Multivariate curve resolution – Alternating least squares analysis of the total synchronous fluorescence spectra: An attempt to identify polyphenols contribution to the emission of apple juices

Katarzyna Włodarska , Katarzyna Pawlak-Lemańska , Igor Khmelinskii , Ewa Sikorska


Presently we applied multivariate curve resolution – alternating least squares (MCR-ALS) method for the analysis of front-face total synchronous fluorescence spectra (TSFS) of differently processed apple juices. This analysis enabled extracting of the TSFS profiles of five fluorescent components with distinct spectral characteristics and different contributions to the fluorescence of individual juices. Based on the spectral profiles and quantitative relationship with the chemical parameters describing the antioxidant properties of juices, three of the resolved components may be tentatively attributed to phenolic compounds. The analysis using multiple linear regression (MLR) and partial least square (PLS) regression confirmed better performance of fluorescence for the prediction of the total flavonoid content (TFC) as opposed to the total phenolic content (TPC) and total antioxidant capacity (TAC). This study demonstrated that MCR-ALS decomposition of the TSFS may provide a selective tool for understanding and interpretation of the observed relationships between the fluorescence and the total antioxidant indices of the apple juices.
Author Katarzyna Włodarska (WT / KTiAI)
Katarzyna Włodarska,,
- Department of Technology and Instrumental Analysis
, Katarzyna Pawlak-Lemańska (WT / KTiAI)
Katarzyna Pawlak-Lemańska,,
- Department of Technology and Instrumental Analysis
, Igor Khmelinskii - Universidade do Algarve, Portugal
Igor Khmelinskii,,
, Ewa Sikorska (WT / KTiAI)
Ewa Sikorska,,
- Department of Technology and Instrumental Analysis
Journal seriesChemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, (A 40 pkt)
Issue year2017
Publication size in sheets0.5
Keywords in EnglishTotal antioxidant capacity, Total phenolic content, Total flavonoid content, Chemometrics
ASJC Classification1508 Process Chemistry and Technology; 1602 Analytical Chemistry; 1607 Spectroscopy; 1706 Computer Science Applications; 1712 Software
Languageen angielski
Score (nominal)40
Score sourcejournalList
ScoreMinisterial score = 40.0, 19-03-2020, ArticleFromJournal
Publication indicators WoS Citations = 3; Scopus SNIP (Source Normalised Impact per Paper): 2017 = 1.229; WoS Impact Factor: 2017 = 2.701 (2) - 2017=2.689 (5)
Citation count*4 (2020-10-17)
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* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or Perish system.
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