به کمک شبیه ­سازی دینامیک مولکولی می ­توان تحلیل کوتاه مدت در مقیاس زمانی چند ده پیکوثانیه ­ای را برای مواد آسیب دیده­ی تابشی مورد مطالعه قرار داد. بر همین مبنا این ­سازی، تعداد تعادلی عیوب نقطه بین ­نشین و تهی ­جای مختصات مکانی آن­ها آهن- آلفا دست آورده شد. سپس با استفاده از نتایج حاصل شده، مونت کارلوی جنبشی شیء منظور بررسی تأثیر بازپخت آلفای انجام نشان دادند که یکنواخت دیده­ ی تنها خوشه جای ب...

Several substituted-benzimidazole 3-(4-{5-Amino-6-fluoro-1-[2'-(1H-tetrazole-5-yl)-biphenyl-4ylmethyl]-1H-benzoimidazol-2-yl}-phenyl) -2-(substituted)thiazolidin-4-one were synthesized by condensation of various steps with various substituted aryl aldehydes reaction. Elemental analysis, IR, 1HNMR and mass spectral data confirmed the structure of the newly synthesized compounds. Synthesized and ...

A series of novel 3, 4-methylenedioxybenzene scaffold incorporated 1,3,5-trisubstituted-2-pyrazoline derivatives was synthesised as potent antitubercular agents via chalcone intermediates by reaction with hydrazines. The structures of the compounds were confirmed by IR, 1HNMR, 13CNMR and mass spectral data. The novel pyrazolines were screened for in vitro antitubercular activity by almar blue d...

Metabonomics and other "omics" fields are essential science in analytical chemistry. Modern analytical instruments such as proton nuclear magnetic resonance ((1)H NMR) can be provided the great quantity of analytical information. In order to assign unknown samples, chemometrics methods recognition build classification model based on experimental data. Firstly some current strategies for regardi...

Schiff's bases are one of the important classes ligands, which obtained by condensation amine and aromatic aldehyde. The metal complexes widely considered because they show excellent biological activities. Such as antimicrobial, antitumor, antibacterial, anti-fungal properties. present studies deal with synthesis characterization base transition synthesized from general formula (ML) M=Co(II) Cu...

Dyes present in the effluent of textile industries are recalcitrant molecules difficult to be degraded biologically. In this study we used Pseudomonas fluorescens to degrade Direct Orange 102 dye. Pseudomonas fluorescens NCIM 2100 was obtained from National Chemical Laboratory, Pune, India, that was adapted to grow on Direct Orange 102. The dye was subjected to degradation by the bacterium and ...

the reaction between trimethylamine with propargyl bromide was studied and the structure of triethyl propargyl ammonium bromide was illustrated by 1hnmr, ir, and mass spectra.