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Untargeted metabolomics approaches require complex samples containing the endogenous metabolites of a biological system. Here, we describe a set of protocols that can be applied to various types of samples, including prokaryotic and eukaryotic cells, as well as animal and human samples. Following a single extraction step, samples are analysed using different chromatographic conditions coupled to high-resolution mass spectrometry. Quantification of metabolite changes between samples is performed without internal standards, using peak areas from extracted ion chromatograms for statistical analysis. Bioinformatics annotation of the results allows a pathway- and process-oriented analysis across biological sample conditions, allowing a complete pathway interrogation. [ABSTRACT FROM AUTHOR]

Metabolomics, as a new omics technology, has been widely accepted by researchers and has shown great potential in the field of nutrition and health in recent years. This review briefly introduces the process of metabolomics analysis, including sample preparation and extraction, derivatization, separation and detection, and data processing. This paper focuses on the application of metabolomics in food-derived bioactive ingredients. For example, metabolomics techniques are used to analyze metabolites in food to find bioactive substances or new metabolites in food materials. Moreover, bioactive substances have been tested in vitro and in vivo, as well as in humans, to investigate the changes of metabolites and the underlying metabolic pathways, among which metabolomics is used to find potential biomarkers and targets. Metabolomics provides a new approach for the prevention and regulation of chronic diseases and the study of the underlying mechanisms. It also provides strong support for the development of functional food or drugs. Although metabolomics has some limitations such as low sensitivity, poor repeatability, and limited detection range, it is developing rapidly in general, and also in the field of nutrition and health. At the end of this paper, we put forward our own insights on the development prospects of metabolomics in the application of bioactive ingredients in food. [ABSTRACT FROM AUTHOR]

Plants produce a variety of high-value chemicals (e.g., secondary metabolites) which have a plethora of biological activities, which may be utilised in many facets of industry (e.g., agrisciences, cosmetics, drugs, neutraceuticals, household products, etc.). Exposure to various different environments, as well as their treatment (e.g., exposure to chemicals), can influence the chemical makeup of these plants and, in turn, which chemicals will be prevalent within them. Essential oils (EOs) usually have complex compositions (>300 organic compounds, e.g., alkaloids, flavonoids, phenolic acids, saponins and terpenes) and are obtained from botanically defined plant raw materials by dry/steam distillation or a suitable mechanical process (without heating). In certain cases, an antioxidant may be added to the EO (EOs are produced by more than 17,500 species of plants, but only ca. 250 EOs are commercially available). The interesting bioactivity of the chemicals produced by plants renders them high in value, motivating investment in their production, extraction and analysis. Traditional methods for effectively extracting plant-derived biomolecules include cold pressing and hydro/steam distillation; newer methods include solvent/Soxhlet extractions and sustainable processes that reduce waste, decrease processing times and deliver competitive yields, examples of which include microwave-assisted extraction (MAE), ultrasound-assisted extraction (UAE), subcritical water extraction (SWE) and supercritical CO2 extraction (scCO2). Once extracted, analytical techniques such as chromatography and mass spectrometry may be used to analyse the contents of the high-value extracts within a given feedstock. The bioactive components, which can be used in a variety of formulations and products (e.g., displaying anti-aging, antibacterial, anticancer, anti-depressive, antifungal, anti-inflammatory, antioxidant, antiparasitic, antiviral and anti-stress properties), are biorenewable high-value chemicals. [ABSTRACT FROM AUTHOR]

One disease that often attacks chili (Capsicum L.) is anthracnose caused by Colletotrichum capsici [(Syd.) E.J. Butler & Bisby]. In the field, C. capsici is controlled with a chemical fungicide that harms the environment. The purple Cleome plant (Spider plant - Cleome rutidosperma Linn.) can be extracted and function as an organic fungicide for environment-friendly control. This research aimed to examine the type and concentration of purple cleome extract metabolites and understand their effectiveness in inhibiting C. capsici. Purple cleome leaf is extracted with 1:1 w/v absolute methanol and concentrated with 1:1 v/v cold absolute methanol, and then the supernatant is purified using a centrifuge. The metabolic analysis was performed using Gas Chromatography-Mass Spectrometry (GC-MS) and comparing the data with the National Center for Biotechnology Information (NCBI) database to obtain specific metabolites. The inhibition test was done with one control (P0: chemical fungicide) and two-level of treatment, i.e., the concentration of purple Cleome extract (P1: 80 % and P2: 40 %), then ANOVA and HSD test were carried out to find out the best treatment. The purple Cleome leaf extract contained three metabolite compounds as organic fungicides, namely propanoic acid 4.12 %, phenol 8.38 %, and isopropyl myristate 15.86 %. The inhibition test confirmed that 80 % (P2) purple cleome extract could suppress C. capsici attack up to 16.67 %, significantly higher than chemical fungicide (24.4 %). [ABSTRACT FROM AUTHOR]

Introduction: Chronic kidney disease (CKD) is a major public health challenge given its high global prevalence and associated risks of cardiovascular disease and progression to end stage renal disease. Although it is known that numerous metabolic changes occur in CKD patients, identifying novel metabolite associations with kidney function may enhance our understanding of the physiologic pathways relating to CKD. Objectives: The objective of this study was to elucidate novel metabolite associations with kidney function among participants of two community-based cohorts with carefully ascertained metabolomics, kidney function, and covariate data. Methods: Untargeted ultrahigh-performance liquid chromatography–tandem mass spectrometry was used to detect and quantify blood metabolites. We used multivariate adjusted linear regression to examine associations between single metabolites and creatinine-based estimated glomerular filtration rate (eGFRcr) among 1243 Bogalusa Heart Study (BHS) participants (median eGFRcr: 94.4, 5th–95th percentile: 66.0–119.6 mL/min/1.73 m2). Replication, determined by statistical significance and consistent effect direction, was tested using gold standard measured glomerular filtration rate (mGFR) among 260 Multi-Ethnic Study of Atherosclerosis (MESA) participants (median mGFR: 72.0, 5th–95th percentile: 43.5–105.0 mL/min/1.73 m2). All analyses used Bonferroni-corrected alpha thresholds. Results: Fifty-one novel metabolite associations with kidney function were identified, including 12 from previously unrelated sub-pathways: N6-carboxymethyllysine, gulonate, quinolinate, gamma-CEHC-glucuronide, retinol, methylmalonate, 3-hydroxy-3-methylglutarate, 3-aminoisobutyrate, N-methylpipecolate, hydroquinone sulfate, and glycine conjugates of C10H12O2 and C10H14O2(1). Significant metabolites were generally inversely associated with kidney function and smaller in mass-to-charge ratio than non-significant metabolites. Conclusion: The 51 novel metabolites identified may serve as early, clinically relevant, kidney function biomarkers. [ABSTRACT FROM AUTHOR]