Chemometric Differentiation of Pistachios (Pistacia vera, Greek ‘Aegina’ Variety) from Two Different Harvest Years Using FTIR Spectroscopy and DRIFTS and Disk Techniques
Abstract
:1. Introduction
2. Materials and Methods
2.1. Pistachio Samples
2.2. Moisture Content Measurement
2.3. DRIFTS Sample Analysis
2.4. KBr Disk Sample Analysis
2.5. FTIR Data Processing
2.6. Discriminant Analysis
3. Results
3.1. Moisture Content Measurement
3.2. FTIR Analysis
3.3. Multivariate Statistical Analysis
3.3.1. DRIFTS Discriminant Analysis
3.3.2. Disks Discriminant Analysis
4. Discussion
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Acknowledgments
Conflicts of Interest
References
- Catalán, L.; Alvarez-Ortí, M.; Pardo-Giménez, A.; Gómez, R.; Rabadán, A.; Pardo, J.E. Pistachio oil: A review on its chemical composition, extraction systems, and uses. Eur. J. Lipid Sci. Technol. 2016, 119, 1600126. [Google Scholar] [CrossRef]
- Salvador, M.D.; Ojeda-Amador, R.M.; Fregapane, G. Virgin Pistachio (Pistachia vera L.) Oil. In Fruit Oils: Chemistry and Functionality, 1st ed.; Ramadan, M.F., Ed.; Springer: Cham, Switzerland, 2019; pp. 181–197. [Google Scholar]
- Fallico, B.; Ballistreri, G.; Arena, E.; Tokuşoğlu, Ő. Nut Bioactives: Phytochemicals and Lipid Based Components of Almonds, Hazelnuts, Peanuts, Pistachios, and Walnuts. In Fruit and Cereal Bioactives: Sources, Chemistry, and Applications; Tokusoglu, Ö., Hall III, C.A., Eds.; CRC Press: Boca Raton, FL, USA, 2011; pp. 198–201. [Google Scholar]
- Martínez, M.L.; Fabani, M.P.; Baroni, M.V.; Huaman, R.N.M.; Ighani, M.; Maestri, D.M.; Wunderlin, D.; Tapia, A.; Feresin, G.E. Argentinian pistachio oil and flour: A potential novel approach of pistachio nut utilization. J. Food Sci. Technol. 2016, 53, 2260–2269. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Mahmoudi, R.; Norian, R.; Katiraee, F.; Pajohi-Alamoti, M.R.; Emami, S.J. Occurrence of aflatoxin B1 in pistachio nuts during various preparing processes: Tracing from Iran. J. Mycol. Res. 2014, 1, 1–5. [Google Scholar]
- Fogacci, F.; Cicero, A.F.G.; Derosa, G.; Rizzo, M.; Veronesi, M.; Borghi, C. Effect of pistachio on brachial artery diameter and flow-mediated dilatation: A systematic review and meta-analysis of randomized, controlled-feeding clinical studies. Crit. Rev. Food Sci. Nutr. 2019, 59, 328–335. [Google Scholar] [CrossRef] [PubMed]
- Rajaei, A.; Barzegar, M.; Mobarez, A.M.; Sahari, M.A.; Esfahani, Z.H. Antioxidant, anti-microbial and antimutagenicity activities of pistachio (Pistachia vera) green hull extract. Food Chem. Toxicol. 2010, 48, 107–112. [Google Scholar] [CrossRef]
- Pérez-Ràfols, C.; Subirats, X.; Serrano, N.; Díaz-Cruz, J.M. New discrimination tools for harvest year and varieties of white wines based on hydrophilic interaction liquid chromatography with amperometric detection. Talanta 2019, 201, 104–110. [Google Scholar] [CrossRef] [PubMed]
- Mendes, E.; Duarte, N. Mid-Infrared Spectroscopy as a Valuable Tool to Tackle Food Analysis: A Literature Review on Coffee, Dairies, Honey, Olive Oil and Wine. Foods 2021, 10, 477. [Google Scholar] [CrossRef]
- Sujka, K.; Koczoń, P.; Ceglińska, A.; Reder, M.; Ciemniewska-Żytkiewicz, H. The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers. J. Anal. Methods Chem. 2017, 2017, 4315678. [Google Scholar] [CrossRef] [PubMed]
- Larkin, P. Instrumentation and Sampling Methods. In Infrared and Raman Spectroscopy: Principles and Spectral Interpretation; Larkin, P., Ed.; Elsevier: Amsterdam, The Netherlands, 2011; pp. 27–54. [Google Scholar]
