[HTML][HTML] Advances in decomposing complex metabolite mixtures using substructure-and network-based computational metabolomics approaches

MA Beniddir, KB Kang, G Genta-Jouve, F Huber… - Natural product …, 2021 - pubs.rsc.org
Covering: up to the end of 2020 Recently introduced computational metabolome mining
tools have started to positively impact the chemical and biological interpretation of …

[HTML][HTML] Emerging targetome and signalome landscape of gut microbial metabolites

X Zheng, X Cai, H Hao - Cell metabolism, 2022 - cell.com
The gut microbiome produces chemically diverse small molecules to interact with the host,
conveying signals from the gut to the whole system. The microbial metabolites feature …

[HTML][HTML] Highly accurate and large-scale collision cross sections prediction with graph neural networks

R Guo, Y Zhang, Y Liao, Q Yang, T Xie, X Fan… - Communications …, 2023 - nature.com
The collision cross section (CCS) values derived from ion mobility spectrometry can be used
to improve the accuracy of compound identification. Here, we have developed the Structure …

[HTML][HTML] Butyrate suppresses the proliferation of colorectal cancer cells via targeting pyruvate kinase M2 and metabolic reprogramming

Q Li, L Cao, Y Tian, P Zhang, C Ding, W Lu… - Molecular & Cellular …, 2018 - ASBMB
Butyrate is a short chain fatty acid present in a high concentration in the gut lumen. It has
been well documented that butyrate, by serving as an energetic metabolite, promotes the …

Mesophilic and thermophilic anaerobic digestion of aqueous phase generated from hydrothermal liquefaction of cornstalk: Molecular and metabolic insights

H Chen, S Hao, Z Chen, O Sompong, J Fan, J Clark… - Water research, 2020 - Elsevier
The critical challenge of hydrothermal liquefaction (HTL) for bio-oil production from biomass
is the production of large amounts of aqueous products (HTL-AP) with high organic contents …

Global profiling combined with predicted metabolites screening for discovery of natural compounds: Characterization of ginsenosides in the leaves of Panax …

C Yao, H Pan, H Wang, S Yao, W Yang, J Hou… - … of Chromatography A, 2018 - Elsevier
Liquid chromatography-mass spectrometry (LC–MS) guided isolation is a favored strategy to
quickly and efficiently explore the chemical diversity of herbal medicines. In this study, two …

Deep MS/MS-aided structural-similarity scoring for unknown metabolite identification

H Ji, Y Xu, H Lu, Z Zhang - Analytical chemistry, 2019 - ACS Publications
Tandem mass spectrometry (MS/MS) is the workhorse for structural annotation of
metabolites, because it can provide abundance of structural information. Currently …

Application of metabolomics for unveiling the therapeutic role of traditional Chinese medicine in metabolic diseases

G Wu, W Zhang, H Li - Journal of Ethnopharmacology, 2019 - Elsevier
Ethnopharmacological relevance Traditional medicine has been practiced for thousands of
years in China and some Asian countries. Traditional Chinese Medicine (TCM) is …

Strategy for comprehensive identification of acylcarnitines based on liquid chromatography–high-resolution mass spectrometry

D Yu, L Zhou, Q Xuan, L Wang, X Zhao, X Lu… - Analytical …, 2018 - ACS Publications
Carnitines play important roles in fatty acid oxidation and branched chain amino acid
metabolism. The disturbance of acylcarnitines is associated with occurrence and …

Expanding the scope of targeted metabolomics by one-pot microscale synthesis and tailored metabolite profiling: Investigation of bile acid–amino acid conjugates

Y Zhang, Y Huang, J Fan, M Zhang, A Hasan… - Analytical …, 2022 - ACS Publications
Accurate metabolite characterization plays a vital role in targeted metabolomics.
Nonetheless, the library of metabolites is still limited, especially for downstream conjugates …