Related Experiment Video
Updated: Feb 15, 2026

Chemical Analysis of Water-accommodated Fractions of Crude Oil Spills Using TIMS-FT-ICR MS
Published on: March 3, 2017
Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking
Edina H Avdović1, Dejan Milenković2, Jasmina M Dimitrić Marković3
1University of Kragujevac, Faculty of Science, Department of Chemistry, Radoja Domanovića 12, 34000 Kragujevac, Serbia.
Abstract:
The experimental and theoretical investigations of structure of the 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione were performed. X-ray structure analysis and spectroscopic methods (FTIR and FT-Raman, 1H and 13C NMR), along with the density functional theory calculations (B3LYP functional with empirical dispersion corrections D3BJ in combination with the 6-311 + G(d,p) basis set), were used in order to characterize the molecular structure and spectroscopic behavior of the investigated coumarin derivative. Molecular docking analysis was carried out to identify the potency of inhibition of the title molecule against human's Ubiquinol-Cytochrome C Reductase Binding Protein (UQCRB) and Methylenetetrahydrofolate reductase (MTHFR). The inhibition activity was obtained for ten conformations of ligand inside the proteins.
More Related Videos
11:05High-definition Fourier Transform Infrared FT-IR Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology
Published on: January 21, 2015
08:13A Filter-based Surface Enhanced Raman Spectroscopic Assay for Rapid Detection of Chemical Contaminants
Published on: February 19, 2016
Related Concept Videos
Quantum Numbers
Proton (¹H) NMR: Chemical Shift
Absorption signals of all the protium nuclei...
NMR Spectroscopy: Chemical Shift Overview
For instance, the proton...
Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)
Chemical Formulas