Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001Isolation and characterization of curcumin from powdered rhizomes of turmeric plant marketed in Maragheh city of Iran with soxhlet technique236243801ENMehdiNabatiAzarbaijan Shahid Madani UniversityMehrdadMahkamAzarbaijan shahid madani universityHassanHeidariAzarbaijan Shahid Madani UniversityJournal Article20140418Turmeric (Curcuma longa L.) is extensively used as a spice, food preservative and colouring material. It has been used in traditional medicine for various diseases. Curcumin, the main yellow bioactive component of turmeric has been shown to have a wide spectrum of biological actions. Heretofore, it has been reported that natural colored extracts isolated from turmeric rhizomes with many methods such as maceration, digestion, microwave and infusion. In this paper, it was tried to isolate and characterize curcumin from the curcumin rhizomes marketed in Maragheh city of Iran by soxhlet extraction technique in methanol solvent. The advantage of this technique is the isolation of large amounts of curcumin (208 mg from 25 g turmeric rhizomes powder) with smaller quantity of methanol.Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001DFT study of dimers of dimethyl sulfoxide in gas phase244254802ENRezaFazaeliModeling and Optimization Research Center in Science and Engineering, South Tehran Branch, Islamic Azad University, Tehran, Iran, P.O. Box 11365-4435MohammadSolimannejadDepartment of Chemistry, Faculty of Sciences, Arak University, Arak 38156-8-8349, IranJournal Article20140414Density functional (DFT) calculations at M05-2x/aug-cc-pVDZ level were used to analyze the interactions between dimethyl sulfoxide (DMSO) dimers. The structures obtained have been analyzed with the Atoms in Molecules (AIMs) and Natural Bond Orbital (NBO) methodologies. Four minima were located on the potential energy surface of the dimers. Three types of interactions are observed, CH•••O, CH•••S hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the sulfur atom. Stabilization energies of dimers including BSSE and ZPE are in the range 27–40 kJ mol-1. The most stable conformers of dimers at DFT level is cyclic structure with antiparallel orientation of S=O groups that pairing with three C–H…O and a S…O interactions.Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001Simple spectrophotometric methods for quantification of modafinil using 1,2-naphthoquinone-4-sulphonate and 2,4-dinitrophenol as analytical reagents255268813ENBurla SunithaSeshamambaDepartment of Biotechnology, Jagarlamudi Kuppuswamy Choudary College, Guntur, Andhra Pradesh-522006, India.Peruri VeeraSatyanarayanaDepartment of Biochemistry, Acharya Nagarjuna University, Guntur, Andhra Pradesh-522510, India.ChandraSekharanDepartment of Food Chemistry and Nutrition, College of Food Science and Technology, Bapatla, Andhra Pradesh-522101, India.Journal Article20140218Two simple visible spectrophotometric methods are developed and validated for the quantification of modafinil using 1,2-naphthoquinone-4-sulphonic acid (NQS method) and 2,4-dinitrophenol (DNP method) as analytical reagents. The NQS method involves the reaction of modafinil with 1,2-naphthoquinone-4-sulphonate in alkaline medium at room conditions to form a yellow colored product exhibiting maximum absorption at 430 nm. DNP method is based on the proton transfer from 2,4-dinitrophenol to modafinil at room conditions and then we have the formation of yellow colored ion-pair complex exhibiting maximum absorption at 475 nm. Different variables affecting the reaction were studied and optimized. Under the optimized experimental conditions, Beer's law is obeyed in the concentration ranges of 10-100 and 8-60 μg/mL with the detection of limit values of 0.486 and 0.258 μg/mL for NQS method and DNP method, respectively The molar absorptivity and Sandell's sensitivity for both of the methods are reported. The methods were validated in terms of accuracy, precision and robustness. The results were satisfactory. The proposed methods were effectively applied to the analysis of the modafinil in their tablet formulations. The recoveries were 99.92% and 99.96% with RSD and 0.863% and 0.722% for NQS and DNS methods, respectively. The assay was not interfered by common excipients.Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001Synthesis and characterization of supramolecule self-assembly polyamidoamine (PAMAM) G1-G1 NH2, CO2H end group Megamer269276821ENOmidLouieDepartment of Chemistry, Payame Noor University, PO Box 19395-4697, Tehran, IranAbdoulhossienMassoudiDepartment of Chemistry, Payame Noor University, PO Box 19395-4697, Tehran, IranSamanehMaghsoodiDepartment of Chemistry, Payame Noor University, PO Box 19395-4697, Tehran, IranJournal Article20140507Supramolecule self assembly polyamidoamine (PAMAM) dendrimer refers to the chemical systems made up of a discrete number of assembled molecular subunits or components. These strategies involve the covalent assembly of hierarchical components reactive monomers, branch cells or dendrons around atomic or molecular cores according to divergent/convergent dendritic branching principles, systematic filling of space around a core with shells (layers) of branch cells. The polydispersity index (PDI) for the Supramolecule megamer are pretty closed to one, are in agreement with the Poisson probability distribution. Polyamidoamine (PAMAM) dendrimer G1-G1 that it was PAMAM Megamer NH2, COOH end group synthesized and characterized by FT-IR, 1H NMR, 13C NMR spectra and Gel Permeation Chromatography (GPC).Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001Isolation and structure elucidation of coumarin and cinamate derivatives from Lycium ruthenicum277282826ENHassanValizadehDepartment of Chemistry, Faculty of Sciences, Azarbaijan Shahid Madani University, Tabriz, IranFatemehMahmoodi KordiDepartment of Biology, Faculty of Sciences, Azarbaijan Shahid Madani University, Tabriz, IranRezaKoohkanDepartment of Chemistry, Faculty of Sciences, Azarbaijan Shahid Madani University, Tabriz, IranMir BabakBahadoriDepartment of Chemistry, Faculty of Sciences, Azarbaijan Shahid Madani University, Tabriz, IranMehdiMoridi FarimaniDepartment of phytochemistry, Shahid Beheshti University, Tehran, IranJournal Article20140426Lycium species is a popular medicinal plant in the traditional Chinese medicine and Lycium ruthenicum is a native medicinal plant of Iran. Lycium genus has several biologically important properties too. Investigation of chemical composition of ethyl acetate extract of this plant is the goal of this study. Two coumarins (Scopoletin and Sculetin) and Methyl-2-hydroxy-4-undecanoxy-trans-cinamate were isolated and characterized as the major constituents using 1H-NMR, 13C-NMR and FT- IR spectroscopic data, MS spectrometry, elemental analysis and by comparison with the literature values. Phytochemical investigation of Lycium ruthenicum demonstrated the presence of important biologically active compounds. This is the first phytochemical study of this species in Iran.Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001QSRR models of veterinary drugs in milk in ultra-performance liquid chromatography coupled to time of flight mass spectrometry283299831ENHadiNoorizadehDepartment of Chemistry, Payame Noor University of ilam, Ilam, IranSharminEsmaeilpoorDepartment of Chemistry, Payame Noor University, P.O. BOX 19395-4697 , Tehran, IranZohrehMoghadamDepartment of Chemistry, Payame Noor University, P.O. BOX 19395-4697 , Tehran, IranShahnazNosratolahyEducation Ilam, Fazilat Girls High SchoolJournal Article20140405The veterinary drugs residues are also important pollutants found in milk, since veterinary drugs are commonly used in cattle management. Considering the role of milk in human nutrition and its wide consumption throughout the world, it is very important to ensure the milk quality. A quantitative structure–retention relationship (QSRR) was developed using the partial least square (PLS), Kernel PLS (KPLS) and Levenberg-Marquardt artificial neural network (L-M ANN) approach for chemometrics study. Genetic algorithm was employed as a factor selection procedure for PLS and KPLS modeling methods. By comparing the results, GA-KPLS descriptors are selected for L-M ANN. Finally a model with a low prediction error and a good correlation coefficient was obtained by L-M ANN. This is the first research on the QSRR of veterinary drugs using the chemometrics models.Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001Pharmacological properties of some 3-substituted indole derivatives, a concise overview300315832ENKobraNikoofarchemistry department, school of sciences, alzahra university, vanak, tehran, i.t.iranDibaKadivarDepartment of Chemistry, School of Science, Alzahra University, Vanak, Tehran 1993891176, IranSamanehShirzadniaDepartment of Chemistry, School of Science, Alzahra University, Vanak, Tehran 1993891176, IranJournal Article20140414Indole is a nitrogen-containing heterocycle. It is a very important motif in agriculture and pharmacy. Many compounds containing indole moiety has been isolated form nature. It is also an important part in natural alkaloids. Tryptophan is an amino acid which posses indole. 3-Sustituted indoles are the main group of its derivatives. Because the wide-spread application of 3-substituted indolic compounds their synthetic procedures are in demand by organic chemists. In this review we have focused on about twenty compound of 3-substituted indole derivatives that showed pharmacological properties. A concise synthetic route for some of them has also been reported. The main pharmaceutical properties of these compounds are antibacterial, anticancer and antimicrobial activities.Iranian chemical communication2423-49582Issue 4, pp. 236-325, Serial No. 520141001Characterization of intermolecular interaction between Cl2 and HX (X=F, Cl and Br): An ab initio, DFT, NBO and AIM study316325833ENMortezaVatanparastDepartment of Physical Chemistry, University of Tabriz, Tabriz, IranNabiJavadiDepartment of Chemistry, Kharazmi (Tarbiat Moallem) University, Tehran, IranRasoulPourtaghavi TalemiDepartment of Chemistry, Kharazmi (Tarbiat Moallem) University, Tehran, IranElaheParviniDepartment of Physical Chemistry, University of Tabriz, Tabriz, IranJournal Article20140401The character of the intermolecular interactions in Cl2-HX (X =F, Cl and Br) complexes has been investigated by means of the second-order Möller–Plesset perturbation theory (MP2) and the density functional theory (DFT) calculations. The results show that there are two types of lowest interaction potential equilibrium structures in the interactions between Cl2 and HX: X∙∙∙Cl type geometry and hydrogen-bonded geometry. The calculated interaction energies show that the X∙∙∙Cl type structures are more stable than the corresponding hydrogen-bonded structures. The nature of the intermolecular interactions has been also investigated by natural bond orbital (NBO) and atoms in molecules (AIM). The AIM analysis reveals that both types of intermolecular interactions are “closed-shell” noncovalent interactions.