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حرية الوصول المقاله
1 - The effect of Environmental exposure to some chemical solvents on DPPC as important component of lung surfactant: an ab initio study
M. Monajjemi S. Afsharnezhad J. Yousefi M.R. Jaafari B. Honarparvar M. Mirsadraiee T. Abdolahi S. Ghadri A. Nikosade S.A. BadieeyanOne of the main components of lung alveoli is surfactant. DPPC (Dipalmitolphosphatidylcholine) is thepredominant lipid component in lung surfactant that is responsible for lowering surface tension in alveoli in thisarticle. We used a very approximate model with computat أکثرOne of the main components of lung alveoli is surfactant. DPPC (Dipalmitolphosphatidylcholine) is thepredominant lipid component in lung surfactant that is responsible for lowering surface tension in alveoli in thisarticle. We used a very approximate model with computational method of Ab initio to describe the interactionsbetween DPPC as important component of lung surfactant and some chemical solvents such as Benzene,Toluene, Heptane, Acetone and Ethanol which cause Lung injuries that contribute to respiratory distress such asARDS. The effect of these solvents on the conformation and disordering DPPC head group has beeninvestigated with calculation at the Hatree-Fock level using the 6-31G basis set with Onsager continuumsalvation, GAIO and frequency models. In concern with conformational energy, Water could be the mostsuitable solvent for DPPC. It could be in polar medium DPPC conformer becomes additionally stabilized byintermolecular ionic and hydrogen bond interactions with polar neighboring molecules. On the other hand, thisstudy shows that Ethanol has the most effect on conformation and lipid disorder DPPC head group of lungsurfactant in our model. تفاصيل المقالة -
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2 - Thermodynamic Study and Total Energy Calculation for three systems of Enol↔Keto Tautomerism
H. Aghaie M. Monajjemi L. PapeiUsing HartreeFock (HF) and ِِDensity Functional Theory (DFT) calculations the thermodynamic properties such as thermal energy , , thermal enthalpy , , thermal entropy , , thermal Gibbs free energy , , heat capacity ,Cv, and molecular structures of several species involv أکثرUsing HartreeFock (HF) and ِِDensity Functional Theory (DFT) calculations the thermodynamic properties such as thermal energy , , thermal enthalpy , , thermal entropy , , thermal Gibbs free energy , , heat capacity ,Cv, and molecular structures of several species involving in keto↔enol tautomerism related to acetaldehyde (A), 5,5-dimethyl-1,3-cyclohexanedione (dimedone) and acetylacetone (AA) have been investigated. In addition, the geometric structure of all stages intervening in enol ↔ keto conversion related to three above mentioned compounds have been investigated on ab initio calculation and DFT level by using STO-3G, 6-31G, 6-31++G and 6-31++G** basis sets. The results showed that the enol structure related to acetylacetone is more stable because of intramolecular hydrogen bond formation in the enol form while the keto structure is more stable in acetaldehyde and dimedone because of strong C=O bond existence in the keto tautomers. The computed HF/DFT results are in a good agreement with the experimental studies. Moreover,the values of , , and thermodynamic equilibrium constant, Kth, of tautomerization phenomenon related to acetaldehyde, dimedone and acetylacetone are calculated on the basis of DFT-IR method. تفاصيل المقالة -
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3 - Three Component Syntheses of Pyrrolo Imidazole Derivatives in the Presence of N-methyl imidazole, Activated Acetylenes and Phenylsulfonylacetophenone
