Abstract
Diphtheria toxin time-resolved absorption and resonance ft-ir and raman biospectroscopy and density functional theory (dft) investigation of vibronic-mode coupling structure in vibrational spectra analysis: a spectroscopic study on an anti-cancer drug
Highlights
Diphtheria toxin is an exotoxin secreted by Corynebacterium diphtheriae, the pathogenic bacterium that causes diphtheria
Analysis of vibrational spectrum of Diphtheria Toxin is performed based on theoretical simulation and FT-IR empirical spectrum and Raman empirical spectrum using density functional theory in levels of HF/6-31G*, HF/6-31++G**, MP2/6-31G, MP2/6-31++G**, BLYP/631G, BLYP/6-31++G**, B3LYP/6-31G and B3LYP6-31-HEG**
Investigation and consideration of vibrational spectrum confirm the formation of dimer cycles in the investigated crystal with carboxyl groups from each Hydrogen molecule of acid protected from adjacent molecules
Summary
Diphtheria toxin is an exotoxin secreted by Corynebacterium diphtheriae, the pathogenic bacterium that causes diphtheria. “Pharmaceutical and Analytical Chemistry Study of Cadmium Oxide (CdO) Nanoparticles Synthesis Methods and Properties as Anti-Cancer Drug and its Effect on Human Cancer Cells”, Pharm Anal Chem Open Access 2: 113, 2016. “A Comparative Computational and Experimental Study on Different Vibrational Biospectroscopy Methods, Techniques and Applications for Human Cancer Cells in Tumor Tissues Simulation, Modeling, Research, Diagnosis and Treatment”, Open J Anal Bioanal Chem 1 [1]: 014-020, 2017.
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