neuroserpin, a member of the serine proteinase inhibitor (serpin) superfamily, is known to be a neuroprotective factor in the focal ischemic stroke followed by reducing the microglial activation. neuroserpin is a protein rich of methionine residues that can scavenge the free radical species which may increase its neuroprotective effect. on the other hand, the oxidative modifications of the amin...

introduction: congenital long qt syndrome (lqts) is a cardiac disorder characterized by qt interval prolongation at basal ecg. different lqts genes encode ion channel subunits or proteins involved in regulating cardiac ionic currents. long qt syndrome type 6 (lqt6) is caused by mutation in the kcne2 gene. our research aimed to analyze genetic variants of kcne2 gene causing the disease in irania...

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...

The hybrid density functional theory (B3LYP) and ab initio molecular orbital (HF) based methods and Natural Bond Orbital (NBO) interpretation were used to analyze the conformational behaviors of 2,5,5-trimethyl-1,3,2-dioxaphosphinane 2-selenide (compound 1), 2,5,5-trimethyl-1,3,2-dithiaphosphinane 2-selenide (compound 2) and 2,5,5-trimethyl-1,3,2-diselena phosp...

the conformational behavior of monosubstituted tri-methylsilyle ethynyl derivative of cal ix[4]arene as a newgeneration of caliarene was compared with tetra alkylated calyx[4]arene. the most important conformationalphenomena in these compounds which are pinched cone interconversion process were done by semi-empiricalmethod and ab initio calculations with gaussian 98w programming.

estimation of protein stability is important for many reasons: first providing an understanding of the basic thermodynamics of the process of folding, protein engineering, and protein stability plays important role in biotechnology especially in food and protein drug design. today, proteins are used in many branches, including industrial processes, pharmaceutical industry, and medical fields. a...

liquid protein formulations are prone to form aggregates. the effect of nonionic surfactants such as polysorbate 20 (ps 20) and n-dodecyl β-d-maltoside (ddm) on the prevention of aggregation and conformational changes of recombinant human ifnβ-1b (rhifn β_1b) was explored. polysorbate has been used in formulations of protein pharmaceuticals. there have been concerns about using ps 20 due to its...

Conformational analysis of the experimentally recorded IR absorption spectra propanol in a gaseous state and low-temperature argon matrix at 20 K 35 was carried out for different spectral ranges. It showed that conformational composition samples gas isolation is different. In propanol, Gt conformers predominate, while most energetically favorable form Tg conformer, which prevails percentage bot...