Anvar MirzaeiBecause of the significant role in biological processes in living cells and the diverse types of physiological activities, heterocyclic compounds are in focus of intense investigations by academic, industry and applied-oriented chemists. Considerably, ascientific rena أکثرBecause of the significant role in biological processes in living cells and the diverse types of physiological activities, heterocyclic compounds are in focus of intense investigations by academic, industry and applied-oriented chemists. Considerably, ascientific renaissance of heterocycles during the last decades is closely related to the development of multicomponent approaches to their synthesis. Multicomponent methodology is fundamentally different from two-component or sequential processestogether with other innovative synthetic methods like microwave- and ultrasonic assisted reactions offer some new possibilities in constructing heterocyclic systems with high level of molecular diversity and complexity. Among them Imidazoles are quite important reagents in modern heterocyclic chemistry, and their reactions with electrophiles are the most widespread and facile synthetic approach for obtaining diverse heterocyclic systems containing Imidazolemoiety. An interest on these heterocycles is attributed to their known biological activities: analgesics, cardiovascular vasodilators, calcium channel blocking agents, potassium channel inhibitors, apoptosis-inducers, and so on. In this research, N-methyl imidazole reacts smoothly with dialkylacetylenedicarboxylates in the presence of phenylsulfonyl acetone to produce pyrroloimidazole derivatives in good yields. تفاصيل المقالة -
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4 - Synthesis and Characterization of 1-(2-Methyl-4-(4-methylbenzoyl)-7-thioxo-5-p-tolylpyrazolo[1,5-f]pyrimidin-1(7H)-yl)propan-2-one
Zülbiye Kökbudak Halime Aslan Zeynep Çimen Senem AkkoçCompounds containing pyrimidine ring attract researchers' attention due to their different properties. For example, Ishida et al. synthesized Cu(II) complexes having pyrimidine ring, and investigated their magnetic properties. By Wiśniewski et al., Ru(III), Rh(III), Pd( أکثرCompounds containing pyrimidine ring attract researchers' attention due to their different properties. For example, Ishida et al. synthesized Cu(II) complexes having pyrimidine ring, and investigated their magnetic properties. By Wiśniewski et al., Ru(III), Rh(III), Pd(II) and Pt(II) metal complexes containing pyrimidine ring were designed and tested as in vitro against A549, LS-180 and MCF-7 cell lines for learning their cell proliferation activities. In the conducted study by Kökbudak et al., a series of various metal complexes were prepared from a Schiff base having pyrimidine core, and the cytotoxic activity properties of the complexes were screened against human lung cell line.In this study, 1-amino-5-(4-methylbenzoyl)-4-(4-methylphenyl)pyrimidin-2(1H)-thione (1) was prepared in two steps by the reaction of furan-2,3-dione and acetophenon thiosemicarbazone. 1-(2-Methyl-4-(4-methylbenzoyl)-7-thioxo-5-p-tolylpyrazolo[1,5-f]pyrimidin-1(7H)-yl)propan-2-one (2) was synthesized from compound 1 with α-chloracetone. The structure of new compound 2 was verified by FT-IR, 1H NMR, 13C NMR and elemental analyses. The theoretical properties of compound 2 was also calculated using Gaussian 09 program. تفاصيل المقالة -
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5 - Investigation of acetone as co-solvent on performance PES nanofiltration membrane
Hamideh Aminifard Abdolreza Moghadassi Ehsan BagheripourPolyethersulfone (PES)-based on mixed matrix nanofiltration membrane was developed by amalgamation with partially reduced acetone nanocomposite. The effect of acetone fillings on the morphology and performance of the prepared membranes was examined by scanning electron أکثرPolyethersulfone (PES)-based on mixed matrix nanofiltration membrane was developed by amalgamation with partially reduced acetone nanocomposite. The effect of acetone fillings on the morphology and performance of the prepared membranes was examined by scanning electron microscopy (SEM) and water contact angle analysis. The blended membranes showed improved water permeability and fouling resistance likened to the simple PES. When the content of acetone was 100 wt.%, the water flux touched a maximum value (10.5 kg/m2 h) nearly twice of that of the simple PES membrane (3.5 kg/m2 h). Fouling confrontation of the membranes studied by stupid serum albumin solution filtration presented that 10 wt.% acetone membrane had the best antifouling property. Nanofiltration performance of the prepared membranes was assessed by rejection of three organic dyes with different molecular masses. تفاصيل المقالة -
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6 - Catalytic Synthesis N-alkyl-3-acetyl-2-methylpyrroles using ZnO Nanostructure
