Mass Spectral Fragmentation Pathways of Phthalate Esters by Gas Chromatography–Tandem Mass Spectrometry

Yin, Peng; Chen, Hongping; Liu, Xin; Wang, Qinghua; Jiang, Ying; Pan, Rong

doi:10.1080/00032719.2013.879658

Cited by 21 publications

(16 citation statements)

References 19 publications

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“…In addition, the careful revision of the products separated by the GC-MS and of their MS spectrum led us to point out the presence of a phthalate ester with base peaks of m/z 207, 149 and 104 [44]; thus indicating that the phenols could have been further degraded in phthalate esters through the reactions of benzene radical, carbon dioxide and other alkyl radicals [45,46]. Finally, the drastic change in chemical composition of aromatics between LI 20 and LI 40 was attributed to the thicker layer of lignin, which prevented/slowed down the release of volatiles as mentioned in the section 3.1.…”

Section: Bio-oil Characterizationmentioning

confidence: 99%

Fast pyrolysis of lignin-coated radiata pine

Moore

Park

Segura³

et al. 2015

Journal of Analytical and Applied Pyrolysis

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Section: Bio-oil Characterizationmentioning

confidence: 99%

Fast pyrolysis of lignin-coated radiata pine

Moore

Park

Segura³

et al. 2015

Journal of Analytical and Applied Pyrolysis

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“…In addition, derivatized extracts can be affected by the increased formation of artefacts such as siloxanes after penetration of the GC vial septa by the injection needle. For these reasons, an appropriate organization of QC sample preparation and injection is of key importance to reduce noise intensity, to reduce differences between samples or batches, and for a correct determination of variations in all processes involved in data acquisition (e.g., t R and abundance) and data preprocessing (e.g., feature extraction) (see Boxes and ). We recommend a double QC sample injection along the injection queue, as the trend estimation based on a mean of two injections is more robust.…”

Section: Sample Characteristics and Preanalytical Processingmentioning

confidence: 99%

“…The frequent injection of QC samples has proven to be quite efficient for correcting small variations like batch effects. But this only solves part of the problem since some types of variation, caused by reductions in sensitivity, or the fact that different compounds or compound classes exhibit different drift patterns, are almost impossible to correct afterwards . To account for or to minimize this variation, action must be taken prior to the analytical run.…”

Section: Sample Characteristics and Preanalytical Processingmentioning

confidence: 99%

“…This procedure minimizes the bias introduced when preparing and analyzing replicate samples jointly. An example of an already existing and accepted approach is to use the experimental design to create sample run order schemes, e.g., to obtain a balanced distribution between cases and controls in all separate batches or well plates . In principle, two randomization schemes are possible: complete randomization and partial or groupwise randomization.…”

Section: Sample Characteristics and Preanalytical Processingmentioning

confidence: 99%

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Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies

Ulaszewska

Weinert

Trimigno

et al. 2018

Molecular Nutrition Food Res

191

156

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The life sciences are currently being transformed by an unprecedented wave of developments in molecular analysis, which include important advances in instrumental analysis as well as biocomputing. In light of the central role played by metabolism in nutrition, metabolomics is rapidly being established as a key analytical tool in human nutritional studies. Consequently, an increasing number of nutritionists integrate metabolomics into their study designs. Within this dynamic landscape, the potential of nutritional metabolomics (nutrimetabolomics) to be translated into a science, which can impact on health policies, still needs to be realized. A key element to reach this goal is the ability of the research community to join, to collectively make the best use of the potential offered by nutritional metabolomics. This article, therefore, provides a methodological description of nutritional metabolomics that reflects on the state-of-the-art techniques used in the laboratories of the Food Biomarker Alliance (funded by the European Joint Programming Initiative "A Healthy Diet for a Healthy Life" (JPI HDHL)) as well as points of reflections to harmonize this field. It is not intended to be exhaustive but rather to present a pragmatic guidance on metabolomic methodologies, providing readers with useful "tips and tricks" along the analytical workflow.

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“…On the basis of the mass spectra, the first thermal degradation step (zone 1) corresponds to the desorption of additives, plasticizers and to the first depolymerisation step of the polyurethane linkage, forming diisocyanates species (250-300 °C) [20]. The most abundant ions in the mass spectra of this EGA peak are fragments with m/z 174, 148, 145 which correspond to 2,6-toluene diisocyanate, and fragments with m/z 149, 121, 132, 93 which correspond to phthalates [47]. The second and the third thermal degradation steps (zones 2 and 3) may be related to the pyrolysis of the polymeric network [48].…”

Section: Resultsmentioning

confidence: 99%

Synthetic materials in art: a new comprehensive approach for the characterization of multi-material artworks by analytical pyrolysis

et al. 2019

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Modern art materials introduced since the end of XIX century include a large number of formulations of synthetic polymers and pigments, whose degradation processes and best preservation conditions are a major issue in heritage science. Analytical pyrolysis coupled with gas chromatography and mass spectrometry (Py-GC/MS) is widely used for the characterisation of polymeric materials and organic pigments, however the interpretation of the pyrograms obtained from samples containing different analytes is not straightforward. To improve our understanding on how these materials behave in complex matrices, we used evolved gas analysis coupled with mass spectrometry (EGA-MS) and multi shot Py-GC/MS to highlight and analyse the different fractions in a sample from a pop-art made of painted polyurethane (PU) foam. The study represents a proof of concept to evaluate EGA-MS potential in studying composite modern art materials in combination with multi-shot pyrolysis. The aim of the investigation was establishing the composition of the PU formulation, the paint binder and the pigments, thereby contributing to planning the stabilisation and conservation of the object. The polymers and the class of synthetic organic pigments present in the paint were assessed by determining their specific pyrolysis products and through comparisons with data in the literature. EGA-MS analysis provided both thermal and chemical information in one analytical run, so that we could select four temperatures for use in multi-shot Py-GC/MS analysis and thus to selectively study the different fractions evolved at different temperatures. Information on the various components of the mixture was obtained, including additives and organic pigments, separating them on the basis of their different thermal degradation temperatures. The multianalytical approach included also non-destructive ATR-FTIR and enabled us to characterize in detail different synthetic materials: polyether-based polyurethane produced by the polyaddition of 2,6-diisocyanate toluene, hexamethylene diisocyanate and polypropylene glycol, vinyl paint, and a mixture of β-naphthol and mono-azo as pigments. HPLC-DAD and HPLC-ESI-MS analyses confirmed the pigments, and provided a positive identification of two β-naphthols (PO5 and PR1) and two monoazo pigments (PY1 and PY3).

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Mass Spectral Fragmentation Pathways of Phthalate Esters by Gas Chromatography–Tandem Mass Spectrometry

Cited by 21 publications

References 19 publications

Fast pyrolysis of lignin-coated radiata pine

Fast pyrolysis of lignin-coated radiata pine

Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies

Synthetic materials in art: a new comprehensive approach for the characterization of multi-material artworks by analytical pyrolysis

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