Simultaneous Determination of the Acid Dissociation Constants of Phenolics by Multivariate Analysis of pH and Ultraviolet-Visible Spectrophotometric Measurements

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dc.contributor.authorDinc, Erdal
dc.contributor.authorSelimoglu, Faysal
dc.contributor.authorUnal, Nazangul
dc.contributor.authorErtekin, Zehra Ceren
dc.date.accessioned2024-02-23T14:17:10Z
dc.date.available2024-02-23T14:17:10Z
dc.date.issued2021
dc.departmentNEÜen_US
dc.description.abstractIn the development of new commercial products in the pharmaceutical and food industries, acid dissociation constant (K-a) values of active and inactive ingredients are important factors for the estimation of the biological activity. In this regard, new spectrophotometric approaches based on parallel factor analysis (PARAFAC) and multivariate curve resolution-alternating least squares (MCR-ALS) to pH-absorbance dataset are described for the simultaneous determination of the acid dissociation constants of the phenolics ferulic acid, 4-hydroxybenzoic acid, syringic acid, protocatechuic acid, vanillic acid, and isovanillic acid that have more than one dissociation equilibrium without using classical titration procedures. The acid dissociation constants were determined by the pH profiles obtained by bilinear MCR-ALS and trilinear PARAFAC decomposition of pH-ultraviolet and pH-ultraviolet-visible spectroscopic datasets of the phenolics. For the quantification of the acid dissociation constants with the MCR-ALS and PARAFAC approaches, the estimated spectral profiles provided an opportunity for the direct observation of the individual spectral bands of each phenolic without the use of additional software. The results showed that MCR-ALS and PARAFAC applications to spectrophotometric measurements at various pH values were alternatives for solving acid dissociation constant problems that cannot be determined by classical methods.en_US
dc.description.sponsorshipResearch Fund of Necmettin Erbakan University [182015001]; Ankara University Scientific Research Projects Coordination Unit [16H0237006, 10A3336001]en_US
dc.description.sponsorshipThis work was carried out within the Chemometrics Laboratory of Ankara University, Faculty of Pharmacy, which was founded by Ankara University Scientific Research Projects Coordination Unit (Project 10A3336001). The authors acknowledge the financial support by the Research Fund of Necmettin Erbakan University (Project Number: 182015001) and the Ankara University Scientific Research Projects Coordination Unit (Project Number: 16H0237006).en_US
dc.identifier.doi10.1080/00032719.2021.1880424
dc.identifier.endpage2637en_US
dc.identifier.issn0003-2719
dc.identifier.issn1532-236X
dc.identifier.issue16en_US
dc.identifier.scopus2-s2.0-85106058725en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage2624en_US
dc.identifier.urihttps://doi.org/10.1080/00032719.2021.1880424
dc.identifier.urihttps://hdl.handle.net/20.500.12452/12955
dc.identifier.volume54en_US
dc.identifier.wosWOS:000651319500001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Incen_US
dc.relation.ispartofAnalytical Lettersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAcid Dissociation Constanten_US
dc.subjectMultivariate Curve Resolutionen_US
dc.subjectParallel Factor Analysisen_US
dc.subjectPhenolicsen_US
dc.subjectUltraviolet-Visible Spectrophotometryen_US
dc.titleSimultaneous Determination of the Acid Dissociation Constants of Phenolics by Multivariate Analysis of pH and Ultraviolet-Visible Spectrophotometric Measurementsen_US
dc.typeArticleen_US

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