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J-GLOBAL ID：202402267258694420   Reference number：24A0137294

Virtual Screening, Structural Analysis, and Formation Thermodynamics of Carbamazepine Cocrystals

カルバマゼピン共結晶の仮想スクリーニング,構造解析および形成熱力学【JST・京大機械翻訳】

Author (6)： Surov Artem O. (G.A. Krestov Institute of Solution Chemistry RAS, 153045 Ivanovo, Russia) ,  Ramazanova Anna G. (G.A. Krestov Institute of Solution Chemistry RAS, 153045 Ivanovo, Russia) ,  Voronin Alexander P. (G.A. Krestov Institute of Solution Chemistry RAS, 153045 Ivanovo, Russia) ,  Drozd Ksenia V. (G.A. Krestov Institute of Solution Chemistry RAS, 153045 Ivanovo, Russia) ,  Churakov Andrei V. (Institute of General and Inorganic Chemistry RAS, Leninsky Prosp. 31, 119991 Moscow, Russia) ,  Perlovich German L. (G.A. Krestov Institute of Solution Chemistry RAS, 153045 Ivanovo, Russia)
Material： Pharmaceutics (Web)
Volume： 15  Issue： 3  Page： 836  Publication year： 2023 
JST Material Number： U7258A  ISSN： 1999-4923  Document type： Article
Article type： 原著論文  Country of issue： Switzerland (CHE)  Language： ENGLISH (EN)

Abstract/Point： In this study, the existing se...

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Thesaurus term： enthalpy ,  entropy ,  crystallization ,  hydrogen bond ,  *thermodynamics ,  *structure analysis ,  drug ,  temperature dependence ,  Gibbs free energy ,  density functional method ,  *screening(inspection) ,  fatty acid ,  carboxamide ,  aromatic carboxylic acid ,  nitrogen heterocyclic compound ,  urea compound ,  polynuclear aromatic compound
Semi thesaurus term： *共結晶 ,  共結晶化 , 【Automatic Indexing@JST】

Author keywords (5)： cocrystal ,  carbamazepine ,  screening ,  thermodynamics ,  solubility

JST classification (2)： Physical pharmacy  (GY01012A) ,  Crystal growth of organic compounds  (BK13070E)

Substance index (3)： Acetamide ,  Benzoic Acid ,  Carbamazepine

Reference (116)：

• Sun, L.; Wang, Y.; Yang, F.; Zhang, X.; Hu, W. Cocrystal Engineering: A Collaborative Strategy toward Functional Materials. Adv. Mater. 2019, 31, 1902328.
• Sun, L.; Zhu, W.; Zhang, X.; Li, L.; Dong, H.; Hu, W. Creating Organic Functional Materials beyond Chemical Bond Synthesis by Organic Cocrystal Engineering. J. Am. Chem. Soc. 2021, 143, 19243-19256.
• Kavanagh, O.N.; Croker, D.M.; Walker, G.M.; Zaworotko, M.J. Pharmaceutical cocrystals: From serendipity to design to application. Drug Discov. Today 2019, 24, 796-804.
• Duggirala, N.K.; Perry, M.L.; Almarsson, Ö.; Zaworotko, M.J. Pharmaceutical cocrystals: Along the path to improved medicines. Chem. Commun. 2016, 52, 640-655.
• Bolla, G.; Nangia, A. Pharmaceutical cocrystals: Walking the talk. Chem. Commun. 2016, 52, 8342-8360.

Terms in the title (5)： カルバマゼピン ,  共結晶 ,  仮想スクリーニング ,  構造解析 ,  熱力学