Recognition in the domain of molecular chirality: from noncovalent interactions to separation of enantiomers

P Peluso, B Chankvetadze - Chemical Reviews, 2022 - ACS Publications
It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

Chiral recognition in separation sciences. Part I: Polysaccharide and cyclodextrin selectors

GKE Scriba - TrAC Trends in Analytical Chemistry, 2019 - Elsevier
The stereoselective recognition of chiral molecules is an important aspect in nature as the
basis of the interaction of chiral bioactive compounds with their target structures. In …

Noncovalent interactions in high-performance liquid chromatography enantioseparations on polysaccharide-based chiral selectors

P Peluso, V Mamane, R Dallocchio, A Dessì… - … of Chromatography A, 2020 - Elsevier
Designed more than thirty years ago in order to improve and maximize the discrimination
capability of native polysaccharides, cellulose-and amylose-based selectors have shown …

Modelling approaches for chiral chromatography on polysaccharide-based and macrocyclic antibiotic chiral selectors: A review

P De Gauquier, K Vanommeslaeghe… - Analytica Chimica …, 2022 - Elsevier
An overview of molecular modelling approaches, related to chiral separations on
polysaccharide-based and macrocyclic antibiotic chiral selectors, is presented. Both …

Evidence for and evaluation of fluorine–tellurium chalcogen bonding

R Weiss, E Aubert, L Groslambert, P Pale… - Chemical Science, 2023 - pubs.rsc.org
In the field of noncovalent interactions, chalcogen bonding (ChB) involving the tellurium
atom is currently attracting much attention in supramolecular chemistry and in catalysis …

Molecular dynamics simulations of amylose-and cellulose-based selectors and related enantioseparations in liquid phase chromatography

R Dallocchio, A Dessì, B Sechi, P Peluso - Molecules, 2023 - mdpi.com
In the last few decades, theoretical and technical advancements in computer facilities and
computational techniques have made molecular modeling a useful tool in liquid-phase …

Chiral recognition in separation sciences. Part II: Macrocyclic glycopeptide, donor-acceptor, ion-exchange, ligand-exchange and micellar selectors

GKE Scriba - TrAC Trends in Analytical Chemistry, 2019 - Elsevier
The understanding of the molecular basis of the stereoselective formation of diastereomeric
guest-host complexes for the rationalization of the enantioseparation process in …

Evaluating Halogen-Bond Strength as a Function of Molecular Structure Using Nuclear Magnetic Resonance Spectroscopy and Computational Analysis

QM Dang, JH Simpson, CA Parish… - The Journal of Physical …, 2021 - ACS Publications
Halogen bonding (XB) is a highly directional, non-covalent intermolecular interaction
between a molecule (XB donor) presenting a halogen with an electron-deficient region or …

Computational studies in enantioselective liquid chromatography: forty years of evolution in docking-and molecular dynamics-based simulations

R Sardella, E Camaioni, A Macchiarulo… - TrAC Trends in …, 2020 - Elsevier
A key issue in enantioselective analysis is the determination of the enantiomeric elution
order. To this aim, many computational modeling studies have been published in the last …

Stereoselective processes based on σ-hole interactions

P Peluso, V Mamane - Molecules, 2022 - mdpi.com
The σ-hole interaction represents a noncovalent interaction between atoms with σ-hole (s)
on their surface (such as halogens and chalcogens) and negative sites. Over the last …