Comparison Among MIR, NIR, and LF-NMR Techniques for Quality Control of Jam Using Chemometrics
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Comparison Among MIR, NIR, and LF-NMR Techniques for Quality Control of Jam Using Chemometrics Poliana M. Santos 1 & Luiz Alberto Colnago 2 Received: 23 October 2017 / Accepted: 5 February 2018 # Springer Science+Business Media, LLC, part of Springer Nature 2018
Abstract The potential of mid-infrared (MIR), near-infrared (NIR), and low-field nuclear magnetic resonance (LF-NMR) techniques combined with chemometrics for reliable and rapid determination of soluble solids content (SSC) and moisture in jams was investigated. Forty-four different jam samples with SSC ranging from 17.49 to 73.91 (°Brix) and moisture ranging from 20.44 to 81.03% were used in this study. Principal component analysis (PCA) showed that the three spectroscopic techniques were able to distinguish the jams based on the SSC and moisture content. Partial least squares (PLS) regression exhibited a good correlation between the reference values and the MIR, NIR, and LF-NMR predicted ones, with low errors of prediction and high coefficients of determination. An F test at 95% confidence level did not indicate significant differences between the accuracy of the PLS models obtained using MIR and NIR spectroscopic techniques. However, significant differences were observed comparing MIR with LF-NMR and NIR and LF-NMR. The residual prediction deviation (RPD) up to 2.5 indicated that all models are good. Keywords Infrared spectroscopy . Low-field nuclear magnetic resonance . Chemometrics
Introduction Analytical instrumentation has provided simple, rapid, non-destructive, and, in some cases, automated methods for quality control (QC) and quality assurance (QA) of food products in all production stages in industry. Among these techniques, mid-infrared (MIR) and near-infrared (NIR) vibrational spectroscopies have received considerable attention due to the great potential for on-line/at-line food quality control (Porep et al. 2015). These techniques have been successfully applied to rapid assessment of the quality attributes and/or authenticity of meat (Prieto et al. 2009), fish (Cheng et al. 2013), dairy products (Karoui and Baerdemaeker 2007), beverages (Cozzolino et al. 2011), fruits Electronic supplementary material The online version of this article (https://doi.org/10.1007/s12161-018-1195-0) contains supplementary material, which is available to authorized users. * Poliana M. Santos [email protected] 1
Departamento Acadêmico de Química e Biologia, Universidade Tecnológica Federal do Paraná, Rua Deputado Heitor de Alencar 5000, Curitiba, Paraná 81280-340, Brazil
2
Embrapa Instrumentação, Rua XV de Novembro 1452, São Carlos, São Paulo 13560-970, Brazil
and vegetables (Nicolai et al. 2007), and others (Karoui et al. 2010; Lohumi et al. 2015). All the results have demonstrated that MIR and NIR are powerful analytical techniques for the development of non-destructive, simultaneous, and environmentally friendly (require no sample preparation) methods. Low-field nuclear magnetic resonance (NMR) spectrometers, based on benchtop instruments cryogen-f
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