Quantification and Modeling of Nanomechanical Properties of Chlorpropamide α, β, and γ Conformational Polymorphs | Sciact - CRIS-система Института катализа

Quantification and Modeling of Nanomechanical Properties of Chlorpropamide α, β, and γ Conformational Polymorphs Научная публикация

Конференция

5th Meeting of the International-Association-of-Physical-Chemists
23-26 авг. 2016 , Zhuhai

Журнал

European Journal of Pharmaceutical Sciences
ISSN: 0928-0987 , E-ISSN: 1879-0720

Вых. Данные

Год: 2017, Том: 110, Страницы: 109-116 Страниц : 8 DOI: 10.1016/j.ejps.2017.06.013

Ключевые слова

chlorpropamide, nanoindentation, Young’s modulus, indentation hardness, density functional theory, inter-planar interaction energy

Авторы

Janković Biljana ^1,2 , Joksimović Tatjana ^1,2 , Stare Jernej ³ , Losev Evgeniy ^4,5 , Zemtsova Viktoriya ^4,5 , Srčič Stane ¹ , Boldyreva Elena ^4,5

Организации

1	University of Ljubljana, Department of Pharmaceutical Technology, Ljubljana, Slovenia
2	Sandoz Development Center
3	National Institute of Chemistry
4	Institute of Solid State Chemistry and Mechanochemistry SB RAS, Novosibirsk, Russia
5	Novosibirsk State University

Информация о финансировании (2)

1	Российский научный фонд	14-13-00834
2	Slovenian Research Agency	BI-RU/16-18-041

The nanomechanical properties of the α-, β-, and γ- conformational polymorphs of chlorpropamide were determined by the dynamic contact module continuous stiffness measurement at nanoindenter. The mechanical anisotropy of the α-polymorph was confirmed by indenting different faces, and its deformational behavior was assigned as ductile. Based on the nanoindentation results, the β and γ forms are moderately hard with plastic flow at contact points. The results revealed a correlation between Young's modulus and inter-planar interaction energy with regard to crystal orientation. Interpretation of the measurements was assisted by two- and three-dimensional periodic density functional theory (DFT) calculations, yielding inter-planar energies of polymorphs along the cell vectors and exhibiting a very good match with the experimental observations. The results suggest that the inter-planar interaction energy could serve as a first-order indicator for ranking the mechanical propensity of crystalline active ingredients. The study confirms the practical aspect of using the α- form for preparing chlorpropamide tablets with a direct compression procedure due to its substantial level of ductility.

Janković B. , Joksimović T. , Stare J. , Losev E. , Zemtsova V. , Srčič S. , Boldyreva E.
Quantification and Modeling of Nanomechanical Properties of Chlorpropamide α, β, and γ Conformational Polymorphs
European Journal of Pharmaceutical Sciences. 2017. V.110. P.109-116. DOI: 10.1016/j.ejps.2017.06.013 WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	3 мар. 2017 г.
Принята к публикации:	8 июн. 2017 г.
Опубликована online:	10 июн. 2017 г.
Опубликована в печати:	15 дек. 2017 г.

Web of science:	WOS:000414696100014
Scopus:	2-s2.0-85020922715
РИНЦ:	31021245
Chemical Abstracts:	2017:1028097
OpenAlex:	W2622927659

БД	Цитирований
Scopus	13
Web of science	13
OpenAlex	10