- Kaya-Celiker, H. Mid-Infrared Spectral Characterization of Aflatoxin Contamination in Peanuts. Ph.D. Thesis, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA, 2012. [Google Scholar]
- Reh, C. In-line and off-line FTIR measurements. In Instrumentation and Sensors for the Food Industry, 2nd ed.; Kress-Rogers, E., Brimelow, C.J.B., Eds.; Woodhead Publishing in Food Science and Technology: Sawston, UK, 2001; pp. 213–232. [Google Scholar]
- Dent, G. Preparation of Samples for IR Spectroscopy as KBr Disks. IJVS 1996, 1, 1–2. [Google Scholar]
- Szymańska, E.; Saccenti, E.; Smilde, A.K.; Westerhuis, J.A. Double-check: Validation of diagnostic statistics for PLS-DA models in metabolomics studies. Metabolomics 2012, 8, 3–16. [Google Scholar] [CrossRef] [Green Version]
- Barker, M.; Rayens, W. Partial least squares for discrimination. J. Chemom. 2003, 17, 166–173. [Google Scholar] [CrossRef]
- Bastien, P.; Vinzi, V.E.; Tenenhaus, M. PLS generalised linear regression. Comput. Stat. Data Anal. 2005, 48, 17–46. [Google Scholar] [CrossRef]
- Prolla, I.R.D.; Barbosa, R.G.; Veeck, A.P.L.; Augusti, P.R.; da Silva, L.P.; Ribeiro, N.D.; Emanuelli, T. Cultivar, harvest year, and storage conditions affecting nutritional quality of common beans (Phaseolus vulgaris L.). Ciênc. Tecnol. Aliment. Camp. 2010, 30, 96–102. [Google Scholar] [CrossRef] [Green Version]
- Stevens, P.J. Applied Multivariate Statistics for the Social Sciences, 3rd ed.; Lawrence Erlbaum: Mahwah, NJ, USA, 1996. [Google Scholar]
- Field, A. Discovering Statistics Using SPSS, 3rd ed.; Sage Publications Ltd.: London, UK, 2009. [Google Scholar]
- Kader, A.A.; Heintz, C.M.; Labavitch, J.M.; Rae, H.L. Studies related to the description and evaluation of pistachio nut quality [Genotype, production area, maturity, moisture content, degree of shell staining, and storage]. J. Am. Soc. Hortic. Sci. 1982, 107, 812–816. [Google Scholar]
- Kaya-Celiker, H.; Mallikarjunan, P.K.; Kaaya, A. Mid-infrared spectroscopy for discrimination and classification of Aspergillus spp. contamination in peanuts. Food Control 2015, 52, 103–111. [Google Scholar] [CrossRef]
- Valasi, L.; Kokotou, M.G.; Pappas, C.S. GC-MS, FTIR and Raman spectroscopic analysis of fatty acids of Pistacia vera (Greek variety “Aegina”) oils from two consecutive harvest periods and chemometric differentiation of oils quality. Food Res. Int. 2021, 148, 110590. [Google Scholar] [CrossRef]
- Esmaeilpour, A.; Shakerardekani, A. Effects of early harvest times on nut quality and physiological characteristics of pistachio (Pistacia vera) trees. Fruits 2018, 73, 110–117. [Google Scholar] [CrossRef]
- Alae-Carew, C.; Nicoleau, S.; Bird, F.A.; Hawkins, P.; Tuomisto, H.L.; Haines, A.; Dangour, A.D.; Scheelbeek, P.F.D. The impact of environmental changes on the yield and nutritional quality of fruits, nuts and seeds: A systematic review. Environ. Res. Lett. 2020, 15, 023002. [Google Scholar] [CrossRef] [PubMed]
- Manners, R.; Varela-Ortega, C.; van Etten, J. Protein-rich legume and pseudo-cereal crop suitability under present and future European climates. Eur. J. Agron. 2020, 113, 125974. [Google Scholar] [CrossRef]
- Hackstadt, A.J.; Hess, A.M. Filtering for increased power for microarray data analysis. BMC Bioinform. 2009, 10, 11. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Lee, B.-J.; Zhou, Y.; Lee, J.S.; Shin, B.K.; Seo, J.-A.; Lee, D.; Kim, Y.-S.; Choi, H.-K. Discrimination and prediction of the origin of Chinese and Korean soybeans using Fourier transform infrared spectrometry (FT-IR) with multivariate statistical analysis. PLoS ONE 2018, 13, e0196315. [Google Scholar] [CrossRef] [PubMed]
- XLStat 2020. Available online: https://www.xlstat.com (accessed on 2 August 2021).
