Original Research Article
Organic chemistry
Mehdi Nabati; Mehrdad Mahkam; Hassan Heidari
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 236-243
Abstract
Turmeric (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 ...
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Turmeric (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.
Original Research Article
Physical chemistry
Reza Fazaeli; Mohammad Solimannejad
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 244-254
Abstract
Density 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 ...
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Density 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.
Original Research Article
Analytical chemistry
Burla Sunitha Seshamamba; Peruri Veera Satyanarayana; Chandra Sekharan
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 255-268
Abstract
Two 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 ...
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Two 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.
Original Research Article
Applied Chemistry
Omid Louie; Abdoulhossien Massoudi; Samaneh Maghsoodi
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 269-276
Abstract
Supramolecule 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 ...
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Supramolecule 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).
Original Research Article
Organic chemistry
Hassan Valizadeh; Fatemeh Mahmoodi Kordi; Reza Koohkan; Mir Babak Bahadori; Mehdi Moridi Farimani
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 277-282
Abstract
Lycium 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. ...
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Lycium 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.
Original Research Article
Analytical chemistry
Hadi Noorizadeh; Sharmin Esmaeilpoor; Zohreh Moghadam; Shahnaz Nosratolahy
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 283-299
Abstract
The 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 ...
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The 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.
Review Article
Organic chemistry
Kobra Nikoofar; Diba Kadivar; Samaneh Shirzadnia
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 300-315
Abstract
Indole 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 ...
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Indole 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.
Original Research Article
Physical chemistry
Morteza Vatanparast; Nabi Javadi; Rasoul Pourtaghavi Talemi; Elahe Parvini
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, Pages 316-325
Abstract
The 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 ...
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The 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.
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