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Growing Science » Authors » Ryszard B. Kocjan

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1.

Determination of lipophilicity of some new 1,2,4-triazole derivatives by RP-HPLC and RP-TLC and calculated methods Pages 101-110 PDF Download PDF

Authors: Anna M. Hawrył, Ryszard S. Świeboda, Mateusz S. Gawroński, Wójciak-Kosior Magdalena A., Popiołek Łukasz P., Ryszard B. Kocjan

doi 10.5267/j.ccl.2015.4.002

🔑 Keywords: 1-2-4-triazole derivatives, Computed logP, lipophilicity, PCA, RP-HPLC, RP-TLC

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.
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Journal: CCL | Year: 2015 | Volume: 4 | Issue: 3 | Views: 2833

 

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