Comprehensive phytochemical profiles and antioxidant activity of Korean local cultivars of red chili pepper (Capsicum annuum L.)

Frontiers in Plant Science, Год журнала: 2024, Номер 15

Опубликована: Янв. 22, 2024

Red chili pepper ( Capsicum annuum L. ), which belongs to the Solanaceae family, contains a variety of phytochemicals with health-promoting properties including capsaicinoids, phenolics and fatty acids. is one most consumed vegetables in Korea occupies largest cultivated area among spices. In this study, ethanolic extracts from two Korean local cultivars, namely Subicho Eumseong, were analyzed using hybrid trapped ion mobility Q-TOF mass spectrometer equipped UPLC system, their phytochemical profiles then compared those common phytophthora disease-resistant cultivar called Dokbulwang, extensively used for red powder public spaces across Korea. Utilizing high-resolution ion-mobility MS analysis, 458 192 compounds identified three different peppers positive negative modes, respectively, by matching reference spectral library. Principal component analysis revealed clear distinctions allowing us identify key components responsible discriminating cultivars cultivar. Furthermore, assessment total flavonoid, phenolic, antioxidant activity extracts, highlighted diverse molecular chemical profiles. Despite higher flavonoid phenolic content values observed cultivar, radical scavenging rate was particularly Subicho. This suggest presence stronger indicating potential health benefits due rich bioactive compounds. Notably, exhibited significantly proportions organic (more than four times) terpenoids Specifically, levels five major capsaicinoid found when The disparities composition activities indicate diversity present these cultivars. Further exploration could prove invaluable development native crops, potentially leading discovery novel sources molecules various applications agriculture.

Язык: Английский

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Hydrophilic Interaction Liquid Chromatography–Hydrogen/Deuterium Exchange–Mass Spectrometry (HILIC-HDX-MS) for Untargeted Metabolomics

International Journal of Molecular Sciences, Год журнала: 2024, Номер 25(5), С. 2899 - 2899

Опубликована: Март 1, 2024

Liquid chromatography with mass spectrometry (LC-MS)-based metabolomics detects thousands of molecular features (retention time–m/z pairs) in biological samples per analysis, yet the metabolite annotation rate remains low, 90% signals classified as unknowns. To enhance rates, researchers employ tandem spectral libraries and challenging silico fragmentation software. Hydrogen/deuterium exchange (HDX-MS) may offer an additional layer structural information untargeted metabolomics, especially for identifying specific unidentified metabolites that are revealed to be statistically significant. Here, we investigate potential hydrophilic interaction liquid (HILIC)-HDX-MS metabolomics. Specifically, evaluate effectiveness two approaches using hypothetical targets: post-column addition deuterium oxide (D2O) on-column HILIC-HDX-MS method. illustrate practical application HILIC-HDX-MS, apply this methodology software MS-FINDER unknown compound detected various samples, including plasma, serum, tissues, feces during HILIC-MS profiling, subsequently identified N1-acetylspermidine.

Язык: Английский

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The Proteomics Standards Initiative standardized formats for spectral libraries and fragment ion peak annotations: mzSpecLib and mzPAF

Опубликована: Авг. 5, 2024

Mass spectral libraries are collections of reference spectra, usually associated with specific analytes from which the spectra were generated, that used for further downstream analysis new spectra. There many different formats encoding libraries, but none have undergone a standardization process to ensure broad applicability applications. As part Human Proteome Organization Proteomics Standards Initiative (PSI), we developed standardized format called mzSpecLib (https://psidev.info/mzSpecLib). It is primarily data model flexibly encodes metadata about library entries using extensible PSI-MS controlled vocabulary, and can be encoded in converted between serialization formats. We also fragment ion peak annotations, mzPAF (https://psidev.info/mzPAF). defined as separate standard since it may other applications besides libraries. The standards compatible existing PSI such ProForma 2.0 Universal Spectrum Identifier. been peptides proteomics applications, basic small molecule support. They could extended future fields need encode non-peptidic analytes.

Язык: Английский

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EMBL-MCF 2.0: an LC-MS/MS method and corresponding library for high-confidence targeted and untargeted metabolomics using low-adsorption HILIC chromatography

Metabolomics, Год журнала: 2024, Номер 20(6)

Опубликована: Окт. 13, 2024

Abstract Introduction Over the past two decades, liquid chromatography-mass spectrometry (LC-MS)-based metabolomics has experienced significant growth, playing a crucial role in various scientific disciplines. However, despite these advance-ments, metabolite identification (MetID) remains challenge. To address this, stringent MetID requirements were established, emphasizing necessity of aligning experimental data with authentic reference standards using multiple criteria. Establishing dependable methods and corresponding libraries is for instilling confidence driving further progress metabolomics. Objective The EMBL-MCF 2.0 LC-MS/MS method public library was designed to facilitate both targeted untargeted exclusive focus on endogenous, polar metabolites, which are known be challenging analyze due their hydrophilic nature. By accompanying spectral robust retention times obtained from low-adsorption chromatography, high achieved accessible community. Methods built interaction chromatography (HILIC) state-of-the-art low adsorption LC hardware. Both high-resolution tandem mass spectra manually optimized reaction monitoring (MRM) transitions acquired an Orbitrap Exploris 240 QTRAP 6500+, respectively. Results Implementation biocompatible HILIC facilitated separation isomeric metabolites enhancements selectivity sensitivity. resulting comprises diverse collection more than 250 biologically relevant metabolites. methodology successfully applied investigate variety biological matrices, exemplary findings showcased murine plasma samples. Conclusions Our work resulted development library, powerful resource sensitive analyses high-confidence MetID. freely available universal . msp file format under CC-BY 4.0 license: mona.fiehnlab.ucdavis.edu https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(tags.text:%27EMBL-MCF_2.0_HRMS_Library%27) , HRMS https://www.embl.org/groups/metabolomics/instrumentation-and-software/#MCF-library

Язык: Английский

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Chemistry-based vectors map the chemical space of natural biomes from untargeted mass spectrometry data

bioRxiv (Cold Spring Harbor Laboratory), Год журнала: 2025, Номер unknown

Опубликована: Янв. 24, 2025

Abstract Untargeted metabolomics can comprehensively map the chemical space of a biome, but is limited by low annotation rates (<10%). We used chemistry-based vectors, consisting molecular fingerprints or compound classes, predicted from mass spectrometry data, to characterize compounds and samples. These characteristics vectors (CCVs) estimate fraction with specific properties in sample. Unlike aligned MS1 data intensity information, CCVs incorporate actual compounds, offering deeper insights into sample comparisons. Thus, we identified key classes differentiating biomes, such as ethers which are enriched environmental while steroids animal host-related biomes. In biomes greater variability, revealed clustering organonitrogen distal gut lipids secretions. thus enhance interpretation untargeted metabolomic providing quantifiable generalizable understanding natural

Язык: Английский

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