The market of chiral drugs: Chiral switches versus de novo enantiomerically pure compounds
A Calcaterra, I D'Acquarica - Journal of pharmaceutical and biomedical …, 2018 - Elsevier
This review article is aimed at providing an overview of the current market of chiral drugs by
exploring which is the nowadays tendency, for the pharmaceutical industry, either to exploit …
exploring which is the nowadays tendency, for the pharmaceutical industry, either to exploit …
Vibrational optical activity for structural characterization of natural products
PL Polavarapu, E Santoro - Natural Product Reports, 2020 - pubs.rsc.org
Covering: 2015 to up to 2019 This review presents the recent progress towards elucidating
the structures of chiral natural products and applications using vibrational optical activity …
the structures of chiral natural products and applications using vibrational optical activity …
Computational prediction of chemical reactions: current status and outlook
Highlights•Reaction knowledge mining is going “Big Data”.•Tools for computer-assisted
reaction predictions are thoroughly reviewed.•The latest development in using quantum and …
reaction predictions are thoroughly reviewed.•The latest development in using quantum and …
Absolute configurations of synthetic molecular scaffolds from vibrational CD spectroscopy
C Merten, TP Golub, NM Kreienborg - The Journal of organic …, 2019 - ACS Publications
Vibrational circular dichroism (VCD) spectroscopy is one of the most powerful techniques for
the determination of absolute configurations (AC), as it does not require any specific UV/vis …
the determination of absolute configurations (AC), as it does not require any specific UV/vis …
Aiming at an accurate prediction of vibrational and electronic spectra for medium‐to‐large molecules: An overview
In this tutorial review, we present some effective methodologies available for the simulation
of vibrational and vibrationally resolved electronic spectra of medium‐to‐large molecules …
of vibrational and vibrationally resolved electronic spectra of medium‐to‐large molecules …
Structure of condensed phase peptides: Insights from vibrational circular dichroism and Raman optical activity techniques
TA Keiderling - Chemical reviews, 2020 - ACS Publications
Peptides and proteins are naturally chiral molecular systems so that sensing their structure
and conformation with chirality-based spectral methods is an obvious and long-used …
and conformation with chirality-based spectral methods is an obvious and long-used …
Recent advances in the use of vibrational chiroptical spectroscopic methods for stereochemical characterization of natural products
Covering: 2000 to 2014 This review covers conformational and configurational assignments
in natural product molecules using chiroptical spectroscopy reported over the last 15 years …
in natural product molecules using chiroptical spectroscopy reported over the last 15 years …
[图书][B] Chiroptical spectroscopy: fundamentals and applications
PL Polavarapu - 2016 - taylorfrancis.com
This book details chiroptical spectroscopic methods: electronic circular dichroism (ECD),
optical rotatory dispersion (ORD), vibrational circular dichroism (VCD), and vibrational …
optical rotatory dispersion (ORD), vibrational circular dichroism (VCD), and vibrational …
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems
T Giovannini, C Cappelli - Chemical Communications, 2023 - pubs.rsc.org
Molecular spectral signals can be significantly altered by solvent effects. Among the many
theoretical approaches to this problem, continuum and atomistic solvation models have …
theoretical approaches to this problem, continuum and atomistic solvation models have …
Anharmonic effects on vibrational spectra intensities: infrared, Raman, vibrational circular dichroism, and Raman optical activity
The aim of this paper is 2-fold. First, we want to report the extension of our virtual
multifrequency spectrometer (VMS) to anharmonic intensities for Raman optical activity …
multifrequency spectrometer (VMS) to anharmonic intensities for Raman optical activity …