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Author

Yu Wang

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Sep 2026

InSitu Untargeted Metabolite Identification and Spatial Mapping by Clustering Resampling Mass Spectrometry Imaging

Mass spectrometry imaging enables the spatially resolved analysis of molecular distributions in biological tissues. However, in situ untargeted metabolite identification remains challenging due to the inherent trade-off between spatial resolution and in situ tandem mass spectrometry (MS2) acquisition. Here, we develo...

Yu Wang, Chao-Ting Shi, Yi-Lin Liu et al. · 0 citations
Sep 2026

Molecular networking-guided isolation of iridoids from Valeriana officinalis with anti-rheumatoid arthritis potential.

A feature-based molecular networking (FBMN)-guided strategy was applied to the targeted chemical investigation of the roots and rhizomes of Valeriana officinalis. This led to the isolation of sixteen iridoids (1-16), including three new compounds (1-3), along with one new monoterpene (17) and one new amide alkaloid (18...

Fan Wu, Wen Gu, Yu Wang et al. · 0 citations
Jul 2026

ClipMol: A Molecular Representation Learning Framework for CCS Prediction via SMILES-InChI Dual-View Chemical Language Alignment.

ClipMol is proposed, a scalable and structurally faithful solution for molecular representation learning and IM-MS-related CCS prediction in analytical chemistry that jointly models local chemical microenvironments and global structural constraints of molecules.

Shengcai Shen, Chaoting Shi, Yu Wang et al. · 0 citations

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