On the chemistry of aqueous ammonium acetate droplets during native electrospray ionization mass spectrometry

L Konermann, Z Liu, Y Haidar, MJ Willans… - Analytical …, 2023 - ACS Publications
Ammonium acetate (NH4Ac) is a widely used solvent additive in native electrospray
ionization (ESI) mass spectrometry. NH4Ac can undergo proton transfer to form ammonia …

Probing Acid-Induced Compaction of Denatured Proteins by High-Pressure Electrospray Mass Spectrometry

Z Han, N Omata, LC Chen - Analytical Chemistry, 2023 - ACS Publications
Further increase in the acidity in the most denaturing acidic solution is known to induce
compaction of the fully unfolded protein into a compact molten globule. The phenomenon of …

Desalting strategies for native mass spectrometry

Y Li, W Li, Y Zheng, T Wang, R Pu, Z Zhang - Talanta, 2024 - Elsevier
In native mass spectrometry (MS) salts are indispensable for preserving the native structures
of biomolecules, but detrimental to mass sensitivity, resolution, and accuracy. Such a conflict …

Molecular Dynamics Simulations of Native Protein Charging via Proton Transfer during Electrospray Ionization with Grotthuss Diffuse H3O+

MS Cordes, ES Gallagher - Analytical Chemistry, 2024 - ACS Publications
Unraveling the mechanism by which native proteins are charged through electrospray
ionization (ESI) has been the focus of considerable research because observable charge …

Molecular Insights into O-Linked Sialoglycans Recognition by the Siglec-Like SLBR-N (SLBRUB10712) of Streptococcus gordonii

C Di Carluccio, L Cerofolini, M Moreira… - ACS Central …, 2024 - ACS Publications
Streptococcus gordonii is a Gram-positive bacterial species that typically colonizes the
human oral cavity, but can also cause local or systemic diseases. Serine-rich repeat (SRR) …

MD Simulations of Peptide-Containing Electrospray Droplets: Effects of Parameter Settings on the Predicted Mechanisms of Gas Phase Ion Formation

K Hanifi, PM Scrosati, L Konermann - The Journal of Physical …, 2024 - ACS Publications
Electrospray ionization (ESI) mass spectrometry is widely used for interrogating peptides,
proteins, and other biomolecular analytes. A growing number of laboratories use molecular …

Modern Electrospray Ionization Mass Spectrometry Techniques for the Characterization of Supramolecules and Coordination Compounds

N Geue - Analytical Chemistry, 2024 - ACS Publications
Mass spectrometry is routinely used for myriad applications in clinical, industrial, and
research laboratories worldwide. Developments in the areas of ionization sources, high …

Inter-Domain Repulsion of Dumbbell-Shaped Calmodulin during Electrospray Ionization Revealed by Molecular Dynamics Simulations

M Luan, Z Hou, B Zhang, L Ma, S Yuan, Y Liu… - Analytical …, 2023 - ACS Publications
The mechanisms whereby protein ions are released from nanodroplets at the liquid–gas
interface have continued to be controversial since electrospray ionization (ESI) mass …

Conformational and Structural Characterization of Knotted Proteins

K Jeanne Dit Fouque, JC Molano-Arevalo, F Leng… - Biochemistry, 2024 - ACS Publications
Knotted proteins are fascinating natural biomolecules whose backbones entangle
themselves in a knot. Their particular knotted configurations provide them with a wide range …

Mobility capillary electrophoresis-native mass spectrometry reveals dynamic conformational equilibrium of calmodulin and its complexes

Y Zhao, W Zhang, J Hong, L Yang, Y Wang, F Qu, W Xu - Analyst, 2024 - pubs.rsc.org
Benefitting from the rapid evolution of artificial intelligence and structural biology, an
expanding collection of high-resolution protein structures has greatly improved our …