A comprehensive NMR methodology to assess the composition of biobased and biodegradable polymers in contact with food

Gratia, Audrey; Merlet, Denis; Ducruet, Violette; Lyathaud, Cedric

doi:10.1016/j.aca.2014.09.046

Cited by 11 publications

(6 citation statements)

References 37 publications

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“…The copolymer composition was determined on the basis of eq. ():

\frac{{normalI}_{MAMO}}{{normalN}_{MAMO}} \times \frac{{normalM}_{MAMO}}{{normalm}_{MAMO}} = \frac{{normalI}_{std}}{{normalN}_{std}} \times \frac{{normalM}_{std}}{{normalm}_{std}}

where I MAMO and I std correspond to the integral values of the MAMO and standard (benzoic acid), respectively; N MAMO and N std are related to the number of protons at a chemical shift in the MAMO and standard, respectively; M MAMO and M std are the molar masses of the MAMO and standard, respectively; and m MAMO and m std are the masses of the MAMO and standard (g), respectively.…”

Section: Resultsmentioning

confidence: 99%

Evaluation of the emulsion copolymerization of vinyl pivalate and methacrylated methyl oleate

Jensen

Oliveira

Gonçalves

et al. 2016

J of Applied Polymer Sci

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In this study, we synthesized a new class of copolymeric lattices based on vinyl pivalate (VPi) and modified oleic acid (OA) through a batch emulsion polymerization process. The effects of the chemically modified OA [methacrylated methyl oleate (MAMO)] on the thermal stability, glass‐transition temperature (Tg), average molar masses [mass‐average molar mass (Mw) and number‐average molar mass (Mn)], and molar mass dispersity (Ð) of the copolymers were evaluated. The experimental results indicate that via the introduction of MAMO into the polymer chains resulted in significant reductions in Tg, Mw, Mn, and Ð; this demonstrated a decrease of Tg at approximately 40 °C when the MAMO molar fraction equaled 9% compared to the value observed for the pure poly(vinyl pivalate) (PVPi), which was equal to 80.5 °C. MAMO incorporation led to a significant decrease in the Mw value observed in the interval, with a differential from approximately 1.6 × 103 to 289.6 kg/mol, and Ð values between 2.17 to 1.55, which was when the MAMO molar fraction present in the VPi‐containing copolymers varied from zero (pure PVPi) to approximately 9 mol %. We also observed that the thermal stability of the copolymers decreased slightly when the MAMO concentration increased in the reaction medium. Despite this minor drawback, polymer lattices with a high colloidal stability were formed at a high rate of polymerization, and the elevated conversion was within the interval 90–100%. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44129.

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“…The copolymer composition was determined on the basis of eq. ():

\frac{{normalI}_{MAMO}}{{normalN}_{MAMO}} \times \frac{{normalM}_{MAMO}}{{normalm}_{MAMO}} = \frac{{normalI}_{std}}{{normalN}_{std}} \times \frac{{normalM}_{std}}{{normalm}_{std}}

Section: Resultsmentioning

confidence: 99%

Evaluation of the emulsion copolymerization of vinyl pivalate and methacrylated methyl oleate

Jensen

Oliveira

Gonçalves

et al. 2016

J of Applied Polymer Sci

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“…Samples S6 and S7 were prepared from polylactide (reference PLA - PLI 003, Natureplast, Ifs, France) as a prototype of biosourced polymers. They were processed on a semi-industrial scale, as detailed in ref . Both materials contained four additives; in particular, sample S6 also included 1-hexadecanol, which was not present in the assembled library.…”

Section: Methodsmentioning

confidence: 99%

A Two-Scale Pursuit Method for the Tailored Identification and Quantification of Unknown Polymer Additives and Contaminants by ¹H NMR

Nguyên

Lyathaud

Vitrac

2015

Ind. Eng. Chem. Res.

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Blind deformulation is an important stake for several industries. This work was motivated by the identification and quantification of contaminants originated from food packaging systems. Many substances originating from plastic materials are indeed suspected to be endocrine disruptors but remain chiefly difficult to separate with spectroscopic techniques. We propose a tailored two-scale pursuit methodology to identify and quantify an arbitrary number of substances from the 1 H NMR spectrum of the mixture. Identified substances are included within a library of spectra and can be combined with undocumented ones. To preserve the initial resolution of NMR spectra, peak lines are spanned onto Gaussian kernels so that they can be identified, even when the positions and shapes of multiplets in the mixture are modified within tolerance ranges or when multiplets are overlapping. The deconvolution procedure starts with a crude pairwise search to build a list of likely substances, which is subsequently expanded as nested scenarios. Scenarios are built according to the risk of confusing similar substances. Quantification is carried out on a preference list of substances selected as in a voting system. Using a primary library of 52 substances (corresponding to 279 multiplets and 5620 lines), the reliability and robustness of the method were tested extensively in numerical experiments and by performing the brute-force deformulation of five processed common thermoplastics.

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“…It is also applied to evaluate food processing, for example, monitoring lactic acid production during milk fermentation [230], estimating nonthermal processing of orange juice [217]. In addition, food additives [246] and packaging material [245] can also be evaluated by 1 H qNMR. Food authenticity detection or adulteration analysis is an important application field of qNMR, which is well demonstrated by recent published literatures [235,239,248].…”

Section: Food Analysismentioning

confidence: 99%

Quantitative NMR Studies of Multiple Compound Mixtures

2017

Annual Reports on NMR Spectroscopy

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A comprehensive NMR methodology to assess the composition of biobased and biodegradable polymers in contact with food

Cited by 11 publications

References 37 publications

Evaluation of the emulsion copolymerization of vinyl pivalate and methacrylated methyl oleate

Evaluation of the emulsion copolymerization of vinyl pivalate and methacrylated methyl oleate

A Two-Scale Pursuit Method for the Tailored Identification and Quantification of Unknown Polymer Additives and Contaminants by ¹H NMR

Quantitative NMR Studies of Multiple Compound Mixtures

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A comprehensive NMR methodology to assess the composition of biobased and biodegradable polymers in contact with food

Cited by 11 publications

References 37 publications

Evaluation of the emulsion copolymerization of vinyl pivalate and methacrylated methyl oleate

Evaluation of the emulsion copolymerization of vinyl pivalate and methacrylated methyl oleate

A Two-Scale Pursuit Method for the Tailored Identification and Quantification of Unknown Polymer Additives and Contaminants by 1H NMR

Quantitative NMR Studies of Multiple Compound Mixtures

Contact Info

Product

Resources

About

A Two-Scale Pursuit Method for the Tailored Identification and Quantification of Unknown Polymer Additives and Contaminants by ¹H NMR