SNIF-NMR Applications in an Economic Context: Fraud Detection in Food Products

Jamin, Éric; Thomas, Freddy

doi:10.1007/978-3-319-28388-3_103

Cited by 9 publications

(40 citation statements)

References 12 publications

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For the last ten years, quantitative isotope ratio monitoring 13 C NMR (irm-13 C NMR) has been successfully tested and proven as an efficient tool for the determination of positionspecific 13 C/ 12 C ratios. Several applications in different domains have shown the interest in this technique.

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confidence: 99%

“…Historically, the isotopic analysis was irm-MS (isotope ratio measured by mass spectrometry, named also Table 1. Symbols Used in This Work symbol meaning δ 13 C i 13 C isotope composition of the carbon position i measured by 13 C NMR x i isotopic abundance of position i f i molar fraction for carbon position i measured by 13 C NMR, area of the peak S i corresponding to the carbon position i divided by the sum of the area S T of all the carbon positions of the molecule F i statistical molar fraction for a carbon position i, molar fraction for the carbon position i in the case of homogeneous 13 C distribution within the molecule (for example: F i = 1/8 for caffeine) f iR reduced molar fraction for a carbon i: f i /F i C/ 12 C, 15 N/ 14 N, 18 O/ 16 O, and 34 S/ 32 S ratios with high accuracy, typically 0.2‰ for 13 C). 5 Only average values of the content of heavy isotopes (bulk or global composition) are provided, driving to a loss of information on the isotopic intramolecular distribution.…”

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Full Spectrum Isotopic ¹³C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

et al. 2018

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For the last ten years, quantitative isotope ratio monitoring C NMR (irm-C NMR) has been successfully tested and proven as an efficient tool for the determination of position-specific C/C ratios. Several applications in different domains have shown the interest in this technique. In the context of origin assignment, the possibility to track the distribution network of illicit drugs or cutting agents is of prime importance. However irm-C NMR still suffers from a relative lack of sensitivity limiting its dissemination among control laboratories. Improvements were proposed to reduce experiment time by using the INEPT sequence ("Insensitive Nuclei Enhanced by Polarization Transfer") based on polarization transfer from highly sensitive H to less sensitiveC. Several applications based on the use of the one bond scalar coupling between H andC ( J) have shown the potential of this methodology in terms of short experimental duration. However, the isotopic information given by quaternary carbons was lost. The aim of this study is to extend this approach by using short- and long-range coupling ( J, J, and J) in order to have access to all C/C position-specific ratios, i.e., acquisition of the full spectrum (FS-INEPT). It is shown that this innovative tool provides both sensitivity gain-thanks to the long-range polarization transfer-and appropriate repeatability. The relative isotopic profiles allowed the classification of two cutting agents, caffeine and paracetamol (acetaminophen), according to their origin, as it was previously observed with "classical" irm-C NMR but consuming much less sample and/or reducing the experimental time.

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Full Spectrum Isotopic ¹³C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

et al. 2018

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“…[4][5][6] NMR spectroscopy has already been demonstrated as an efficient tool for beverage authentication, as reported for wines, beers, spirits, green teas, and juices. [7][8][9][10] NMR has shown many advantages over conventional separative techniques since many chemically different compounds can be detected simultaneously, it is non-destructive, stable over time and it requires only a limited sample preparation. In the analysis of complex matrices such as food and beverages, the presence of residual water and overlapped signals, which happens especially in protonic spectra, may make it difficult to define the correct assignments and proceeding with the integration of peaks for the determination of compounds.…”

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confidence: 99%

HR‐¹H NMR spectroscopy and multivariate statistical analysis to determine the composition of herbal mixtures for infusions

