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Hamzavi Seyedeh Fazileh Gerivani Sanaz Saeedi Simin Naghdipari Kobra Shahverdizadeh Gholamhossein 《Molecular diversity》2020,24(1):201-209
Molecular Diversity - In this research, the cellulose–copper(II) oxide composite particles were provided by a novel and simple approach using Schweizer’s reagent via dialysis method at... 相似文献
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A.R. Akbarzadeh M. Nekoeifard R. Rahmatollah M.H. Keshavarz 《SAR and QSAR in environmental research》2020,31(5):347-371
ABSTRACT Two simple and reliable correlations are introduced for the prediction of emission and absorption of porphyrins and their derivatives, i.e. metalloporphyrins and ligand coordinated metalloporphyrins. They can be used to sense the extracted precious metals. The proposed models require only simple structural parameters such as the number of carbon, metal and metal-free molecular fragments of desirable porphyrins or their derivatives. Since the proposed models depend on molecular structures of the desired compounds, they can be easily applied for complex molecular structures. Experimental data of 272 porphyrin derivatives were used to derive and test the novel models for the assessment of their emission (Em.) and absorption (Abs.) values in three solvents namely dichloromethane, toluene and chloroform. The values of the coefficients of determination (r 2) for the training set (183 compounds) in dichloromethane and three different test sets, corresponding to the three mentioned solvents, for the emission and absorption correlations were greater than 0.70. The calculated values of the root-mean-square error (RMSE) for the training sets of Em. and Abs. correlations were equal to 7.56 and 4.86 nm, respectively. Further statistical parameters also confirm the high reliability of the new models. 相似文献
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Ghasem Marandi Niloufar Akbarzadeh Torbati Reza Heydari Nourallah Hazeri Sayyed Mostafa Habibi-Khorassani Malek Taher Maghsoodlou 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):1450-1461
A series of diverse NH- and CH-acids are used for a one-pot synthesis of stable phosphorus ylides and 1,4-diionic organophosphorus compounds by trapping of the zwitterionic intermediate from the reaction between triphenylphosphine and dialkyl acetylenedicarboxylates under solvent-free conditions. The structural geometry for one of the products was confirmed by single crystal X-ray diffraction analysis. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. 相似文献
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Mina Saeedi Shirin Ansari Mohammad Mahdavi Reyhaneh Sabourian Tahmineh Akbarzadeh Alireza Foroumadi 《合成通讯》2013,43(20):2311-2318
A novel series of 1,2,3-triazole-dihydro[3,2-c]chromenone derivatives were synthesized through an efficient three-step reaction starting from 4-hydroxybenzaldehyde. All the newly synthesized compounds were characterized by infrared and NMR spectroscopy as well as elemental analysis and evaluated for their acetylcholinesterase inhibitory activity. 相似文献
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H2 adsorption on Ag‐nanocluster/single‐walled carbon nanotube composites: A molecular dynamics study on the effects of nanocluster size,diameter, and chirality of nanotube
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The H2 physisorption on AgN (with N = 32, 108, 256, 500, and 864)/carbon nanotube (CNT; in armchair and zigzag structures with diameters between 0.54 and 2.98 nm) composites were studied by molecular dynamic simulation to investigate the effect of nanocluster size, diameter, and chirality of nanotube on the adsorption phenomena. The calculations indicate that the effects of nanocluster properties are more important than those of the nanotube, in such a way that increase of nanocluster size, decreases the H2 adsorption. Also, the diameter and chirality of CNTs have considerable influence on the adsorption phenomena. As the diameter of nanotube is increased, the amount of adsorption is decreased. Moreover, H2 molecules have more tendencies to those nanoclusters located on the armchair nanotubes than the zigzag ones. Another important result is the reversibility of H2 adsorption on these materials in which the structure of composite in vacuum and after reduction of H2 pressure to zero, is not changed, considerably. © 2015 Wiley Periodicals, Inc. 相似文献
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Ghobadian Roshanak Esfandyari Roghaieh Nadri Hamid Moradi Alireza Mahdavi Mohammad Akbarzadeh Tahmineh Khaleghzadeh-Ahangar Hossein Edraki Najmeh Sharifzadeh Mohammad Amini Mohsen 《Molecular diversity》2020,24(1):211-223
Molecular Diversity - Inhibition of butyrylcholinesterase (BChE) might be a useful therapeutic target for Alzheimer’s disease (AD). A new series of 1,2,3,4-tetrahydro-9H-carbazole derivatives... 相似文献
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The band structure of both phases, zinc-blende and wurtzite, of aluminum nitride, indium nitride and gallium nitride has been studied using computational methods. The study has been done using first principle full-potential linearized augmented plane wave (FP-LAPW) method, within the framework of density functional theory (DFT). For the exchange correlation potential, generalized gradient approximation (GGA) and an alternative form of GGA proposed by Engel and Vosko (GGA-EV) have been used. Results obtained for band structure of these compounds have been compared with experimental results as well as other first principle computations. Our results show a significant improvement over other theoretical work and are closer to the experimental data. 相似文献
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A. Shafiee T. Akbarzadeh A. Foroumadi F. Hadizadeh 《Journal of heterocyclic chemistry》1998,35(1):141-144
A series of isomeric 4 and 5-alkylsulfonyl, alkylsulfinylimidazoles 9,10 were prepared by two general methods. Chlorosulfonation of imidazole afforded 4(5)-chlorosulfonylimidazoles 2, 4, 5 . The chlorosulfonyl derivatives were reduced, alkylated and oxidized to give 9 and 10 . In the second method 2, 4, 5 were converted to sodium sulfinate 8 and reacted with alkyl halides to afford the title compound 9 . 相似文献