determination of lipophilicity of some new 1,2,4-triazole derivatives by rp-hplc and rp-tlc and calculated methods
Clicks: 205
ID: 187166
2015
Article Quality & Performance Metrics
Overall Quality
Improving Quality
0.0
/100
Combines engagement data with AI-assessed academic quality
Reader Engagement
Emerging Content
4.5
/100
15 views
15 readers
Trending
AI Quality Assessment
Not analyzed
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 RM) values and the concentration of organic modifier were obtained. The lipophilicity was expressed as chromatographically derived descriptors: logkW, S, ϕ0 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, logPChS) of the same molecules. The matrices were created with logkW or RM0and logP and they have been the subject of PCA analysis.
| Reference Key |
hawry2015currentdetermination
Use this key to autocite in the manuscript while using
SciMatic Manuscript Manager or Thesis Manager
|
|---|---|
| Authors | ;Anna M. Hawrył;Ryszard S. Świeboda;Mateusz S. Gawroński;Magdalena A. Wójciak-Kosior;Łukasz P. Popiołek ;Ryszard B. Kocjan |
| Journal | proceedings - 2018 4th international conference on computing, engineering, and design, icced 2018 |
| Year | 2015 |
| DOI |
10.5267/j.ccl.2015.4.002
|
| URL | |
| Keywords |
Citations
No citations found. To add a citation, contact the admin at info@scimatic.org
Comments
No comments yet. Be the first to comment on this article.