Analytical Metabolomics and Applications in Health, Environmental and Food Science

Fraga-Corral, María; Carpena, María; García-Oliveira, Paula; Pereira, Antía G.; Prieto, Miguel A.; Simal-Gándara, Jesús

doi:10.1080/10408347.2020.1823811

Cited by 67 publications

(33 citation statements)

References 168 publications

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“…Nuclear magnetic resonance, mass spectrometry, vibrational spectrometry, or a combination of several tech-niques are some of the approaches currently applied. All of them are focused on separating, detecting, characterizing, and quantifying those bioactive molecules as well as elucidating their structures and their function on the metabolic pathways they are involved in [136].…”

Section: Novel Extraction Techniquesmentioning

confidence: 99%

The Use of Invasive Algae Species as a Source of Secondary Metabolites and Biological Activities: Spain as Case-Study

et al. 2021

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In the recent decades, algae have proven to be a source of different bioactive compounds with biological activities, which has increased the potential application of these organisms in food, cosmetic, pharmaceutical, animal feed, and other industrial sectors. On the other hand, there is a growing interest in developing effective strategies for control and/or eradication of invasive algae since they have a negative impact on marine ecosystems and in the economy of the affected zones. However, the application of control measures is usually time and resource-consuming and not profitable. Considering this context, the valorization of invasive algae species as a source of bioactive compounds for industrial applications could be a suitable strategy to reduce their population, obtaining both environmental and economic benefits. To carry out this practice, it is necessary to evaluate the chemical and the nutritional composition of the algae as well as the most efficient methods of extracting the compounds of interest. In the case of northwest Spain, five algae species are considered invasive: Asparagopsis armata, Codium fragile, Gracilaria vermiculophylla, Sargassum muticum, and Grateulopia turuturu. This review presents a brief description of their main bioactive compounds, biological activities, and extraction systems employed for their recovery. In addition, evidence of their beneficial properties and the possibility of use them as supplement in diets of aquaculture animals was collected to illustrate one of their possible applications.

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Section: Novel Extraction Techniquesmentioning

confidence: 99%

The Use of Invasive Algae Species as a Source of Secondary Metabolites and Biological Activities: Spain as Case-Study

et al. 2021

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“…The principle of this technique is based on the energy absorbed by the functional groups' linkages (hydroxyl, carboxyl, nitrogen hydrides, etc.) and the emitted vibrations when compounds are under electromagnetic radiation (for example light), being the vibratory mode characteristic of each molecular group [38]. This method is fast and non-destructive, it requires the minimal sample preparation and permits the qualitative determination of molecules, based in their vibratory mode.…”

Section: Spectroscopic and Spectrometric Techniquesmentioning

confidence: 99%

“…Mass spectrometry (MS) is an analytical tool that permits to study the chemical composition of a sample by the analysis of the mass-to-charge ratio (m/z) of produced ions. This technique allows both quantitative and qualitative approaches [38]. MS can be utilized as a single analytical instrumentation or it can be coupled to chromatographic or even spectroscopic instruments to provide more complete and defined results.…”

Section: Mass Spectrometry: Stable Isotope-ratio Mass Spectrometry (Imentioning

confidence: 99%

“…Several techniques, such as NMR, MS, and few based in vibrational spectroscopy, have been developed to study the metabolome of biological samples. The application of more than one technique provides a more complex scenario that brings closer to the huge complexity of the metabolome [38]. The compilation of such complex matrix of data and experimental conditions requires the application of a multivariate data analysis to maximize the extraction of information.…”

Section: Metabolomics and Chemometricsmentioning

confidence: 99%

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State-of-the-Art of Analytical Techniques to Determine Food Fraud in Olive Oils

Pereira

Otero

Fraga-Corral

et al. 2021

Foods

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The benefits of the food industry compared to other sectors are much lower, which is why producers are tempted to commit fraud. Although it is a bad practice committed with a wide variety of foods, it is worth noting the case of olive oil because it is a product of great value and with a high percentage of fraud. It is for all these reasons that the authenticity of olive oil has become a major problem for producers, consumers, and legislators. To avoid such fraud, it is necessary to develop analytical techniques to detect them. In this review, we performed a complete analysis about the available instrumentation used in olive fraud which comprised spectroscopic and spectrometric methodology and analyte separation techniques such as liquid chromatography and gas chromatography. Additionally, other methodology including protein-based biomolecular techniques and analytical approaches like metabolomic, hhyperspectral imaging and chemometrics are discussed.

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“…Liquid chromatography coupled to mass spectrometry (LC−MS) is a comprehensive, unbiased technology to research small compounds, which has become increasingly popular in food, environment, and biomedical studies (Wishart, 2016) (Fraga-Corral et al, 2020). This approach has been very successful however the generated data has typically not been used to its full potential in part due to an incomplete annotation of the chemicals detected.…”

Section: Introductionmentioning

confidence: 99%

metID:A R package for automatable compound annotation for LC−MS-based data

Shen

Liang

Song-jie

et al. 2021

Preprint

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Accurate and efficient compound annotation is a long-standing challenge for LC−MSbased data (e.g. untargeted metabolomics and exposomics). Substantial efforts have been devoted to overcoming this obstacle, whereas current tools are limited by the sources of spectral information used (in-house and public databases) and are not automated and streamlined. Therefore, we developed metID, an R package that combines information from all major databases for comprehensive and streamlined compound annotation. metID is a flexible, simple, and powerful tool that can be installed on all platforms, allowing the compound annotation process to be fully automatic and reproducible. A detailed tutorial and a case study are provided in Supplementary Materials.

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Analytical Metabolomics and Applications in Health, Environmental and Food Science

Cited by 67 publications

References 168 publications

The Use of Invasive Algae Species as a Source of Secondary Metabolites and Biological Activities: Spain as Case-Study

The Use of Invasive Algae Species as a Source of Secondary Metabolites and Biological Activities: Spain as Case-Study

State-of-the-Art of Analytical Techniques to Determine Food Fraud in Olive Oils

metID:A R package for automatable compound annotation for LC−MS-based data

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