the surface parameter of nanoparticles such as hydrophobicity and a hydrophilicity on protein structure and function is very important. in this study, conformational changes of glucose oxidase (gox) in the mercaptopurine: gnps and 11-mercaptoundecanoic acid: gnps as a hydrophobic and a hydrophilic gnps surface was investigated by various spectroscopic techniques, including: uv-vis absorption, f...

background : the aim of this study was to generate in silico 3d-structure of the envelope protein of ahfv using homology modeling method to further predict its conformational epitopes and help other studies to investigate its structural features using the model. methods : a 3d-structure prediction was developed for the envelope protein of alkhumra haemorrhagic fever virus (ahfv), an emerging ti...

tetrahydrobenzo[b]pyran derivatives 1 were utilized for the synthesis of several new pyrano[2,3-d]pyrimidine derivatives 2. compound 2 was obtained in the presence of ac2o/h2so4 (as a catalyst) and was confirmed by spectroscopic data such as ir, 1h nmr and 13c nmr. ab initio calculation was carried out to study geometric optimization, thermodynamic parameters, aromaticity and dynamic process of...

Conformations of noradrenaline, dopamine and ephedrine have been studied in aqueous solutions using high resolution PMR spectroscopy. We found that for dopamine the mole fraction of trans rotamer is increased if pH is changed from acidic to basic while for noradrenaline and ephedrine the opposite trend is observed: gauche rotamer forms of the side chain become more populated. These changes are ...

The structure of porcine thyrocalcitonin has been evaluated by circular dichroism, optical rotatory dispersion, infrared spectroscopy, and fluorescence. The degree of helical structure was estimated by circular dichroism (222 mp) and optical rotatory dispersion (233 mp) at the n + r* transition of the Q: helix. The optical activity at this transition suggests that thyrocalcitonin contains appro...

in this research, we report the results of dft calculations using xc-hybrid functional, b3lyp and employ nbo interpretation to investigate the stereoelectronic effects. electrostatic and steric impacts on the conformational properties of 1,2-difluorodiazene (1), 1,2-dichlorodiazene (2) and 1,2-dibromodiazene (3) are also studied. factors determining the thermodynamically stable molecular struct...