The complexity and potency of the illicit opioid supply in North America has become increasingly concerning for people who use drugs. Drug checking efforts aim to keep up with the evolving psychoactive components present in the illicit drug supply. W...
Mass spectrometry (MS)-based proteomics is a disruptive platform in drug discovery that offers an exhaustive view of the proteome's complexity. Focusing on bottom-up MS proteomics, this technology enables high-throughput analysis of protein expressio...
Journal of the American Society for Mass Spectrometry
Dec 21, 2025
Recent advances in ion mobility spectrometry have enabled the measurement of rotationally averaged collisional cross-sectional area (CCS) for millions of peptides as part of routine proteomic mass spectrometry workflows. One of the most striking find...
- Herbal Pair (SEHP) is one of the classic Chinese herbal formulas for treating Alzheimer's disease (AD), but its complex chemical composition renders traditional analytical methods inefficient. Retention time (RT) provides complementary information ...
Metabolite identification is a pivotal step in drug discovery and development, enabling the comprehensive analysis of drug-derived compounds within biological systems. However, the complexity of liquid chromatography-mass spectrometry data often resu...
High-spatial-resolution mass spectrometry imaging (MSI) visualizes molecular distributions in tissues and cells. However, achieving higher spatial resolution typically necessitates smaller pixel dimensions and an increased number of pixels, leading t...
Meningioma, the most prevalent primary intracranial tumor, presents significant clinical challenges due to unclear molecular mechanisms underlying its progression from low-grade (LG) to high-grade (HG) and lack of grade-specific biomarkers. Here, we ...
Machine learning (ML) modeling on mass spectrometry (MS)-based shotgun data facilitates feature selection and disease modeling. However, batch-specific models often struggle with limited transferability and generalizability, necessitating data integr...
Natural products (NPs) are a treasure trove of drug discovery, yet their structural complexity and extreme data scarcity critically hinder AI-driven exploration. To address this challenge, we present MSformer, a transformer-based architecture that br...
Mass spectrometry imaging (MSI) is a powerful multiplexed biochemical imaging modality. It relies on raster scanning for localized data acquisition, which can be time-consuming, limiting applications of high-resolution tissue mapping and 3D reconstru...
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