Volume 10, Issue 1
مرور بر اساس
ارسال های اخیر
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Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum)
(Iranian Chemical Society, 2022-03-01)This study modelled a kinetic for estimating geranyl geranyl pyrophosphate (GGPP) concentration in the carotenoid pathway in tomatoes (Solanum lycopersicon). Kinetics of bioformation of carotenoids in tomatoes of different ...
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Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties
(Iranian Chemical Society, 2022-03-01)In this work, graphene oxide/activated clay/Gelatin (GO/AC/G) composite blends were prepared by a simple solution mixing method. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy were investigated ...
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Effect of Polarity on the Interaction Energies of some Organic Solvent (OS)-Water System and Formation of Donor-acceptor Complex: Quantum Mechanical MP4 Study
(Iranian Chemical Society, 2022-03-01)Organic solvent or molecule directly interacts with water molecule then it shows a significant change in the stability of such solvent-water system. Polar organic solvent/molecule shows strong hydrogen bonding interaction ...
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Quantitative Structure-activity Relationship Studies and Nonlinear Optical Properties of 2-Phenylbenzofuran Derivatives: A Density Functional Theory Study
(Iranian Chemical Society, 2022-03-01)Density Functional Theory calculations, in the ground state of 2-Phenylbenzofuran, were carried out using the GGA-PBE, PBV86 and meta-GGA-TPSS hybrid functionals with 6-31G (d, p) as a basis set. First, theoretical ...
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The Effects of the Ionic Field Strength of Be2+, Mg2+, and Ca2+ and a Static Electric Field (SEF) on the Interaction Between Prothionamide and B12P12 Nanocage: A DFT and TD-DFT Study
(Iranian Chemical Society, 2022-03-01)In the present study, the capability of B12P12 nanocage to detect and deliver prothionamide (PA) drug in the presence of static electric field (SEF=0.005 to SEF=0.075 a.u.) and Be+2, Mg+2 ,and Ca+2 ions encapsulated inside ...
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Theoretical Investigation on Inclusion Complex of (s)-2-Isopropyl-1-(o-nitrophenyl) Sulfonyl) Aziridine with β-Cyclodextrin
(Iranian Chemical Society, 2022-03-01)The present work aims to study the theoretical chemistry applied to organic systems such as host / guest inclusion complexes. In literature different molecular modeling computation methods have been used to study the ...
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On the Effect of the Hard-sphere Term on the Statistical Associating Fluid Theory Equation of State
(Iranian Chemical Society, 2022-03-01)The hard-sphere system is the reference fluid for most versions of the statistical associating fluid theory (SAFT) equation of state (EoS). In the SAFT-type equations of state, the hard-sphere equation directly affects the ...
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Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors
(Iranian Chemical Society, 2022-03-01)In this work, a quantitative structure-activity relationship (QSAR) for some tacrine derivatives inhibitors of acetylcholinesterase was modeled using ligand-receptor interconnection interaction space. The descriptors were ...
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Effect of Temperature and Electrode Thickness on the Performance of Dye-Sensitized Solar Cells
(Iranian Chemical Society, 2022-03-01)The temperature and the electrode thickness are among the important parameters which affect the performance of photovoltaic cells. Based on a diffusion model defined in the literature, these effects have been investigated ...
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The Effects of Silicon Oxide on the Structure, Physical Chemistry Properties, and Bioactivity of Phosphate Glasses Containing Sodium, Strontium, and Titanium Oxides
(Iranian Chemical Society, 2022-03-01)Glasses with molar compositions 40Na2O - 10SrO - (20-x)TiO2 - xSiO2 - 30P2O5 (0 ≤ x ≤ 10), corresponding to the chemical formula Na4Sr0.5Ti(1-y)Siy(PO4)3 ( 0 ≤ y ≤ 0.5) with O/P = 4, have been prepared by the classical ...
