60MHz 1H NMR spectroscopy for the analysis of edible oils

Parker, T. W.; Limer, E.; Watson, Andrew D.; Defernez, Marianne; Williamson, D.S.; Kemsley, E. Kate

doi:10.1016/j.trac.2014.02.006

Cited by 130 publications

(89 citation statements)

References 34 publications

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“…The current methodologies include chromatographic [9][10][11][12][13] and spectral [14][15][16][17][18][19][20][21][22][23][24][25][26] procedures. Jabeur et al [9] recently applied gas chromatography (GC) and high performance liquid chromatography protocols to determine the minimum detectable quantities of soybean, corn, and sunflower adulterant oils in a specific EVOO cultivar by determining fatty acid (FA), triacylglycerol (TAG), and sterol compositions.…”

Section: Introductionmentioning

confidence: 99%

Novel, Rapid Identification, and Quantification of Adulterants in Extra Virgin Olive Oil Using Near‐Infrared Spectroscopy and Chemometrics

Azizian¹,

Mossoba

Fardin‐Kia

et al. 2015

Lipids

116

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A new, rapid Fourier transform near infrared (FT-NIR) spectroscopic procedure is described to screen for the authenticity of extra virgin olive oils (EVOO) and to determine the kind and amount of an adulterant in EVOO. To screen EVOO, a partial least squares (PLS1) calibration model was developed to estimate a newly created FT-NIR index based mainly on the relative intensities of two unique carbonyl overtone absorptions in the FT-NIR spectra of EVOO and other mixtures attributed to volatile (5280 cm(-1)) and non-volatile (5180 cm(-1)) components. Spectra were also used to predict the fatty acid (FA) composition of EVOO or samples spiked with an adulterant using previously developed PLS1 calibration models. Some adulterated mixtures could be identified provided the FA profile was sufficiently different from those of EVOO. To identify the type and determine the quantity of an adulterant, gravimetric mixtures were prepared by spiking EVOO with different concentrations of each adulterant. Based on FT-NIR spectra, four PLS1 calibration models were developed for four specific groups of adulterants, each with a characteristic FA composition. Using these different PLS1 calibration models for prediction, plots of predicted vs. gravimetric concentrations of an adulterant in EVOO yielded linear regression functions with four unique sets of slopes, one for each group of adulterants. Four corresponding slope rules were defined that allowed for the determination of the nature and concentration of an adulterant in EVOO products by applying these four calibration models. The standard addition technique was used for confirmation.

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Section: Introductionmentioning

confidence: 99%

Novel, Rapid Identification, and Quantification of Adulterants in Extra Virgin Olive Oil Using Near‐Infrared Spectroscopy and Chemometrics

Azizian¹,

Mossoba

Fardin‐Kia

et al. 2015

Lipids

116

View full text Add to dashboard Cite

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“…Consequently, several alternative methods have been proposed, including vibrational spectroscopies (UV-Vis, near infrared (NIR), middle infrared (MIR) and Raman), electrochemical and high-and mid-resolution 1 H, 13 C and 31 P nuclear magnetic resonance (NMR) methods. [7][8][9][10] Although these methods have become an attractive alternative due to the ability to analyze samples with little or no sample preparation, they do not allow the analysis in a completely non-invasive fashion. Recently, the feasibility of time-domain nuclear magnetic resonance (TD-NMR) to detect olive oil adulteration in a non-invasive way was explored by Xu et al 4 In their study, a low cost unilateral NMR sensor (magnet and surface coil) was applied to detect olive oil adulteration with sunflower or red palm oil.…”

Section: Introductionmentioning

confidence: 99%

Non-Invasive Detection of Adulterated Olive Oil in Full Bottles Using Time-Domain NMR Relaxometry