Marchetti

Rossi

Pellati

et al. 2020

Phytochemical Analysis

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Introduction:The ever-growing diffusion and consumption of herbal teas, due to their sensory attributes and well-known health benefits exposes them to the real risk of adulteration, especially in the case of commercial mixtures already minced for infusion. Therefore, novel and suitable tools for the control of these valuable products are increasingly required.Objectives: This work provides new insights for the authenticity study of infusions.The main objective was verifying the potential of proton nuclear magnetic resonance( 1 H-NMR) combined with partial least square (PLS) regression to build highly predictive models, useful for the determination of the real amounts of herbs in mixtures, by the simple analysis of the related infusion.Materials and methods: Peppermint, fennel, lemon balm, and passiflora were chosen to set-up an experimental plan according to a central composite design (CCD). Onedimensional nuclear Overhauser effect spectroscopy (1D-NOESY) spectra were properly pretreated and then analysed by chemometrics to extract significant information from the raw data.Results: Venetian-blind cross-validation and different chemometric indicators (RMSEC, RMSECV, RMSEP, R 2 CAL , R 2 CV, R 2 PRED ) were used to establish the best model, which include four factors explaining 88.70 and 83.77% of the total variance in X and Y, respectively.Conclusions: These promising results have laid the basis for further development of the method, to extend its applicability and make it more scalable. This tool could replace expensive separative techniques and protect the rights of consumers with particular attention to safety issues and quality assurance.

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“…Whereas irm‐MS provides only the mean isotope ratio for the target element content as the global isotope composition, an innovative method using position‐specific isotopic analysis (PSIA) is able to measure the isotope ratios at individual sites of the molecule. The measurement of position‐specific 2 H isotope compositions based on nuclear magnetic resonance spectrometry (SNIF‐NMR™) was first proposed by Martin et al Nowadays, irm‐ 2 H NMR is a well‐established technique for food authentication and is used for the official control of wine, spirits, fruit juices, and flavors . However irm‐ 2 H NMR still suffers from a number of limitations, notably the 2 H low sensitivity, the potential H‐exchange during the manufacturing process, the lack of resolution due to overlapping signals and the low molecular dynamic ranges because of the quadrupolar relaxation, limiting irm‐ 2 H NMR to molecules of low molecular weight (< 250 g/mol).…”

Section: Introductionmentioning

confidence: 99%

Isotopomics by isotope ratio monitoring by ¹³C nuclear magnetic resonance spectrometry on cutting agents in heroin: A new approach for illicit drugs trafficking route elucidation

Joubert

Trébuchet

Mikic

et al. 2020

Drug Testing and Analysis

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In the battle against the illicit drugs market, methodologies have been developed by forensic laboratories to address the determination of the origin and dismantlement of the trafficking route for various target molecules such as heroin and cocaine. These drug profiling methods are not straightforward, especially when the target molecules are synthetic and very pure, resulting in poorly informative impurity profiles, e.g. new psychoactive substances and cutting agents. A tool based on the determination of intramolecular isotopic profiles has been developed to provide origin discrimination with a new way to profile seized cutting agents and heroin samples. Whereas stable isotope analyses by mass spectrometry give the bulk isotopic composition, nuclear magnetic resonance gives direct access to the position‐specific isotope content at natural abundance. This report shows how both 13C NMR spectrometry and 13C, 15N MS might provide complementary and valuable information to link seized caffeine and paracetamol to their origin. Here, isotopic ratio monitoring by 13C NMR (irm‐13C NMR) offers additional benefits over irm‐MS in its capability to determine a detailed isotopic profile, leading to a better method to distinguish different caffeine and paracetamol batches.

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SNIF-NMR Applications in an Economic Context: Fraud Detection in Food Products

Cited by 9 publications

References 12 publications

Full Spectrum Isotopic ¹³C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

Full Spectrum Isotopic ¹³C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

HR‐¹H NMR spectroscopy and multivariate statistical analysis to determine the composition of herbal mixtures for infusions

Isotopomics by isotope ratio monitoring by ¹³C nuclear magnetic resonance spectrometry on cutting agents in heroin: A new approach for illicit drugs trafficking route elucidation

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SNIF-NMR Applications in an Economic Context: Fraud Detection in Food Products

Cited by 9 publications

References 12 publications

Full Spectrum Isotopic 13C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

Full Spectrum Isotopic 13C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

HR‐1H NMR spectroscopy and multivariate statistical analysis to determine the composition of herbal mixtures for infusions

Isotopomics by isotope ratio monitoring by 13C nuclear magnetic resonance spectrometry on cutting agents in heroin: A new approach for illicit drugs trafficking route elucidation

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Product

Resources

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Full Spectrum Isotopic ¹³C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

Full Spectrum Isotopic ¹³C NMR Using Polarization Transfer for Position-Specific Isotope Analysis

HR‐¹H NMR spectroscopy and multivariate statistical analysis to determine the composition of herbal mixtures for infusions

Isotopomics by isotope ratio monitoring by ¹³C nuclear magnetic resonance spectrometry on cutting agents in heroin: A new approach for illicit drugs trafficking route elucidation