Mass spectrometry-based techniques to elucidate the sugar code

M Grabarics, M Lettow, C Kirschbaum, K Greis… - Chemical …, 2021 - ACS Publications
Cells encode information in the sequence of biopolymers, such as nucleic acids, proteins,
and glycans. Although glycans are essential to all living organisms, surprisingly little is …

Ion mobility mass spectrometry in the omics era: Challenges and opportunities for metabolomics and lipidomics

G Paglia, AJ Smith, G Astarita - Mass Spectrometry Reviews, 2022 - Wiley Online Library
Researchers worldwide are taking advantage of novel, commercially available,
technologies, such as ion mobility mass spectrometry (IM‐MS), for metabolomics and …

Uncovering PFAS and other xenobiotics in the dark metabolome using ion mobility spectrometry, mass defect analysis, and machine learning

MK Foster, M Rainey, C Watson… - … science & technology, 2022 - ACS Publications
The identification of xenobiotics in nontargeted metabolomic analyses is a vital step in
understanding human exposure. Xenobiotic metabolism, transformation, excretion, and …

Breaking down structural diversity for comprehensive prediction of ion-neutral collision cross sections

DH Ross, JH Cho, L Xu - Analytical chemistry, 2020 - ACS Publications
Identification of unknowns is a bottleneck for large-scale untargeted analyses like
metabolomics or drug metabolite identification. Ion mobility-mass spectrometry (IM-MS) …

ISiCLE: a quantum chemistry pipeline for establishing in silico collision cross section libraries

SM Colby, DG Thomas, JR Nuñez, DJ Baxter… - Analytical …, 2019 - ACS Publications
High-throughput, comprehensive, and confident identifications of metabolites and other
chemicals in biological and environmental samples will revolutionize our understanding of …

Collision cross section prediction based on machine learning

X Li, H Wang, M Jiang, M Ding, X Xu, B Xu, Y Zou, Y Yu… - Molecules, 2023 - mdpi.com
Ion mobility-mass spectrometry (IM-MS) is a powerful separation technique providing an
additional dimension of separation to support the enhanced separation and characterization …

Determination of drugs and drug metabolites by ion mobility-mass spectrometry: A review

DH Ross, L Xu - Analytica Chimica Acta, 2021 - Elsevier
Ion mobility-mass spectrometry (IM-MS) has gained increased applications in the
characterization and identification of drugs and drug metabolites, largely owning to the …

Computational insights into compaction of gas-phase protein and protein complex ions in native ion mobility-mass spectrometry

AD Rolland, JS Prell - TrAC Trends in Analytical Chemistry, 2019 - Elsevier
Native ion mobility-mass spectrometry (IM-MS) is a rapidly growing field for studying the
composition and structure of biomolecules and biomolecular complexes using gas-phase …

A parallelized molecular collision cross section package with optimized accuracy and efficiency

C Ieritano, J Crouse, JL Campbell, WS Hopkins - Analyst, 2019 - pubs.rsc.org
Ion mobility-based separation prior to mass spectrometry has become an invaluable tool in
the structural elucidation of gas-phase ions and in the characterization of complex mixtures …

Structural studies of supramolecular complexes and assemblies by ion mobility mass spectrometry

MM Zimnicka - Mass Spectrometry Reviews, 2024 - Wiley Online Library
Recent advances in instrumentation and development of computational strategies for ion
mobility mass spectrometry (IM‐MS) studies have contributed to an extensive growth in the …