title: Assessment of Lipophilicity Indices Derived from Retention Behavior of Antioxidant Compounds in RP-HPLC.
abstract: Reverse phase high pressure liquid chromatography was employed in order to evaluate the lipophilicity of antioxidant compounds from different classes, such as phenolic acids, flavanones, flavanols, flavones, anthocyanins, stilbenes, xantonoids, and proanthocyanidins. The retention time of each compound was measured using five different HPLC columns: RP18 (LiChroCART, Purosphere RP-18e), C8 (Zorbax, Eclipse XDBC8), C16-Amide (Discovery RP-Amide C16), CN100 (Saulentechnik, Lichrosphere), and pentafluorophenyl (Phenomenex, Kinetex PFP), and the mobile phase consisted of methanol and water (0.1% formic acid) in different proportions. The measurements were conducted at two different column temperatures, room temperature (22 °C) and, in order to mimic the environment from the human body, 37 °C. Furthermore, principal component analysis (PCA) was used to obtain new lipophilicity indices and holistic lipophilicity charts. Additionally, highly representative depictions of the chromatographic behavior of the investigated compounds and stationary phases at different temperatures were obtained using two new chemometric approaches, namely two-way joining cluster analysis and sum of ranking differences.
authors.affiliation: Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str., No. 11, RO-400028 Cluj-Napoca, România. ioanatuhutiu@ymail.com.
authors.forename: Ioana Anamaria
authors.initials: IA
authors.lastname: Sima
authors.affiliation: Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk, Poland. csarbu@chem.ubbcluj.ro.
authors.forename: Agata
authors.initials: A
authors.lastname: Kot-Wasik
authors.affiliation: Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk, Poland. wasia@pg.gda.pl.
authors.forename: Andrzej
authors.initials: A
authors.lastname: Wasik
authors.affiliation: Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk, Poland. agawasik@pg.gda.pl.
authors.forename: Jacek
authors.initials: J
authors.lastname: Namieśnik
authors.affiliation: Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str., No. 11, RO-400028 Cluj-Napoca, România. chemanal@pg.gda.pl.
authors.forename: Costel
authors.initials: C
authors.lastname: Sârbu
mesh_terms: D000465:Algorithms; D000975:Antioxidants / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D056148:Chromatography, Reverse-Phase / Q000379:methods*; D016000:Cluster Analysis; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D000432:Methanol / Q000737:chemistry; D025341:Principal Component Analysis; D013696:Temperature; D014867:Water / Q000737:chemistry
chemical_list: D000975:Antioxidants; D014867:Water; D000432:Methanol
keywords: PCA; antioxidants; lipophilicity; reversed phase high-pressure liquid chromatography (RP-HPLC); sum of ranking differences