Monitoring of fatty acid composition in virgin olive oil by Fourier transformed infrared spectroscopy coupled with partial least squares |
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Authors: | Rubé n M. Maggio,Teodoro S. Kaufman,Michele Del Carlo,Lorenzo Cerretani,Alessandra Bendini,Angelo Cichelli,Dario Compagnone |
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Affiliation: | 1. Control de Calidad de Medicamentos and Institute of Chemistry of Rosario (IQUIR), Universidad Nacional de Rosario, Suipacha 531, S2002LRK, Rosario, Argentina;2. Dipartimento di Scienze degli Alimenti, Università di Teramo, Via C. Lerici 1, I-64023 Mosciano Stazione (TE), Italy;3. Dipartimento di Scienze degli Alimenti, Università di Bologna, P.zza Goidanich, 60, I-47023 Cesena (FC), Italy;4. DASTA, Università G. D’annunzio Chieti-Pescara, Viale Pindaro 42, I-65127 Pescara, Italy |
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Abstract: | A rapid Fourier transformed infrared (FTIR) attenuated total reflectance (ATR) spectroscopic method was applied to the determination of fatty acid (FA) profile and peroxide value (PV) of virgin olive oil. Calibration models were constructed using partial least squares (PLS) regression. A FA calibration model was constructed in the spectral range from 3033 to 700 cm−1. Oleic acid (62.0–80.0%), linoleic acid (5.3–15.0%), saturated fatty acids (SFA, 12.6–19.7%), mono-unsaturated fatty acids (MUFA, 64.4–81.0%) and poly-unsaturated fatty acids (PUFA, 6.0–15.9%) were considered for chemometric analysis. PV (5.7–15.7 meq O2 kg−1) was calibrated using the signal of the full spectral range 4000–700 cm−1 with first derivative pre-treatment. The LODs of the FTIR-chemometric methods were: 3.0% for oleic acid, 0.5% for linoleic acid, 1.3% for SFA, 3.0% for MUFA, 0.3% for PUFA and 1.0 meq O2 kg−1 for PV. Analytical methods were evaluated by use of validation samples (n = 25 for all the FA related parameters and n = 10 for PV) with nearly quantitative recovery rates (98–103%). The proposed method provided results comparable to official procedures, with the advantages of being less expensive and more rapid. |
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Keywords: | ATR, attenuated total reflectance FA, fatty acid FTIR, Fourier transformed infrared spectroscopy GC, gas chromatography LOD, limit of detection LOQ, limit of quantification LV, latent variables MUFA, mono-unsaturated fatty acids PLS, partial least squares PUFA, poly-unsaturated fatty acids PV, peroxide value REC%, percentage relative error in calibration RMSD, root mean square deviation SFA, saturated fatty acids VOO, virgin olive oils |
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