An investigation of the mechanism of flux across polydimethylsiloxane membranes by use of quantitative structure-permeability relationships

被引:37
作者
Cronin, MTD [1 ]
Dearden, JC [1 ]
Gupta, R [1 ]
Moss, GP [1 ]
机构
[1] Liverpool John Moores Univ, Sch Pharm & Chem, Liverpool L3 3AF, Merseyside, England
关键词
D O I
10.1111/j.2042-7158.1998.tb06169.x
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
Quantitative structure-permeability relationships (QSPRs) based on readily calculated parameters have been developed to study penetration across a polydimethylsiloxane membrane. Maximum steady-state flux values for 256 compounds through a polydimethylsiloxane membrane were taken from previous studies. Forty-three physicochemical parameters were calculated for each compound and their significance to flux determined. Removal of fourteen outliers enabled derivation of a significant three-parameter QSPR based on the number of hydrogen-bond acceptor and donor groups and sixth-order path molecular connectivity, Models based on parameters important for penetration across human skin (log P and molecular weight) were comparatively poor. This model suggests that the mechanism of flux across a polydimethylsiloxane membrane is based mainly on hydrogen-bonding effects; as such it occurs via a mechanism of action different from that of penetration of the skin in man.
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页码:143 / 152
页数:10
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