Title of article
Determination of lipophilicity of some new 1,2,4-triazole derivatives by RP-HPLC and RP-TLC and calculated methods
Author/Authors
Hawry?، Anna M. نويسنده Department of Inorganic Chemistry, Medical University of Lublin, Chod?ki 4a, 20-093 Lublin, Poland , , ?wieboda، Ryszard S. نويسنده Department of Inorganic Chemistry, Medical University of Lublin, Chod?ki 4a, 20-093 Lublin, Poland , , Gawro?ski، Mateusz S. نويسنده Department of Inorganic Chemistry, Medical University of Lublin, Chod?ki 4a, 20-093 Lublin, Poland , , W?jciak-Kosior، Magdalena A. نويسنده Department of Analytical Chemistry, Medical University of Lublin, Chod?ki 4a, 20-093 Lublin, Poland , , Popio?ek، ?ukasz P. نويسنده Department of Organic Chemistry, Medical University of Lublin, Chod?ki 4a, 20-093 Lublin, Poland , , Kocjan، Ryszard B. نويسنده Department of Organic Chemistry, Medical University of Lublin, Chod?ki 4a, 20-093 Lublin, Poland ,
Issue Information
فصلنامه با شماره پیاپی 15 سال 2015
Pages
10
From page
101
To page
110
Abstract
Experimental and computational approaches were used to estimate the lipophilicity of novel 1,2,4-triazole derivatives. These derivatives have been subjected to this research, because they exhibit antimicrobial activity. The chromatographic analysis of RP-HPLC and RP-TLC was carried out using methanol-water or acetonitrile-water as mobile phase. The linear relationships between logk (or R_M) values and the concentration of organic modifier were obtained. The lipophilicity was expressed as chromatographically derived descriptors: ?logk?_W, S, ?0 and scores logk and R_Mcorresponding to the first principal component. The experimental lipophilicity data have been compared with the computer calculated lipophilicity parameters (milogP, clogP, ALOGPs, AClogP, AlogP, MLOGP, KOWWIN, XLOGP2, XLOGP3, ?logP?_ChS) of the same molecules. The matrices were created with ?logk?_W or R_M^0and logP and they have been the subject of PCA analysis.
Journal title
Current Chemistry Letters
Serial Year
2015
Journal title
Current Chemistry Letters
Record number
2038123
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