Near and mid infrared spectroscopy and multivariate data analysis in studies of oxidation of edible oils

Krzysztof Wójcicki , Igor Khmelinskii , Marek Sikorski , Ewa Sikorska


Infrared spectroscopic techniques and chemometric methods were used to study oxidation of olive, sunflower and rapeseed oils. Accelerated oxidative degradation of oils at 60 °C was monitored using peroxide values and FT-MIR ATR and FT-NIR transmittance spectroscopy. Principal component analysis (PCA) facilitated visualization and interpretation of spectral changes occurring during oxidation. Multivariate curve resolution (MCR) method found three spectral components in the NIR and MIR spectral matrix, corresponding to the oxidation products, and saturated and unsaturated structures. Good quantitative relation was found between peroxide value and contribution of oxidation products evaluated using MCR – based on NIR (R2 = 0.890), MIR (R2 = 0.707) and combined NIR and MIR (R2 = 0.747) data. Calibration models for prediction peroxide value established using partial least squares (PLS) regression were characterized for MIR (R2 = 0.701, RPD = 1.7), NIR (R2 = 0.970, RPD = 5.3), and combined NIR and MIR data (R2 = 0.954, RPD = 3.1).
Author Krzysztof Wójcicki (WT / KTiAI)
Krzysztof Wójcicki,,
- Department of Technology and Instrumental Analysis
, Igor Khmelinskii - Universidade do Algarve, Portugal
Igor Khmelinskii,,
, Marek Sikorski - Adam Mickiewicz University (UAM)
Marek Sikorski,,
, Ewa Sikorska (WT / KTiAI)
Ewa Sikorska,,
- Department of Technology and Instrumental Analysis
Journal seriesFood Chemistry, ISSN 0308-8146, (A 40 pkt)
Issue year2015
Publication size in sheets0.5
Keywords in EnglishOlive oil; Rapeseed oil; Sunflower oil; Spectroscopic techniques; Infrared; Chemometrics
ASJC Classification2700 General Medicine; 1106 Food Science; 1602 Analytical Chemistry
Languageen angielski
Score (nominal)40
Score sourcejournalList
ScoreMinisterial score = 40.0, 05-02-2020, ArticleFromJournal
Ministerial score (2013-2016) = 40.0, 05-02-2020, ArticleFromJournal
Publication indicators WoS Citations = 28; Scopus SNIP (Source Normalised Impact per Paper): 2015 = 1.955; WoS Impact Factor: 2015 = 4.052 (2) - 2015=4.232 (5)
Citation count*52 (2020-09-22)
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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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