Modelling the thermal behaviour of carboxylic acid derivatives with cylcodextrins in the solid-state

Agotonovic-Kustrin, S., Glass, B.D., Brown, M.E., and Rotich, M.K. (2004) Modelling the thermal behaviour of carboxylic acid derivatives with cylcodextrins in the solid-state. Journal of Thermal Analysis and Calorimetry, 77 (2). pp. 391-402.

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The application of classical QSAR and molecular modelling to the inclusion complexation of natural and modified cyclodextrins (CDs) with carboxylic acid derivatives as guest molecules was examined. Information was available on the thermal behaviour, in the solid-state of benzoic acid (BA), salicylic acid (SA), and various substituted aminosalicylic acids (3-aminosalicylic acid, 3-ASA, 4-aminosalicylic acid, 4-ASA and 5-aminosalicylic acid, 5-ASA), as well as on the thermal behaviour of 1:1 molar ratio physical and kneaded mixtures of these acids with each of three different cyclodextrins, β-, (BCD) 2-hydroxypropyl-β-, (HPBCD) and γ-cyclodextrin (GCD). The thermal behaviour of the binary (1:1 stoichiometry) mixtures was modelled using stepwise multiple regression (SMR). Two models for the prediction of the percentage mass loss and enthalpy of dehydration of the physical mixtures were established with correlation coefficients (r) of 0.79 and 0.92, respectively. Decreased correlation in the thermal behaviour of kneaded mixtures indicated significant interaction and possible formation of inclusion complexes.

Item ID: 4486
Item Type: Article (Research - C1)
ISSN: 1572-8943
Keywords: carboxylic acid derivatives; cyclodextrins; stepwise multiple regression; thermal analysis
Date Deposited: 10 Jun 2009 02:52
FoR Codes: 11 MEDICAL AND HEALTH SCIENCES > 1115 Pharmacology and Pharmaceutical Sciences @ 100%
SEO Codes: 86 MANUFACTURING > 8608 Human Pharmaceutical Products > 860899 Human Pharmaceutical Products not elsewhere classified @ 100%
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