The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution

2021 ◽  
Author(s):  
Sascha Jähnigen ◽  
Daniel Sebastiani ◽  
Rodolphe Vuilleumier
Keyword(s):  
Lactic Acid ◽  
Circular Dichroism ◽  
Computational Study ◽  
Bulk Water ◽  
Vibrational Circular Dichroism ◽  
Ab Initio Molecular Dynamics ◽  
Non Covalent Interactions ◽  
Circular Dichroïsm ◽  
Covalent Interactions

We present a computational study of vibrational circular dichroism (VCD) in solutions of (S)-lactic acid, relying on ab initio molecular dynamics (AIMD) and full solvation with bulk water. We discuss...

Aggregation of lactic acid in cold rare-gas matrices and the link to solution: a matrix isolation-vibrational circular dichroism study

2019 ◽  
Vol 21 (7) ◽  
pp. 3574-3584 ◽  
Author(s):  
Angelo Shehan Perera ◽  
Joseph Cheramy ◽  
Mohammad Reza Poopari ◽  
Yunjie Xu
Keyword(s):  
Lactic Acid ◽  
Circular Dichroism ◽  
Matrix Isolation ◽  
Vibrational Circular Dichroism ◽  
Rare Gas ◽  
Spectral Features ◽  
Circular Dichroïsm ◽  
Self Aggregation ◽  
Insight Into

Crucial insight into lactic acid self-aggregation in solution is obtained by following its unique VCD spectral features in cold matrices.

The chiral structure of 1H-indazoles in the solid state: a crystallographic, vibrational circular dichroism and computational study

2012 ◽  
Vol 36 (3) ◽  
pp. 749 ◽  
Author(s):  
J. J. L. González ◽  
F. P. Ureña ◽  
J. R. A. Moreno ◽  
I. Mata ◽  
E. Molins ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Solid State ◽  
Computational Study ◽  
Vibrational Circular Dichroism ◽  
Chiral Structure ◽  
Circular Dichroïsm

Chiral self-assembly of enantiomerically pure (4S,7R)-campho[2,3-c]pyrazole in the solid state: a vibrational circular dichroism (VCD) and computational study

2014 ◽  
Vol 25 (6-7) ◽  
pp. 507-515 ◽  
Author(s):  
María Mar Quesada-Moreno ◽  
Juan Ramón Avilés-Moreno ◽  
Juan Jesús López-González ◽  
Rosa María Claramunt ◽  
Concepción López ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Solid State ◽  
Self Assembly ◽  
Computational Study ◽  
Vibrational Circular Dichroism ◽  
Enantiomerically Pure ◽  
Circular Dichroïsm

Vibrational circular dichroism of tetraphenylporphyrin in peptide complexes? A computational study

Chirality ◽  
2000 ◽  
Vol 12 (4) ◽  
pp. 191-198 ◽  
Author(s):  
Petr Bou? ◽  
Kamil Z�ruba ◽  
Marie Urbanov� ◽  
Vladim�r Setni?ka ◽  
Pavel Mat?jka ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Computational Study ◽  
Vibrational Circular Dichroism ◽  
Peptide Complexes ◽  
Circular Dichroïsm
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