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 …

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 …

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 …

The changing metabolic landscape of bile acids–keys to metabolism and immune regulation

I Mohanty, C Allaband, H Mannochio-Russo… - Nature reviews …, 2024 - nature.com
Bile acids regulate nutrient absorption and mitochondrial function, they establish and
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 …

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 …

Computational tools and algorithms for ion mobility spectrometry‐mass spectrometry

DH Ross, H Bhotika, X Zheng, RD Smith… - …, 2024 - Wiley Online Library
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 …

Predicting Collision Cross-Section Values for Small Molecules through Chemical Class-Based Multimodal Graph Attention Network

C Wang, C Yuan, Y Wang, Y Shi… - Journal of Chemical …, 2024 - ACS Publications
Libraries of collision cross-section (CCS) values have the potential to facilitate compound
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 …

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 …