure analysis of a phenylpyrazole carboxylic acid derivative crystallizing with three molecules in the asymmetric unit (Z′ = 3) using X-ray powder diffraction

S. Ghosh, S. Pramanik and A. K. Mukherjee

Powder Diffr., 2019, 34, 151
DOI: 10.1017/S0885715619000289

Conformational Change Initiates Dehydration in Fluconazole Monohydrate

Patricia A. Basford, Christopher A. Cameron and Aurora J. Cruz-Cabeza

Crystal Growth & Design, 2020, 20, 6044
DOI: 10.1021/acs.cgd.0c00768

Terahertz vibrational analysis and dehydration dynamics of creatine and its monohydrate

Haifeng Chen, Yongqi Jiang, Xingfeng Yang, Hanhengye Zou, Zhengqi Zha, Yonggui Zha and Zhenqi Zhu

Journal of Molecular Structure, 2026, 1360, 145626
DOI: 10.1016/j.molstruc.2026.145626

Metabolic Basis of Creatine in Health and Disease: A Bioinformatics-Assisted Review

Diego A. Bonilla, Richard B. Kreider, Jeffrey R. Stout, Diego A. Forero, Chad M. Kerksick, Michael D. Roberts and Eric S. Rawson

Nutrients, 2021, 13, 1238
DOI: 10.3390/nu13041238

Structural elucidation of phenoxybenzaldehyde derivatives from laboratory powder X-ray diffraction: A combined experimental and theoretical quantum mechanical study

Soumen Ghosh, Samiul Islam, Samiran Pramanik and Saikat Kumar Seth

Journal of Molecular Structure, 2022, 1268, 133697
DOI: 10.1016/j.molstruc.2022.133697

Five benzoic acid derivatives: Crystallographic study using X-ray powder diffraction, electronic structure and molecular electrostatic potential calculation

Samiran Pramanik, Tanusri Dey and Alok Kumar Mukherjee

Journal of Molecular Structure, 2019, 1175, 185
DOI: 10.1016/j.molstruc.2018.07.090