Unveiling the Power of Computational Tools in Chiral Liquid Chromatography

• Type: Another Publication in an International Scientific Journal
• Date: 2025

Authors

Lima, R (Author) Other; Neves, RPP (Author) FCUP; Pedro A Fernandes (Author) FCUP; Silva, AMS (Author) Other; Carla Fernandes (Author) FFUP

Journal

Title: Molecules

Vol. 30

Final page: 3218

ISSN: 1420-3049

Publisher: MDPI

Indexing

ISI Web of Knowledge - 0 Citations

Scopus - 0 Citations

Other information

Authenticus ID: P-019-VF3

DOI: 10.3390/molecules30153218

Abstract (EN): Chiral liquid chromatography (cLC) using chiral stationary phases (CSPs) has become a crucial technique for separating enantiomers. Understanding enantiomeric discrimination is essential for improving chromatographic conditions and elucidating chiral molecular recognition; the computational methods are extremely helpful for this. To assess the relevance of the association of these two approaches and to analyze the current trends, in this review, a systematic analysis of the scientific literature was performed, covering recently published works (from 2015 to January 2025) on enantioseparation by cLC using CSPs and computational studies. CSPs based on polysaccharides and Pirkle-type were the most described (accounting for 52% and 14% of the studies, respectively). Regarding the computational methods, molecular docking and molecular dynamics (MD) were the most reported (accounting for 50% and 25% of the studies, respectively). In the articles surveyed, a significant growth in research concerning both cLC enantioseparation and computational studies is evident, emphasizing the benefit of the synergy between these two approaches.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 32