Bahram Ghalami-Choobar

Department of Chemistry, Faculty of Science, University of Guilan, P. O. Box: 19141, Rasht, Iran

[ 1 ] - Determination and Modeling the Activity Coefficients of 1-Propyl-3- methylimidazolium Bromide in the Ethanol + Water Mixtures at T = (298.2, 308.2 and 318.2) K

In this work, the results relating to the mean activity coefficient measurements for ionic liquid of 1- propyl -3 methylimidazolium bromide, [PMIm]Br in ethanol+ water mixtures have been reported using potentiometric measurements at T=( 298.2, 308.2 and 318.2)K. The electromotive force (emf) measurements were performed on the galvanic cell of the type:Br-ISE│[PrMIm] (m) ethanol (wt.%), H2O (1−w...

[ 2 ] - Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors

Human epidermal growth factor receptor 2 (HER2) is a member of the epidermal growth factor receptor family having tyrosine kinase activity. Overexpression of HER2 usually causes malignant transformation of cells and is responsible for the breast cancer. In this work, the virtual screening, molecular docking, quantum mechanics and molecular dynamics methods were employed to study protein–ligand ...

[ 3 ] - Determination and Modeling of Activity Coefficients of Sodium Chloride in (Glycerol + Water) Mixtures Based on Potentiometric Measurements

In this work, the results concerning to the mean activity coefficient measurements for NaCl in the (glycerol + water) system using the potentiometric method are reported. The potentiometric measurements were performed on the galvanic cells without liquid junction of the type: Ag|AgCl|NaCl (m), glycerol (wt%), H2O (1 - wt)%|Na-ISE, in various mixed solvent systems containing 0, 5, 10,...

[ 4 ] - Conductometric and Refractometric Studies of 1-Propyl-3-methylimidazolium Bromide Ionic Liquid in Water + Ethylene Carbonate Mixtures at T = (298.2, 308.2 and 318.2) K

In this work, we determined thermophysical properties such as electrical conductivity and refractive index for 1-propyl-3-methylimidazolium bromide, [PrMIm]Br in ternary mixtures of [PrMIm]Br + ethylene carbonate + water at T = (298.2, 308.2 and 318.2) K and 0.1MPa. Conductometric measurements were carried out for [PrMIm]Br ionic liquid in ethylene carbonate + water solvent mixture in various c...

[ 5 ] - بررسی پایداری کمپلکس‌های آزاکران با برخی یون‌های فلزات واسطه

جداسازی یون­‌های فلزی از پسماندهای هسته­‌ای موضوع با اهمیتی در حوزه صنعت هسته‌­ای به­‌شمار می‌­آید. ترکیبات شیمیایی حلقوی که دارای گروه اتری هستند، کران اتر ( اتر تاجی) نامیده می‌شوند. این ترکیبات به خوبی با کاتیون‌های مشخصی ترکیب شده و کمپلکس می‌سازند. جایگزینی پی‌­درپی اتم‌های اکسیژن با نیتروژن در این ترکیبات منجر به ساختارهای جدیدی به نام آزاکران می‌گردد. در این تحقیق از محاسبات مکانیک کوانت...