Ion mobility mass spectrometry (IM-MS) for structural biology: insights gained by measuring mass, charge, and collision cross section

E Christofi, P Barran - Chemical Reviews, 2023 - ACS Publications
The investigation of macromolecular biomolecules with ion mobility mass spectrometry (IM-
MS) techniques has provided substantial insights into the field of structural biology over the …

Software tools and approaches for compound identification of LC-MS/MS data in metabolomics

I Blaženović, T Kind, J Ji, O Fiehn - Metabolites, 2018 - mdpi.com
The annotation of small molecules remains a major challenge in untargeted mass
spectrometry-based metabolomics. We here critically discuss structured elucidation …

Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics

Z Zhou, M Luo, X Chen, Y Yin, X **ong, R Wang… - Nature …, 2020 - nature.com
The metabolome includes not just known but also unknown metabolites; however,
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …

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 …

Defining the scope of exposome studies and research needs from a multidisciplinary perspective

P Zhang, C Carlsten, R Chaleckis… - … science & technology …, 2021 - ACS Publications
The concept of the exposome was introduced over 15 years ago to reflect the important role
that the environment exerts on health and disease. While originally viewed as a call-to-arms …

Collision cross section compendium to annotate and predict multi-omic compound identities

JA Picache, BS Rose, A Balinski, KL Leaptrot… - Chemical …, 2019 - pubs.rsc.org
Ion mobility mass spectrometry (IM-MS) expands the analyte coverage of existing multi-omic
workflows by providing an additional separation dimension as well as a parameter for …

High-end ion mobility mass spectrometry: A current review of analytical capacity in omics applications and structural investigations

DG Delafield, G Lu, CJ Kaminsky, L Li - TrAC Trends in Analytical …, 2022 - Elsevier
Mass spectrometry-based biomolecular analyses have become permanent fixtures of
academic, industrial, and clinical research settings. The rise in utilization of mass …

The critical role that spectral libraries play in capturing the metabolomics community knowledge

W Bittremieux, M Wang, PC Dorrestein - Metabolomics, 2022 - Springer
Background Spectral library searching is currently the most common approach for
compound annotation in untargeted metabolomics. Spectral libraries applicable to liquid …

Toward healthcare diagnoses by machine-learning-enabled volatile organic compound identification

J Zhu, Z Ren, C Lee - ACS nano, 2020 - ACS Publications
As a natural monitor of health conditions for human beings, volatile organic compounds
(VOCs) act as significant biomarkers for healthcare monitoring and early stage diagnosis of …

Advanced analytical and informatic strategies for metabolite annotation in untargeted metabolomics

Y Cai, Z Zhou, ZJ Zhu - TrAC Trends in Analytical Chemistry, 2023 - Elsevier
Liquid chromatography–mass spectrometry (LC–MS)-based untargeted metabolomics is
constantly challenged by large-scale and unambiguous metabolite annotation in complex …