- Lindgren, F.; Hansen, B. Model validation by permutation tests: Applications to variable selection. J. Chemom. 1996, 10, 521–532. [Google Scholar] [CrossRef]
- Westerhuis, J.A.; van Velzen, E.J.J.; Hoefsloot, H.C.J.; Smilde, A.K. Discriminant Q2 (DQ2) for improved discrimination in PLSDA models. Metabolomics 2008, 4, 293–296. [Google Scholar] [CrossRef] [Green Version]
- Pesarin, F.; Salmaso, L. Permutation Tests for Complex Data: Theory, Applications and Software; Wiley: Chichester, UK, 2010. [Google Scholar] [CrossRef]
- Barberini, L.; Noto, A.; Saba, L.; Palmas, F.; Fanos, V.; Dessì, A.; Zavattoni, M.; Fattuoni, C.; Mussap, M. Multivariate data validation for investigating primary HCMV infection in pregnancy. Data Brief 2016, 9, 220–230. [Google Scholar] [CrossRef] [Green Version]
- Sun, D.W. Infrared Spectroscopy for Food Quality Analysis and Control; Academic Press: Cambridge, MA, USA, 2008. [Google Scholar]
- Lercher, J.A.; Jentys, A. Infrared and Raman Spectroscopy for Characterizing Zeolites. In Introduction to Zeolite Science and Practice, 3rd ed.; Čejka, J., van Bekkum, H., Corma, A., Schüth, F., Eds.; Elsevier: Amsterdam, The Netherlands, 2007; Volume 168, pp. 435–476. [Google Scholar] [CrossRef]
Wavenumbers (cm−1) | Functional Groups | Abbreviations | Vibration Modes |
---|---|---|---|
3200–3600 | O-H | v(O-H) | stretching |
N-H of the amide group | v(Ν-H) | stretching | |
3006 | cis=C-H | v(=C-H) | stretching |
2928 | C-H of -CH2- | vas(CH2) | stretching (asymmetric) |
2856 | C-H of -CH2- | vs(CH2) | stretching (symmetric) |
1750 | C=O of esters | v(C=O) | stretching |
1660 | C=O, C-N of the amide I | v(C=O), ν(C-N) | stretching |
1550 | N-H, C-O of the amide II | δ(N-H), δ(C-O) | bending |
C-C, C-N of the amide II | ν(C-C), ν(C-N) | stretching | |
1465 | C-H of -CH2- | δs(C-H) | bending (scissoring) |
1416 | cis =C-H | ρ(=C-H) | bending (rocking) |
1365 | C-H of -CH3 | δs(C-H) | bending (symmetric) |
1240 | C-O of esters of triglycerides | vas(C-O) | stretching (asymmetric) |
C-H of -CH3 | δs(C-H) | bending (symmetric) | |
1165 | C-O | vas(C-O) | stretching (asymmetric) |
-CH2- | δ(CH2) | bending | |
1096 | C-O | v(C-O) | stretching |
725 | aromatic ring | - | deformation |
Measure | 1 PC | 2 PC | 3 PC | 4 PC | 5 PC |
---|---|---|---|---|---|
Accuracy | 0.72727 | 0.77273 | 0.86364 | 0.95455 | 0.90909 |
R2 | 0.31949 | 0.62254 | 0.87641 | 0.94666 | 0.96266 |
Q2 | 0.085499 | 0.38841 | 0.42874 | 0.60433 | 0.63152 |
Measure | 1 PC | 2 PC | 3 PC | 4 PC | 5 PC |
---|---|---|---|---|---|
Accuracy | 0.86364 | 0.95455 | 1.0 | 1.0 | 1.0 |
R2 | 0.70340 | 0.97518 | 0.97764 | 0.99418 | 0.99705 |
Q2 | 0.64544 | 0.87179 | 0.95853 | 0.96901 | 0.97719 |
Publisher’s Note: MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affiliations. |
© 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Share and Cite
Valasi, L.; Pappas, C.S. Chemometric Differentiation of Pistachios (Pistacia vera, Greek ‘Aegina’ Variety) from Two Different Harvest Years Using FTIR Spectroscopy and DRIFTS and Disk Techniques. AppliedChem 2021, 1, 62-74. https://0-doi-org.brum.beds.ac.uk/10.3390/appliedchem1010006
Valasi L, Pappas CS. Chemometric Differentiation of Pistachios (Pistacia vera, Greek ‘Aegina’ Variety) from Two Different Harvest Years Using FTIR Spectroscopy and DRIFTS and Disk Techniques. AppliedChem. 2021; 1(1):62-74. https://0-doi-org.brum.beds.ac.uk/10.3390/appliedchem1010006
Chicago/Turabian StyleValasi, Lydia, and Christos S. Pappas. 2021. "Chemometric Differentiation of Pistachios (Pistacia vera, Greek ‘Aegina’ Variety) from Two Different Harvest Years Using FTIR Spectroscopy and DRIFTS and Disk Techniques" AppliedChem 1, no. 1: 62-74. https://0-doi-org.brum.beds.ac.uk/10.3390/appliedchem1010006