In this study, we used the computational process by DFT with the B3LYP/6-311+G (d, p) quantum method to discover the reactivity properties and dope and determine the adsorption behavior of Citalopram on C60 (ih) as anti-depression drug carriers in the gas phase. We calculated chemical structural parameters such as dipole momentum) 3.7193D) and electronic parameters (σ(6.45), µ(-2.70), ω(16.5), χ(2.70) and η(1.53)) which can determine the chemical reactivity of Citalopram. According to the calculated HOMO(-4.25eV) and LUMO(-1.15eV) energy value, Citalopram is a stable and chemical active compound and has chemical reactivity. It has six active sides, which lead to adsorb on C60 nanocage as a drug carrier. This Surface adsorption helps Citalopram transfer to biological systems much better. پرونده مقاله

Known as a Lewis acid which acts as a natural catalyst, bentonite can be used to produce several arylidene (thio) barbituric acid derivatives through conducting a Knoevenagel reaction between aromatic aldehydes and (thio) barbituric acid. Water is considered as the medium for this reaction and the results are at arange of good to excellent over a reasonable reaction time. This method is natural and economic as well as convenient to work with, while the reaction time is also short. In addition to excellent results, this method is also environment-friendly due to the use of water as solvent that broadens the domain of organic synthesis in aqueous medium. پرونده مقاله

Pills of Mefenamic acid were employed as effective catalysts in the three component reaction of aromatic aldehydes, malononitrile, as well as 4-hydroxycoumarin or barbituric acid in aqueous solution, using reflux conditions in order to synthesize derivatives of dihydropyrano[2,3-c]chromene and pyrano[2,3-d]pyrimidine, correspondingly. Among the benefits of this technique, higher efficiency, shorter reaction time, along with better reaction indices could be mentioned. پرونده مقاله

In this paper, a highly selective sample cleanup procedure combining molecular imprinting andsolid phase extraction (MI-SPE) was developed for the isolation of toxic bentazon in surface water.The molecularly imprinted polymer (MIP) was prepared using bentazon as the template molecule,methacrylic acid as the functional monomer, and ethylene glycol dimethacrylate as the cross-linkingmonomer. The bentazon imprinted polymer was used as a selective sorbent for the solid-phaseextraction of bentazon from surface water. An offline MI-SPE method followed by highperformance liquid chromatography was also established. To evaluate the applicability of the MIPfor separation and determination of bentazon by HPLC, general parameters for SPE including thenumber of loading solvents, washing solution and eluent, and pH of the sample were optimizedfollowing a step-by-step approach. The calibration curve was linear in the range of (0.05 to 0.6 µg L−1). The standard deviation of (2.2 %) and detection limit of the method (0.05 µg L−1) wereobtained for sensor level response. It was shown that recoveries up to approximately 97.0 % fromspiked surface water samples could be obtained. It was demonstrated that the proposed MI-SPEHPLC method could be applied to the direct determination of bentazon in surface water. پرونده مقاله

با توجه به اهمیت مشتق‌های کومارین و به‎ویژه پیرانوکرومن‌ها به دلیل داشتن ویژگی متفاوت شیمیایی و زیستی در این پژوهش، مشتق‌های پیرانو‌(h-3،2) کومارین از واکنش بنزالدهید و مشتق‌های کرومن در حضور نانوچندسازه Ti–Al/Al2O3 به‌عنوان کاتالیست و در حلال متانول تهیه شد. فراورده‌های به‌دست‌آمده با طیف‌سنجی‎های FTIR، 1H NMR و 13C NMR شناسایی شدند. پس از شناسایی، فعالیت ضدباکتری برخی از ترکیب‌های تهیه‎شده بررسی شد. بازده بالا، خالص‌سازی آسان، روش آسان و زمان کوتاه انجام واکنش از مزیت‌های این واکنش است. ویژگی ضدباکتری ترکیب‌های جدید تهیه شده با روش انتشار صفحه‌ای بر باکتری گرم منفی اشریشیاکلی و باکتری گرم مثبت استافیلوکوکوس آرئوس بررسی و نتایج رضایت بخشی به‎دست آمد. از بین ترکیب‌های تهیه شده، ترکیب 8-آمینو-5-هیدروکسی-4-متیل-2-اکسو-10-فنیل-10،2-دی‎هیدروپیرانو (f-2،3) کرومن-9-کربونیتریل (7) در مقابل هر دو باکتری فعالیت ضدباکتری خوبی در مقایسه با داروی استاندارد تتراسایکلین از خود نشان ‌داد. پرونده مقاله