The conformational stability, solvation and the assignments of the experimental infrared, Raman, (1)H and (13)C NMR spectra of the local anesthetic drug lidocaine.

  title={The conformational stability, solvation and the assignments of the experimental infrared, Raman, (1)H and (13)C NMR spectra of the local anesthetic drug lidocaine.},
  author={Hassan M. Badawi and Wolfgang F{\"o}rner and Shaikh A. Ali},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
11 Citations

The molecular structure and vibrational, (1)H and (13)C NMR spectra of lidocaine hydrochloride monohydrate.

Mechanisms and pharmaceutical consequences of processes of stereoisomerisation - A didactic excursion.

  • B. TestaG. VistoliA. Pedretti
  • Chemistry
    European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
  • 2016

Comprehensive spectral identification of key intermediates to the final product of the chiral pool synthesis of radezolid

The full spectral characteristics of key intermediates obtained from the chiral pool synthesis of radezolid to the finished product of RAD were summarised and compared and good agreement was observed between the empirical and theoretical spectra.

Determination of the Spatial Structure of Lidocaine in SC-CO2 by the 2D NOESY Method

This work presents an analysis of the lidocaine spatial structure in SC-CO2. Two-dimensional nuclear Overhauser effect spectroscopy (2D NOESY) and quantum chemical calculations (DFT) were used to



A comparative study of the infrared and Raman spectra of aniline and o-, m-, p-phenylenediamine isomers.

Analysis of the molecular structure and vibrational spectra of the indole based analgesic drug indomethacin.

  • H. BadawiW. Förner
  • Chemistry
    Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
  • 2014

Theoretical vibrational spectra of cyclohexanecarboxaldehyde

Abstract. Vibrational spectra of cyclohexanecarboxaldehyde are calculated with density functional theory using the B3LYP functional together with a 6-311++G** basis set and presented. The results in

Crystal structure of anti-configuration of indomethacin and leukotriene B4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complex reveals the structural basis of broad spectrum indomethacin efficacy.

Indomethacin shows a broad spectrum of efficacy against lipid-mediator related proteins including cyclooxygenase-2, phospholipase A2, PGF synthase and PGE synthase- 2 but in the syn-configuration as well as LTB4 12HD/PGR in the anti-configurations.

Characterization of multicomponent crystal formed between indomethacin and lidocaine

Crystalline complex was formed between indomethacin (IDM) and lidocaine (LDC) at molar ratio 2:1 from ethanol solution and revealed that a primary interactive force between IDM and LDC molecule was coulomb energy.

Continuous surface charge polarizable continuum models of solvation. I. General formalism.

A continuous surface charge (CSC) approach is introduced that leads to a smooth and robust formalism for the PCM models and achieves a clear separation between "model" and "cavity" which, together with simple generalizations of modern integral codes, is all that is required for an extensible and efficient implementation of thePCM models.

Quantum mechanical continuum solvation models.

This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.

2‐(Diethyl­amino)‐N‐(2,6‐dimethyl­phenyl)acetamide, a low‐temperature redetermination

The title compound, commonly known as lidocaine, C14H22N2O, is a well known drug with local anaesthetic and anti-arrhythmic properties. Its structure has been reported previously, based on data of