Exploring new frontiers in type 1 diabetes through advanced mass-spectrometry-based molecular measurements
Abstract Type 1 diabetes (T1D) is a devastating autoimmune disease for which advanced
mass spectrometry (MS) methods are increasingly used to identify new biomarkers and …
mass spectrometry (MS) methods are increasingly used to identify new biomarkers and …
Computational tools and algorithms for ion mobility spectrometry‐mass spectrometry
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 …
technique that combines the gas‐phase separation capabilities of IM with the identification …
General method to obtain collision cross-section values in multipass high-resolution cyclic ion mobility separations
In recent years, ion mobility spectrometry-mass spectrometry (IMS-MS) has advanced the
field of omics-based research, especially with the development of high-resolution platforms; …
field of omics-based research, especially with the development of high-resolution platforms; …
Multistage ion mobility spectrometry combined with infrared spectroscopy for glycan analysis
The structural complexity of glycans makes their characterization challenging, not only
because of the presence of various isomeric forms of the precursor molecule but also …
because of the presence of various isomeric forms of the precursor molecule but also …
Accelerating anharmonic spectroscopy simulations via local-mode, multilevel methods
AA Zhanserkeev, EL Yang… - Journal of Chemical Theory …, 2023 - ACS Publications
Ab initio computer simulations of anharmonic vibrational spectra provide nuanced insight
into the vibrational behavior of molecules and complexes. The computational bottleneck in …
into the vibrational behavior of molecules and complexes. The computational bottleneck in …
Recent advances in high‐resolution traveling wave‐based ion mobility separations coupled to mass spectrometry
Recently, ion mobility spectrometry‐mass spectrometry (IMS‐MS) has become more readily
incorporated into various omics‐based workflows. These growing applications are due to …
incorporated into various omics‐based workflows. These growing applications are due to …
Enhancing the depth of analyses with next-generation ion mobility experiments
BP Zercher, TA Gozzo, AC Wageman… - Annual Review of …, 2023 - annualreviews.org
Recent developments in ion mobility (IM) technology have expanded the capability to
separate and characterize gas-phase ions of biomolecules, especially when paired with …
separate and characterize gas-phase ions of biomolecules, especially when paired with …
A first-principles exploration of the conformational space of sodiated di-saccharides assisted by semi-empirical methods and neural network potentials
Previous exploration of the conformational space of sodiated mono-saccharides using a
random search algorithm leads to∼ 103 structurally distinct conformers covering an energy …
random search algorithm leads to∼ 103 structurally distinct conformers covering an energy …
Ion Mobility Mass Spectrometry for Glycomics: Challenges and Opportunities When Met with Artificial Intelligence
Glycans possess complex and unique stereochemical features, endowing them with
distinguishing functions. An urgent need to develop a glycan sequencing method to …
distinguishing functions. An urgent need to develop a glycan sequencing method to …
Combining Liquid Chromatography and Cryogenic IR Spectroscopy in Real Time for the Analysis of Oligosaccharides
AH Abikhodr, S Warnke, A Ben Faleh… - Analytical …, 2024 - ACS Publications
While the combination of liquid chromatography (LC) and mass spectrometry (MS) serves as
a robust approach for oligosaccharide analysis, it has difficulty distinguishing the smallest …
a robust approach for oligosaccharide analysis, it has difficulty distinguishing the smallest …