4.6 Article

Artificial neural networks to model the enantioresolution of structurally unrelated neutral and basic compounds with cellulose tris(3,5-dimethylphenylcarbamate) chiral stationary phase and aqueous-acetonitrile mobile phases

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Chemistry, Analytical

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

Pieter De Gauquier et al.

Summary: This article presents an overview of molecular modelling approaches for chiral separations on polysaccharide-based and macrocyclic antibiotic chiral selectors. Both atomistic calculations and empirical fitting procedures are discussed. Atomistic calculations, such as docking and molecular dynamics, can provide insights into the chiral recognition mechanism by modeling the interactions between enantiomers and the chiral stationary phase. On the other hand, empirical fitting procedures involve mathematical models that are fitted to experimental observations using theoretical molecular descriptors. These models can be used to predict a specific response, such as retention, in chiral separations. The article also discusses different regression models, such as multiple linear regression and partial least squares.

ANALYTICA CHIMICA ACTA (2022)

Article Computer Science, Interdisciplinary Applications

NeuralSens: Sensitivity Analysis of Neural Networks

Jaime Pizarroso et al.

Summary: This article presents NeuralSens, a package for sensitivity analysis of neural networks. It calculates the partial derivatives and provides functions for plotting the analysis results.

JOURNAL OF STATISTICAL SOFTWARE (2022)

Article Biochemical Research Methods

Chiral chromatography method screening strategies: Past, present and future

Abhijit Tarafder et al.

Summary: Method screening is a crucial step in chromatographic method development for separating racemates. Various solutions and strategies have been proposed over the years to reduce the time spent on method screening, with some being adopted in practice and others remaining in academic literature. The main objective of this review is to revisit and compile the diverse set of solutions published in the last two decades for evaluating the adequacy of existing screening protocols in laboratories conducting chiral separations.

JOURNAL OF CHROMATOGRAPHY A (2021)

Article Biochemistry & Molecular Biology

Enantioselective HPLC Analysis to Assist the Chemical Exploration of Chiral Imidazolines

Bruno Cerra et al.

MOLECULES (2020)

Article Biochemical Research Methods

Method screening strategies of stereoisomers of compounds with multiple chiral centers and a single chiral center

Jessica Lin et al.

JOURNAL OF CHROMATOGRAPHY A (2020)

Review Chemistry, Analytical

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

Gerhard K. E. Scriba

TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2019)

Article Chemistry, Multidisciplinary

Ultrafast chiral separations for high throughput enantiopurity analysis

Chandan L. Barhate et al.

CHEMICAL COMMUNICATIONS (2017)

Review Chemistry, Multidisciplinary

Efficient Separation of Enantiomers Using Stereoregular Chiral Polymers

Jun Shen et al.

CHEMICAL REVIEWS (2016)

Article Biochemical Research Methods

Modeling the chiral resolution ability of highly sulfated β-cyclodextrin for basic compounds in electrokinetic chromatography

L. Asensi-Bernardi et al.

JOURNAL OF CHROMATOGRAPHY A (2013)

Review Biochemical Research Methods

Chiral Recognition Mechanisms in Analytical Separation Sciences

Gerhard K. E. Scriba

CHROMATOGRAPHIA (2012)

Review Biochemical Research Methods

Recent developments on polysaccharide-based chiral stationary phases for liquid-phase separation of enantiomers

Bezhan Chankvetadze

JOURNAL OF CHROMATOGRAPHY A (2012)

Review Biochemical Research Methods

Chiral recognition by enantioselective liquid chromatography: Mechanisms and modern chiral stationary phases

Michael Laemmerhofer

JOURNAL OF CHROMATOGRAPHY A (2010)

Review Chemistry, Multidisciplinary

Chiral HPLC for efficient resolution of enantiomers

Yoshio Okamoto et al.

CHEMICAL SOCIETY REVIEWS (2008)

Article Biochemical Research Methods

Effect of the solute molecular structure on its enantioresolution on cellulose tris(3,5-dimethylphenylcarbamate)

Rahul B. Kasat et al.

JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES (2008)

Article Biochemical Research Methods

Evaluation of generic chiral liquid chromatography screens for pharmaceutical analysis

ME Anderson et al.

JOURNAL OF CHROMATOGRAPHY A (2003)

Article Biochemical Research Methods

Screening approach for chiral separation of pharmaceuticals Part II. Reversed-phase liquid chromatography

C Perrin et al.

JOURNAL OF CHROMATOGRAPHY A (2002)

Review Biochemical Research Methods

Separation of enantiomers: needs, challenges, perspectives

NM Maier et al.

JOURNAL OF CHROMATOGRAPHY A (2001)