Santos¹,

Kock²,

Santos³

et al. 2016

Journal of the Brazilian Chemical Society

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A fast procedure using time-domain nuclear magnetic resonance (TD-NMR) to detect olive oil adulteration with polyunsaturated vegetable oils in filled bottles is proposed. The 1 H transverse relaxation times (T 2 ) of 37 commercial samples were measured using low-field nuclear magnetic resonance (LF-NMR) spectrometer and a unilateral nuclear magnetic resonance (UNMR) sensor. Results obtained with LF-NMR revealed better feasibility when compared with the UNMR sensor, with higher signal-to-noise (S/N) ratio and larger difference in the T 2 decays. Principal component analysis (PCA) exhibited tight and well-separated clusters of pure olive oil (OO), pure soybean oil (SO), and blends of OO/SO (adulterated samples). Soft independent modeling of class analogies analysis (SIMCA) classification model indicated that five brands of olive oil commercialized in Brazil were adulterated with polyunsaturated fatty acids, further confirmed by high-resolution NMR. Overall, LF-NMR provided a fast procedure for screening olive oil authenticity directly in the sealed bottles.

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“…A further advantage of NMR-based approaches is simpler and more direct sample preparation compared with that required for other analytical methods, which may involve derivatization or column chromatography. In this study, we demonstrated its practical use for food process characterization via bench-top NMR, which is a cost-effective instrument to evaluate foodstuffs [27]. In summary, we have developed FoodPro, a novel web-based tool that can search the food NMR spectrum database and compute estimated tastings, hardnesses, covariance, and correlation spectra.…”

Section: Resultsmentioning

confidence: 99%

“…Namely, a database focusing on the accumulation of NMR spectra from various food processing sources has not been constructed till date. Therefore, we have started developing such a database using bench-top-type NMR with the intended future aim of in situ characterization at various production sites [24,25,26,27,28,29]. Simultaneously, we have accumulated subjective human data accompanied by physical property data.…”

Section: Introductionmentioning

confidence: 99%

FoodPro: A Web-Based Tool for Evaluating Covariance and Correlation NMR Spectra Associated with Food Processes

et al. 2016

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Foods from agriculture and fishery products are processed using various technologies. Molecular mixture analysis during food processing has the potential to help us understand the molecular mechanisms involved, thus enabling better cooking of the analyzed foods. To date, there has been no web-based tool focusing on accumulating Nuclear Magnetic Resonance (NMR) spectra from various types of food processing. Therefore, we have developed a novel web-based tool, FoodPro, that includes a food NMR spectrum database and computes covariance and correlation spectra to tasting and hardness. As a result, FoodPro has accumulated 236 aqueous (extracted in D2O) and 131 hydrophobic (extracted in CDCl3) experimental bench-top 60-MHz NMR spectra, 1753 tastings scored by volunteers, and 139 hardness measurements recorded by a penetrometer, all placed into a core database. The database content was roughly classified into fish and vegetable groups from the viewpoint of different spectrum patterns. FoodPro can query a user food NMR spectrum, search similar NMR spectra with a specified similarity threshold, and then compute estimated tasting and hardness, covariance, and correlation spectra to tasting and hardness. Querying fish spectra exemplified specific covariance spectra to tasting and hardness, giving positive covariance for tasting at 1.31 ppm for lactate and 3.47 ppm for glucose and a positive covariance for hardness at 3.26 ppm for trimethylamine N-oxide.

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60MHz 1H NMR spectroscopy for the analysis of edible oils

Abstract: HighlightsWe present the first results from a new 60 MHz 1H NMR bench-top spectrometer.Using chemometrics, we detected hazelnut oil adulteration of olive oil at 11.2%w/w.Bench-top 60 MHz NMR performs at least as well as FTIR for this type of application.

Cited by 130 publications

References 34 publications

Novel, Rapid Identification, and Quantification of Adulterants in Extra Virgin Olive Oil Using Near‐Infrared Spectroscopy and Chemometrics

Novel, Rapid Identification, and Quantification of Adulterants in Extra Virgin Olive Oil Using Near‐Infrared Spectroscopy and Chemometrics

Non-Invasive Detection of Adulterated Olive Oil in Full Bottles Using Time-Domain NMR Relaxometry

FoodPro: A Web-Based Tool for Evaluating Covariance and Correlation NMR Spectra Associated with Food Processes

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