AIMC Topic: Metabolomics

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Exploring microbial natural products through NMR-based metabolomics.

Natural product reports
Covering: 2000. 01 to 2025. 03The soaring demand for novel drugs has led to an increase in the requirement for smart methods to aid in the exploration of microbial natural products (NPs). Cutting-edge metabolomics excels at prompt identification of c...

Prediction and metabolomics reveal aroma profiles of mead aged in glass bottle and oak barrels.

Food chemistry
Metabolomic analysis of volatile compounds in mead during aging in glass bottles and oak barrels revealed significant impacts on sensory characteristics. Using headspace solid-phase microextraction gas chromatography-mass spectrometry with three colu...

Metabolic Adaptation Study of Tumor Cells during Lung Cancer Bone Metastasis in Mice Based on Single-Cell Metabolome Analysis.

Journal of the American Society for Mass Spectrometry
Lung cancer metastasis, the leading cause of patient mortality, is driven by circulating tumor cells (CTCs), which act as direct mediators of metastatic spread. To elucidate the metabolic heterogeneity across lung cancer metastatic stages, a panorami...

Alternations of Gut Microbiome and Serum Metabolome With Prolongation of the Course of Type 1 Diabetes Mellitus.

Diabetes/metabolism research and reviews
AIMS: We aimed to explore the gut microbial and serum metabolic disturbances associated with the course of type 1 diabetes mellitus (T1DM), and identify potential biomarkers for discriminating T1DM from normoglycemia individuals by machine learning.

Brassica microgreens shape gut microbiota and functional metabolite profiles in a species-related manner: A multi-omics approach following in vitro gastrointestinal digestion and large intestine fermentation.

Microbiological research
Brassicaceae microgreens constitute a novel and promising source of bioactive compounds, such as polyphenols and glucosinolates. In this work, an integrative computational approach was performed to decipher the interaction between bioaccessible micro...

Estimation of postmortem interval under different ambient temperatures based on multi-organ metabolomics and machine learning algorithm.

International journal of legal medicine
In forensic practice, the estimation of postmortem interval has been a persistent challenge. Recently, there has been an increasing utilization of metabolomics techniques combined with machine learning methods for postmortem interval estimation. When...

Pseudotargeted metabolomics profiles potential damage-associated molecular patterns as machine learning predictors for acute pancreatitis.

Journal of pharmaceutical and biomedical analysis
Acute pancreatitis (AP) is a common gastrointestinal disease characterized by pancreatic cell damage and inflammation. Given the early clinical diagnosis and management challenges, exploring novel analytical frameworks from new orientations for inter...

Revisiting In-Gas Transformations of Quinate Conjugates Through the LC-qTOF-MS and Molecular Networking Topology.

Rapid communications in mass spectrometry : RCM
RATIONALE: The emergence of computational metabolomics tools such as molecular networking and machine learning-based platforms like SIRIUS has significantly advanced MS-based metabolomics studies. These tools enable rapid metabolite identification by...

Adduct-Induced Variability in Tandem Mass Spectrometry.

Analytical chemistry
Tandem mass spectrometry (MS/MS) provides essential structural information and plays a central role in compound annotation in metabolomics. While different precursor ion types are expected to influence the generation of MS/MS spectra, systematic inve...

Integrated multi-omics reveals the impact of ruminal keystone bacteria and microbial metabolites on average daily gain in Xuzhou cattle.

Microbiology spectrum
UNLABELLED: The rumen microbiome plays a crucial role in determining the metabolic and digestive efficiency of livestock. Despite its crucial role, the impact of the rumen microbiome on average daily gain (ADG) in Xuzhou cattle remains underexplored....