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- W2056162233 abstract "Abstract The release of 52 compounds into water, loaded at their solubility limits in a filler-supported polydimethylsiloxane matrix, was studied using a quantitative structure-activity relationship (QSAR) approach. Half of the compounds studied were benzene derivatives and half were pyridine derivatives. Solubility of all the solid compounds in the matrix was related to the melting point, molecular weight, partial atomic charge of the solutes and an indicator variable for the pyridine class. Release of the compounds from the matrix into water was matrix controlled with the initial release following the square root of time relationship. The slope of the linear portion of the Q vs √t plot was defined as the release coefficient. It was found that the release coefficient could be predicted by a QSAR model using melting point, hydrogen bonding energy group contribution, partial atomic charge and an indicator variable as predictors. Applicability of the model was examined by cross-validation. On the average, predicted results were accurate to within a factor of two for release coefficients over a 20000-fold range." @default.
- W2056162233 created "2016-06-24" @default.
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- W2056162233 date "1993-06-01" @default.
- W2056162233 modified "2023-09-27" @default.
- W2056162233 title "Quantitative structure-transportability relationship for the release of a series of substituted pyridines from a planar polydimethylsiloxane matrix" @default.
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- W2056162233 doi "https://doi.org/10.1016/0378-5173(93)90019-c" @default.
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