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Liquid Chromatography-Mass Spectrometry in Food Analysis: Trends and Emerging Approaches

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (31 July 2022) | Viewed by 5245

Special Issue Editors


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Guest Editor
Center of Marine Sciences (CCMAR), University of Algarve, Faro, Portugal
Interests: metabolomics; LC-MS method development; marine toxins; organic pollutants; microplastics; sample preparation

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Guest Editor
CQM - Centro de Química da Madeira, Faculty of Exact Sciences and Engineering, University of Madeira, Funchal, Portugal
Interests: food chemistry; food composition; food bioactive; foodomics; fgeographical markers; food markers; food authenticity; fraceability; food contaminants; microextraction techniques; instrumental techniques
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Special Issue Information

Dear Colleagues,

LC–MS is a powerful tool in food analysis. Consumers, as well as food suppliers and regulatory authorities, are increasingly demanding food quality, safety, and authenticity. These parameters rely on the identification and quantification of key molecules as bioactive compounds, contaminants, or regional markers, which can be readily achieved with mass spectrometry detection, particularly high-resolution and accurate instruments possessing MS/MS capabilities. Modern instruments can generate information to identify hundreds to thousands compounds in a single run. This identification power, along with their high selectivity and sensitivity, allows for high throughput under both targeted and untargeted analysis.

The present Special Issue will include reviews and full-length research articles covering the latest research trends and applications of LC–MS in food quality, safety, and authenticity. In addition, an overview of recent trends and developments in important extraction approaches and applications of LC–MS will be highlighted.

Scientists working in food sciences on LC–MS method development and validation, as well as food omics, bioactive compounds, food safety, food quality, food authenticity, food contamination and deterioration, etc., using LC–MS, are cordially invited to contribute with a research or review article in this Special Issue. The degree of novelty and the significance of the research will be scrutinized prior to the peer-review process.

Dr. José Paulo Da Silva
Prof. Dr. José Sousa Câmara
Guest Editors

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Keywords

  • LC-MS
  • Foods
  • Food Safety
  • Food Autentication
  • Food metabolomics
  • Emerging techniques

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Published Papers (2 papers)

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Research

8 pages, 859 KiB  
Article
Impurity Profiling of Dinotefuran by High Resolution Mass Spectrometry and SIRIUS Tool
by Xianjiang Li, Wen Ma, Bingxin Yang, Mengling Tu, Qinghe Zhang and Hongmei Li
Molecules 2022, 27(16), 5251; https://doi.org/10.3390/molecules27165251 - 17 Aug 2022
Cited by 7 | Viewed by 1821
Abstract
Dinotefuran (DNT) is a neonicotinoid insecticide widely used in pest control. Identification of structurally related impurities is indispensable during material purification and pesticide registration and certified reference material development, and therefore needs to be carefully characterized. In this study, a combined strategy with [...] Read more.
Dinotefuran (DNT) is a neonicotinoid insecticide widely used in pest control. Identification of structurally related impurities is indispensable during material purification and pesticide registration and certified reference material development, and therefore needs to be carefully characterized. In this study, a combined strategy with liquid chromatography high-resolution mass spectrometry and SIRIUS has been developed to elucidate impurities from DNT material. MS and MS/MS spectra were used to score the impurity candidates by isotope score and fragment tree in the computer assisted tool, SIRIUS. DNT, the main component, worked as an anchor for formula identification and impurity structure elucidation. With this strategy, two by-product impurities and one stereoisomer were identified. Their fragmentation pathways were concluded, and the mechanism for impurity formation was also proposed. This result showed a successful application for combined human intelligence and machine learning, in the identification of pesticide impurities. Full article
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16 pages, 1507 KiB  
Article
Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS
by Eleonora Oliva, Federico Fanti, Sara Palmieri, Eduardo Viteritti, Fabiola Eugelio, Alessia Pepe, Dario Compagnone and Manuel Sergi
Molecules 2022, 27(10), 3089; https://doi.org/10.3390/molecules27103089 - 11 May 2022
Cited by 22 | Viewed by 2652
Abstract
Polyphenols (PCs) are a numerous class of bioactive molecules and are known for their antioxidant activity. In this work, the potential of the quadrupole/linear ion trap hybrid mass spectrometer (LIT-QqQ) was exploited to develop a semi-untargeted method for the identification of polyphenols in [...] Read more.
Polyphenols (PCs) are a numerous class of bioactive molecules and are known for their antioxidant activity. In this work, the potential of the quadrupole/linear ion trap hybrid mass spectrometer (LIT-QqQ) was exploited to develop a semi-untargeted method for the identification of polyphenols in different food matrices: green coffee, Crocus sativus L. (saffron) and Humulus lupulus L. (hop). Several conjugate forms of flavonoids and hydroxycinnamic acid were detected using neutral loss (NL) as a survey scan coupled with dependent scans with enhanced product ion (EPI) based on information-dependent acquisition (IDA) criteria. The presented approach is focused on a specific class of molecules and provides comprehensive information on the different conjugation models that are related to specific base molecules, thus allowing a quick and effective identification of all possible combinations, such as mono-, di-, or tri-glycosylation or another type of conjugation such as quinic acid esters. Full article
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