Spectroscopic detection of the LiHe molecule.

Structural Analysis of Hirudin Using FT-IR and FT-Raman Spectroscopic Techniques

FT-IR and FT-Raman spectra of hirudin have been recorded from the native solid hirudin. The conformation of the molecule has been discussed on the basis of IR and Raman data. It has been concluded that hirudin molecule has a mixed a-helix and random coil conformation.

Synthesis, spectroscopic (NMR and FT-IR) and theoretical (HF and DFT) investigation of dimethyl (Z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butendioate

Dimethyl (z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butenedioate has been synthesized using one-pot three component reaction between N-isocyaniminotriphenylphosphorane (Ph3PNNC), 3-methylcyclopentene-1,2-dione and dimethyl acetylenedicarboxylate. Also, optimized geometry and nuclear magnetic resonance ( NMR ) of the title compound are evaluated using HF and B3LYP methods and 6-311+G(d) basis s...

Theoretical Approach for Detection of POCl3 Molecule by the Boron Nitride Nanosheet-based Sensing Nanodevices

To detect POCl3 molecule, adsorption phenomena of this molecule on the pure, Al- and Si-doped BN sheet surfaces were investigated via density functional theory (DFT) approach. The most stable adsorption complexes, including POCl3/BN (O-B), POCl3/Al-BN (O-Al), and POCl3/Si-BN (O-Si), were predicted with the adsorption energies of about -8.64, -37.01 and, -62.01 kcal mol-1, respectively. Upon the...

Kernelized Subspace Ranking for Saliency Detection

Spectroscopic Studies on the Interaction of Nano-TiO2 with Lysozyme

In the present study, the interaction between nano-TiO2 and lysozyme was investigated by the method of UV-Vis detection and fluorescence spectroscopic techniques. The thermal denaturation of lysozyme has been investigated in the presence and absence of nano-TiO2 over the temperature range (293-373) K in different buffer and pH, using temperature scanning spectrosc...