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 …

[HTML][HTML] 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 …

Investigating the potential of drift tube ion mobility for the analysis of oxidized lipids

KM da Silva, M Wölk, P Nepachalovich… - Analytical …, 2023 - ACS Publications
Epilipids, a subset of the lipidome that comprises oxidized, nitrated, and halogenated lipid
species, show important biochemical activity in the regulation of redox lipid metabolism by …

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 …

MOCCal: A multiomic CCS calibrator for traveling wave ion mobility mass spectrometry

HM Hynds, KM Hines - Analytical Chemistry, 2024 - ACS Publications
Ion mobility mass spectrometry (IM-MS) is a rapid, gas-phase separation technology that can
resolve ions on the basis of their size-to-charge and mass-to-charge ratios. Since each class …

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 …

Application of ion mobility spectrometry and the derived collision cross section in the analysis of environmental organic micropollutants

XC Song, E Canellas, N Dreolin… - Environmental …, 2023 - ACS Publications
Ion mobility spectrometry (IMS) is a rapid gas-phase separation technique, which can
distinguish ions on the basis of their size, shape, and charge. The IMS-derived collision …

Recent Developments in Machine Learning for Mass Spectrometry

AG Beck, M Muhoberac, CE Randolph… - ACS Measurement …, 2024 - ACS Publications
Statistical analysis and modeling of mass spectrometry (MS) data have a long and rich
history with several modern MS-based applications using statistical and chemometric …

HILIC-IM-MS for Simultaneous Lipid and Metabolite Profiling of Bacteria

JM Carpenter, HM Hynds, K Bimpeh… - ACS Measurement …, 2023 - ACS Publications
Although MALDI-ToF platforms for microbial identifications have found great success in
clinical microbiology, the sole use of protein fingerprints for the discrimination of closely …

Array-Based Machine Learning for Functional Group Detection in Electron Ionization Mass Spectrometry

NM North, AA Enders, ML Cable, HC Allen - ACS omega, 2023 - ACS Publications
Mass spectrometry is a ubiquitous technique capable of complex chemical analysis. The
fragmentation patterns that appear in mass spectrometry are an excellent target for artificial …