A.S. Shahvelayati M. Sabbaghan S. BanihashemA simple, green synthesis of N-alkyl-3-acetyl-2-methylpyrrole derivatives using ZnO nanoparticles from the three component reaction of aliphatic amines, acetylacetone (as a 1,3-dicarbonyl compound) and α-haloketones under solvent-free condition is described.A simple, green synthesis of N-alkyl-3-acetyl-2-methylpyrrole derivatives using ZnO nanoparticles from the three component reaction of aliphatic amines, acetylacetone (as a 1,3-dicarbonyl compound) and α-haloketones under solvent-free condition is described. تفاصيل المقالة -
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7 - تاثیر دمای نگهداری و روش استخراج در میزان کلروفیل درگیاه یونجه (.Medicago sativa L)
مریم خوش سخنمقدمه: از آنجا که سنتز برخی ترکیبات شیمیایی سخت و هزینهبر است، یافتن راههایی برای تقویت تولید آنها در گیاهان ضرورت دارد. یکی از این مواد، ترکیبات رنگی میباشد. کلروفیل به عنوان یک رنگدانه طبیعی، نقش مهمی در ظاهر رنگ سبز گیاهان ایفا میکند. این رنگ در صنایع غذایی، آرای أکثرمقدمه: از آنجا که سنتز برخی ترکیبات شیمیایی سخت و هزینهبر است، یافتن راههایی برای تقویت تولید آنها در گیاهان ضرورت دارد. یکی از این مواد، ترکیبات رنگی میباشد. کلروفیل به عنوان یک رنگدانه طبیعی، نقش مهمی در ظاهر رنگ سبز گیاهان ایفا میکند. این رنگ در صنایع غذایی، آرایشی و ... استفاده میشود.هدف از این تحقیق تاثیر نحوه نگهداری و روش استخراج در میزان کلروفیل در گیاه یونجه میباشد. مواد و روشها: پس ازکشت بذرهای گیاه یونجه، بخش هوایی گیاه جهت آنالیزهای بیوشیمیایی برداشت گردید و در دماهای مختلف (دمای 4 و20- ) نگهداری شد. سپس کلروفیل با استفاده از حلالهای استون و اتانول به روش سائیدن و حلالهای متانول، DMSO و DMF به روش خیساندن استخراج و سپس میزان آن با اسپکتروفتومتر در طول موج های مربوطه اندازه گیری شد.نتایج و بحث: بر اساس نتایچ بدست آمده میتوان گفت حلال استون با توانایی بالا و تولید مقدار غلظت کلروفیل استخراجی بیشتر نسبت به دیگر حلالها، به عنوان حلال مناسب انتخاب شد. همچنین نمونههای نگهداری شده در دمای 20-، به دلیل احتمال تخریب کمتر، میزان کلروفیل بیشتری نشان دادند. نتیجهگیری: نگهداری اندام هوایی گیاه در20- میزان کلروفیل بیشتری را نسبت به 4 درجه سانتیگراد حفظ میکند و استخراج کلروفیل بهروش ساییدن در استون در مقایسه با حلالهای دیگر دارای عملکرد بهتری دارد. تفاصيل المقالة -
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8 - Spotlight: Use of 1,3-dioxan-5-one derivatives in organic synthesis
Mohammad Javad PoursharifiMohammad Javad Poursharifi was born in 1971 in Ray City, Iran. He obtained his B.Sc. (1994) from Kharazmi University, Tehran. He then completed his M.Sc. studies in Organic Chemistry (2008) from Islamic Azad University, Saveh Branch, Iran. Currently, he is working towar أکثرMohammad Javad Poursharifi was born in 1971 in Ray City, Iran. He obtained his B.Sc. (1994) from Kharazmi University, Tehran. He then completed his M.Sc. studies in Organic Chemistry (2008) from Islamic Azad University, Saveh Branch, Iran. Currently, he is working towards his Ph.D. under the supervision of Professor Mohammad Majid Mojtahedi and Professor Mahmood M. Hashemi at Islamic Azad University, Science and Research Branch. His research involves synthetic applications of 1,3-dioxan-5-one derivatives. تفاصيل المقالة -
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9 - Solvent extraction of Gd(III) from perchlorate and nitrate media with mixtures of thenoyltrifluoroacetone and Benzo-15-Crown-5
Valeri JordanovThe extraction of Gadolinium (Gd) from perchlorate and nitrate media in 1,2-dichloroethane(C2H4Cl2), carbon tetrachloride (CCl4) and chloroform (CHCl3) by mixtures of 2-thenoyltrifluoroacetone (HTTA) and a crown ether benzo-15-crown-5 (B15C5) is investigated.The composi أکثرThe extraction of Gadolinium (Gd) from perchlorate and nitrate media in 1,2-dichloroethane(C2H4Cl2), carbon tetrachloride (CCl4) and chloroform (CHCl3) by mixtures of 2-thenoyltrifluoroacetone (HTTA) and a crown ether benzo-15-crown-5 (B15C5) is investigated.The composition of the extracted species is determined as Gd(TTA)3.nB15C5 (n=1 in nitratemedium and n=2 in perchlorate medium). The values of the equilibrium constant KT,S and βT,Sare calculated. The influence of the water medium and the polarity of organic diluents on theextraction process are discussed. تفاصيل المقالة
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