View More View Less
  • 1 Medical University of Lublin Department of Medicinal Chemistry, Faculty of Pharmacy Jaczewskiego 4 20-090 Lublin Poland
Restricted access

Thin-layer chromatography (TLC) on two adsorbents (RP18 and CN) and with six modifiers (acetonitrile, acetone, dioxane, propan 2-ol, methanol, and tetrahydrofurane), followed by classical RM value extrapolation (previous results), was chemometrically compared with new one-run gradient high-performance liquid chromatography (HPLC) (C18, C18e, CN, and DIOL columns, acetonitrile, and methanol as modifiers) and, additionally, with seven computational algorithms (ALOGPs, AClogP, ALOGP, MLOGP, KOWWIN, XLOGP2, and XLOGP3) as a lipophilicity assessment tool on 35 model compounds with known lipophilicity. The statistical significance of intercepts and slopes of Collander equation (log P — retention dependence) and their values were compared. Whole results data set was subjected to scaled principal component analysis, which allowed exploring two main trends in these data. It can be concluded that one-run gradient HPLC does not outperform TLC in lipophilicity determination. Very good correlations were obtained between real log P and computational approaches; however, this is not a surprise for such simple molecules.

  • A. Nasal, R. Kaliszan, Curr. Comput. Aided Drug Des. 2 (2006) 327–340.

    Kaliszan R. , '' (2006 ) 2 Curr. Comput. Aided Drug Des. : 327 -340.

  • Ł. Komsta, R. Skibiński, A. Berecka, A. Gumieniczek, B. Radkiewicz, M. Radoń, J. Pharm. Biomed. Anal. 53 (2010) 911–918.

    Radoń M. , '' (2010 ) 53 J. Pharm. Biomed. Anal. : 911 -918.

  • E. Gowin, Ł. Komsta, J. Planar Chromatogr. 25 (2012) 5–9.

    Komsta , '' (2012 ) 25 J. Planar Chromatogr. : 5 -9.

  • E. Gowin, Ł. Komsta, J. Planar Chromatogr. 25 (2012) 471–474.

    Komsta , '' (2012 ) 25 J. Planar Chromatogr. : 471 -474.

  • Ł. Komsta, E. Gowin, Acta Chromatogr. 26 (2014) 1–12.

    Gowin E. , '' (2014 ) 26 Acta Chromatogr. : 1 -12.

  • C.M. Du, K. Valko, C. Bevan, D. Reynolds, M.H. Abraham, Anal. Chem. 70 (2012) 4228–4234.

    Abraham M.H. , '' (2012 ) 70 Anal. Chem. : 4228 -4234.

  • A. Kaune, M. Knorrenschild, A. Kettrup, Fresenius’ J. Anal. Chem. 352 (1995) 303–312.

    Kettrup A. , '' (1995 ) 352 Fresenius’ J. Anal. Chem. : 303 -312.

  • V. Makovskaya, J.R. Dean, W.R. Tomlinson, S.M. Hitchen, M. Comber, Anal. Chim. Acta 315 (1995) 183–192.

    Comber M. , '' (1995 ) 315 Anal. Chim. Acta : 183 -192.

  • K. Valkó, Anal. Chem. 69 (1997) 2022–2029.

    Valkó K. , '' (1997 ) 69 Anal. Chem. : 2022 -2029.

For Submission Guideline click HERE

Manuscript Submission: JPC Manuscript Submission

Senior editors

Editor(s)-in-Chief: B. Spangenberg

Managing Editor: Kakuk Ágnes

Editorial Board

  • T.H. Dzido (Lublin, Poland)
  • Á. M. Móricz (Budapest, Hungary)
  • C.F. Poole (Detroit, MI, USA)
  • E. Reich (Muttenz, Switzerland)
  • B. Renger (Radolfzell, Germany)
  • I. Vovk (Ljubljana, Slovenia)

 

Advisory Board

  • E. BODOKI (Cluj-Napoca, Romania)
  • U. A. TH. BRINKMAN (Amsterdam, The Netherlands)
  • I. CHOMA (Lublin, Poland)
  • V. COMAN (Cluj-Napoca, Romania)
  • W. DAMMERTZ (Kressbronn, Germany)
  • K. FERENCZI-FODOR (Budapest, Hungary)
  • G. INDRAYANTO (Surabaya, Indonesia)
  • R. E. KAISER (Bad Dürkheim, Germany)
  • I. KLEBOVICH (Budapest, Hungary)
  • T. KOWALSKA (Katowice, Poland)
  • L. LEPRI (Florence, Italy)
  • E. MINCSOVICS (Budapest, Hungary)
  • D. NUROK (Indianapolis, IN, USA)
  • B. RENGER (Radolfzell, Germany)
  • J. K. RÓŻYŁO (Lublin, Poland)
  • J. SHERMA (Easton, PA, USA)
  • M. WAKSMUNDZKA-HAJNOS (Lublin, Poland)
  • D. WEDGE (Mississippi, USA)

A. Kakuk - Managing Editor, Akadémiai Kiadó
Address: P.O. Box 245. H-1519 Budapest, Hungary
Fax: +36 1 464 82 95
E-mail: jpc@akkrt.hu

Indexing and Abstracting Services:

  • Science Citation Index
  • Sci Search Research Alert
  • Chemistry Citation Index and Current Content/Physical
  • Chemical and Earth Sciences

 

Journal of Planar Chromatography - Modern TLC
Language English
Size A4
Year of
Foundation
1988
Volumes
per Year
1
Issues
per Year
6
Founder Akadémiai Kiadó
Founder's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher
Chief Executive Officer, Akadémiai Kiadó
ISSN 0933-4173 (Print)
ISSN 1789-0993 (Online)

Monthly Content Usage

Abstract Views Full Text Views PDF Downloads
May 2021 0 0 0
Jun 2021 0 0 0
Jul 2021 2 0 0
Aug 2021 1 0 0
Sep 2021 1 0 0
Oct 2021 0 0 0
Nov 2021 0 0 0