1. Informatics aided QSRR study of retention index of some volatile compounds
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 242-247
Abstract
In the present work, an artificial neural network (ANN) model was used to study the quantitative structure retention relationship (QSRR) of retention index (RI) of some volatile compounds in natural cocoa and conched chocolate powder. Molecular structural descriptors are selected using genetic algorithm ... Read More
2. Multicomponent reaction for the synthesis of 2,3-dihydroquinazolin-4(1H)-ones using isatoic anhydride, aldehydes and NH4OAc under Solvent-free conditions
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 248-256
Abstract
Quinazolinone derivatives are nowadays well recognized as valuable scaffold in drug discovery. In this manuscript an improved multicomponent process for the chemical synthesis of 2,3-dihydroquinazolin-4(1H)-one derivatives is described. Isatoic anhydride and aromatic aldehydes with ammonium acetate have ... Read More
3. A simplified green approach for synthesis of arylquinoxalines under solvent-free clay-catalysed conditions
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 257-267
Abstract
A friendly benign, green, rapid and facile strategy for synthesis a series of arylquinoxalines was achieved by condensation of aromatic 1,2-diamines with arylglyoxals under clay-catalyzed as an inexpensive and eco-friendly catalyst using grindstone chemistry. Significant decreases in reaction times and ... Read More
4. 4-Aryl-2, 6-di(pyren-1-yl)pyridines: A facile procedure for synthesis and studying of fluorescence properties
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 268-275
Abstract
Pyrene and its derivatives exhibit thermal stability, high extinction coefficients, excimer formation, high photoluminescence, long fluorescence lifetime, fluorophoric properties and enhanced charge carrier mobility which make them find applications in optoelectronic area and are useful as large planar ... Read More
5. The use of topological indices to predict thermodynamic properties of amino acids derivatives
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 276-289
Abstract
In the present investigation the applicability of various topological indices are tested for the QSPR study on 80 amino acids derivatives. Relationship between the Randic' (1X), Balaban (J), Szeged (Sz), Harary (H), Wiener (W), Hyper-Wiener (WW) and Wiener Polarity (WP) indices to the thermodynamic Properties ... Read More
6. Modeling and interactions analysis of the novel antagonist agent flibanserin with 5-hydroxytryptamine 2A (5-HT2A) serotonin receptor as a HSDD treatment in premenopausal women
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 290-300
Abstract
Flibanserin is a novel antagonist small molecule to treat the hypoactive sexual desire disorder (HSDD) in the premenopausal women. The present article is related to the structural and electronic properties study and docking analysis of the title compound with 5-hydroxytryptamine 2A (5-HT2A) serotonin ... Read More
7. A novel inexpensive method for preparation of silk nanofibers from cocoons
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 301-309
Abstract
In the present study , a novel method for the production of silk nano fibers are presented . In this way , a mechanical and easy technique is used instead of toxic and costly chemical methods . Also , the separation of silk nano fibers from the cocoon was carried out by mechanical homogenizer and probe ... Read More
8. Adsorption of proline amino acid on the surface of fullerene (C20) and boron nitride cage (B12N12): A comprehensive DFT study
Volume 1, Issue 3, pp. 242-317. , May and June 2019, Pages 310-317
Abstract
In this study, the performance of fullerene (C20) and boron nitride cage (B12N12) as a sensing material for detection of proline was evaluated by density functional theory. For this purpose, the structures of proline, C20, B12N12 and the derived products from the proline adsorption on the surface of ... Read More