Metabolomics as a critical tool for deeper understanding of pickled foods: From biomarker discovery to nutrition function
C Di, W Jia - Trends in Food Science & Technology, 2024 - Elsevier
Background Pickling, as an ancient culinary technique (predate to 2400 BCE), protected
food in brine and/or sugar, which caused metabolites to undergo a series of chemical …
food in brine and/or sugar, which caused metabolites to undergo a series of chemical …
Evaluating machine learning methods of analyzing multiclass metabolomics
Y Gong, W Ding, P Wang, Q Wu, X Yao… - Journal of Chemical …, 2023 - ACS Publications
Multiclass metabolomic studies have become popular for revealing the differences in
multiple stages of complex diseases, various lifestyles, or the effects of specific treatments. In …
multiple stages of complex diseases, various lifestyles, or the effects of specific treatments. In …
AllCCS2: Curation of ion mobility collision cross-section atlas for small molecules using comprehensive molecular representations
H Zhang, M Luo, H Wang, F Ren, Y Yin… - Analytical …, 2023 - ACS Publications
The development of ion mobility–mass spectrometry (IM–MS) has revolutionized the
analysis of small molecules, such as metabolomics, lipidomics, and exposome studies. The …
analysis of small molecules, such as metabolomics, lipidomics, and exposome studies. The …
The changing metabolic landscape of bile acids–keys to metabolism and immune regulation
Bile acids regulate nutrient absorption and mitochondrial function, they establish and
maintain gut microbial community composition and mediate inflammation, and they serve as …
maintain gut microbial community composition and mediate inflammation, and they serve as …
Mobility‐Modulated Sequential Dissociation Analysis Enables Structural Lipidomics in Mass Spectrometry Imaging
Y Qian, X Guo, Y Wang, Z Ouyang… - Angewandte Chemie …, 2023 - Wiley Online Library
Spatial lipidomics based on mass spectrometry imaging (MSI) is a powerful tool for
fundamental biology studies and biomarker discovery. But the structure‐resolving capability …
fundamental biology studies and biomarker discovery. But the structure‐resolving capability …
Collision cross section measurement and prediction methods in omics
KY Kartowikromo, OE Olajide… - Journal of mass …, 2023 - Wiley Online Library
Omics studies such as metabolomics, lipidomics, and proteomics have become important for
understanding the mechanisms in living organisms. However, the compounds detected are …
understanding the mechanisms in living organisms. However, the compounds detected are …
Computational tools and algorithms for ion mobility spectrometry‐mass spectrometry
Ion mobility spectrometry‐mass spectrometry (IMS‐MS or IM‐MS) is a powerful analytical
technique that combines the gas‐phase separation capabilities of IM with the identification …
technique that combines the gas‐phase separation capabilities of IM with the identification …
Predicting Collision Cross-Section Values for Small Molecules through Chemical Class-Based Multimodal Graph Attention Network
Libraries of collision cross-section (CCS) values have the potential to facilitate compound
identification in metabolomics. Although computational methods provide an opportunity to …
identification in metabolomics. Although computational methods provide an opportunity to …
Serum untargeted lipidomic characterization in a general Chinese cohort with residual per-/polyfluoroalkyl substances by liquid chromatography-drift tube ion mobility …
T Zeng, X Chen, M van de Lavoir, R Robeyns… - Science of The Total …, 2024 - Elsevier
Per-and polyfluoroalkyl substances (PFAS) remain controversial due to their high
persistency and potential human toxicity. Although occupational exposure to PFAS has been …
persistency and potential human toxicity. Although occupational exposure to PFAS has been …
CCSfind: A tool for chemically informed LC‐IM‐MS database building
S Kumari, T Causon - Journal of Mass Spectrometry, 2024 - Wiley Online Library
In addition to providing critical knowledge of the accurate mass of ions, ion mobility‐mass
spectrometry (IM‐MS) delivers complementary data relating to the conformation and size of …
spectrometry (IM‐MS) delivers complementary data relating to the conformation and size of …