Document Detail

Theoretical and experimental studies on the internal mobility of two sulfonylurea agents: glibenclamide and glimepiride.
MedLine Citation:
PMID:  21983107     Owner:  NLM     Status:  Publisher    
Molecular dynamics of glibenclamide and glimepiride in their glassy state were studied by means of broadband dielectric spectroscopy. In both compounds we found a γ-relaxation process, with nearly the same value of activation energy. Further, we were able to identify the origin of γ relaxation by performing calculations within the framework of density functional theory. It was found that rotation of the chain end included cyclohexyl and neighboring carbonyl group is related to the observed mode in dielectric spectra. The calculated activation energy was only a few kJ per mole lower than the energies obtained from experiment. It is demonstrated that this fast γ process is insensitive to pressure. Finally, another secondary mode in glibenclamide, predicted by computations, was confirmed from dielectric measurements at elevated pressure. Our calculations indicate that this mode should be pressure-sensitive.
P Wlodarczyk; M Paluch; Z Wojnarowska; L Hawelek; K Kaminski; J Pilch
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-10-07
Journal Detail:
Title:  Journal of physics. Condensed matter : an Institute of Physics journal     Volume:  23     ISSN:  1361-648X     ISO Abbreviation:  -     Publication Date:  2011 Oct 
Date Detail:
Created Date:  2011-10-10     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  -    
Other Details:
Languages:  ENG     Pagination:  425901     Citation Subset:  -    
Institute of Physics, University of Silesia, ulica Uniwersytecka 4, 40-007 Katowice, Poland.
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