Advances in ultra-high-resolution mass spectrometry for pharmaceutical analysis

E Deschamps, V Calabrese, I Schmitz, M Hubert-Roux… - Molecules, 2023 - mdpi.com
Pharmaceutical analysis refers to an area of analytical chemistry that deals with active
compounds either by themselves (drug substance) or when formulated with excipients (drug …

Current status of quantum chemical studies of cyclodextrin host–guest complexes

AH Mazurek, Ł Szeleszczuk - Molecules, 2022 - mdpi.com
This article aims to review the application of various quantum chemical methods (semi-
empirical, density functional theory (DFT), second order Møller–Plesset perturbation theory …

Noncovalent complexes of cyclodextrin with small organic molecules: applications and insights into host–guest interactions in the gas phase and condensed phase

J Lee, SS Lee, S Lee, HB Oh - Molecules, 2020 - mdpi.com
Cyclodextrins (CDs) have drawn a lot of attention from the scientific communities as a model
system for host–guest chemistry and also due to its variety of applications in the …

The chirality determination of amino acids by forming complexes with cyclodextrins and metal ions using ion mobility spectrometry, and a DFT calculation

S Yang, L Gu, F Wu, X Dai, F Xu, Q Li, X Fang, S Yu… - Talanta, 2022 - Elsevier
Chiral recognition is of highly interest in the areas of chemistry, pharmaceuticals, and
bioscience. An effective strategy of enantiomeric determination of amino acids (AAs) was …

Chiral mass spectrometry: An overview

DQ Han, ZP Yao - TrAC Trends in Analytical Chemistry, 2020 - Elsevier
Chiral analysis by mass spectrometry has attracted much attention due to its advantages in
speed, sensitivity and specificity. In this review, recent advances in chiral analysis by mass …

Probing topology of supramolecular complexes between cyclodextrins and alkali metals by ion mobility-mass spectrometry

C Przybylski, V Bonnet - Carbohydrate Polymers, 2022 - Elsevier
In this study, the size and shape of supramolecular assemblies between cyclo-
oligosaccharides and proton, ammonium or a series of alkali metals by electrospray coupled …

Unveiling host–guest–solvent interactions in solution by identifying highly unstable host–guest configurations in thermal non-equilibrium gas phase

H Choi, YH Oh, S Park, SS Lee, HB Oh, S Lee - Scientific Reports, 2022 - nature.com
We propose a novel scheme of examining the host–guest–solvent interactions in solution
from their gas phase structures. By adopting the permethylated β-cyclodextrin (perm β-CD) …

Distinguishing gas phase lactose and lactulose complexed with sodiated l-arginine by IRMPD spectroscopy and DFT calculations

M Kou, YH Oh, S Lee, X Kong - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
We present the origin of the observed differentiation of lactose and lactulose achieved by
complexation with sodiated L-arginine (ArgNa+). We find that the infrared multiphoton …

Chiral discrimination between tyrosine and β-cyclodextrin revealed by cryogenic ion trap infrared spectroscopy

K Hirata, Y Mori, S Ishiuchi, M Fujii… - Physical Chemistry …, 2020 - pubs.rsc.org
Complexes of permethylated β-cyclodextrin (β-MCD) with the two enantiomers of protonated
tyrosine (L-and D-TyrH+) are studied by cryogenic ion trap infrared photo-dissociation …

Application of infrared multiple photon dissociation (IRMPD) spectroscopy in chiral analysis

Y Shi, M Du, J Ren, K Zhang, Y Xu, X Kong - Molecules, 2020 - mdpi.com
In recent years, methods based on photodissociation in the gas phase have become
powerful means in the field of chiral analysis. Among them, infrared multiple photon …