Quantification and Modeling of Nanomechanical Properties of Chlorpropamide α, β, and γ Conformational Polymorphs Full article
| Conference |
5th Meeting of the International-Association-of-Physical-Chemists 23-26 Aug 2016 , Zhuhai |
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| Journal |
European Journal of Pharmaceutical Sciences
ISSN: 0928-0987 , E-ISSN: 1879-0720 |
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| Output data | Year: 2017, Volume: 110, Pages: 109-116 Pages count : 8 DOI: 10.1016/j.ejps.2017.06.013 | ||||||||||
| Tags | chlorpropamide, nanoindentation, Young’s modulus, indentation hardness, density functional theory, inter-planar interaction energy | ||||||||||
| Authors |
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| Affiliations |
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Funding (2)
| 1 | Russian Science Foundation | 14-13-00834 |
| 2 | Slovenian Research Agency | BI-RU/16-18-041 |
Abstract:
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.
Cite:
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 AN OpenAlex
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 AN OpenAlex
Dates:
| Submitted: | Mar 3, 2017 |
| Accepted: | Jun 8, 2017 |
| Published online: | Jun 10, 2017 |
| Published print: | Dec 15, 2017 |
Identifiers:
| Web of science: | WOS:000414696100014 |
| Scopus: | 2-s2.0-85020922715 |
| Elibrary: | 31021245 |
| Chemical Abstracts: | 2017:1028097 |
| OpenAlex: | W2622927659 |