排序方式: 共有7条查询结果,搜索用时 15 毫秒
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Samadi Morasae Zirak Mohammad Naseri Amene Kheirabadi Malihe Ebrahimi Mahdi Moshfegh Alireza Z. 《Research on Chemical Intermediates》2019,45(4):2197-2254
Research on Chemical Intermediates - Photocatalysis using semiconductors has emerged as a promising wastewater treatment process to overcome the major challenges faced by conventional technologies.... 相似文献
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Zhao Q Lam YH Kheirabadi M Xu C Houk KN Schafmeister CE 《The Journal of organic chemistry》2012,77(10):4784-4792
Derivatives of 4-hydroxyproline with a series of hydrophobic groups in well-defined orientations have been tested as catalysts for the aldol reactions. All of the modified proline catalysts carry out the intermolecular aldol reaction in water and provide high diastereoselectivity and enantioselectivity. Modified prolines with aromatic groups syn to the carboxylic acid are better catalysts than those with small hydrophobic groups (1a is 43.5 times faster than 1f). Quantum mechanical calculations provide transition structures, TS-1a(water) and TS-1f(water), that support the hypothesis that a stabilizing hydrophobic interaction occurs with 1a. 相似文献
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Computational modeling of the kinetics and mechanism of tellurium-based glutathione peroxidase mimic
A new generation of glutathione peroxidase enzyme mimic based on organotellurium was introduced. The catalytic cycles of these mimics, tellura and tellenol, were clarified by density functional theory and solvent-assisted proton exchange procedure as an indirect proton exchange chain. From the kinetic viewpoint, the oxidation of tellura (ΔG≠ = 23.55 kcal mol−1) was considered as the rate-determining step using a single-step process. Various behaviors of tellenol were examined in the reduction of tellurenylsulfide based on methanethiol nucleophilicity. On the basis of the turnover frequency calculations, during the catalytic cycles of tellura and tellenol, the rate of the catalytic cycle of tellura is faster than that of tellenol. A decrease in the electron density and an increase in the Laplacian from the reactant to the transition states are evidence of the bond rupture, whereas an opposite change is evidence of the bond formation. Finally, different analyses of the electron location function and localized orbital locator within the quantum theory of atoms in molecules were applied and discussed. The covalent nature of the intramolecular interactions suggests that the Te⋯N interaction is stronger than that of Te⋯H. Finally, based on different analyses, tellura can be considered the more reactive GPx mimic than tellenol. 相似文献
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Let G be a nonabelian group. We define the noncommuting graph ∇(G) of G as follows: its vertex set is G\Z(G), the set of non-central elements of G, and two different vertices x and y are joined by an edge if and only if x and y do not commute as elements of G, i.e., [x, y] ≠ 1. We prove that if L ∈ {L
4(7), L
4(11), L
4(13), L
4(16), L
4(17)} and G is a finite group such that ∇(G) ≅ ∇(L), then G ≅ L. 相似文献
5.
Noushin Raeisi Kheirabadi Alessandro Chiolerio Konrad Szaciłowski Andrew Adamatzky 《Chemphyschem》2023,24(1):e202200390
Advances in flexible electronic devices and robotic software require that sensors and controllers be virtually devoid of traditional electronic components, be deformable and stretch-resistant. Liquid electronic devices that mimic biological synapses would make an ideal core component for flexible liquid circuits. This is due to their unbeatable features such as flexibility, reconfiguration, fault tolerance. To mimic synaptic functions in fluids we need to imitate dynamics and complexity similar to those that occurring in living systems. Mimicking ionic movements are considered as the simplest platform for implementation of neuromorphic in material computing systems. We overview a series of experimental laboratory prototypes where neuromorphic systems are implemented in liquids, colloids and gels. 相似文献
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Esmail Rezaei-Seresht Erfan Mireskandari Mitra Kheirabadi Hamid Cheshomi Hasan Rezaei-Seresht Leila Sadat Aldaghi 《Chemical Papers》2017,71(8):1463-1469
A series of novel azo compounds with extended π-conjugated systems were prepared by azo coupling reaction compounds trans-2-(4′-aminostyryl)-thiophene, 1-(4-aminophenyl)-4-phenyl-1,3-butadiene and 4-amino-4′-methoxystilbene with some phenols. The compounds were evaluated for their cytotoxicity against breast cancer adenocarcinoma (MCF-7), cervix adenocarcinoma (HeLa) and human embryonic kidney (HEK 293) cell lines using the MTT assay. The results showed all derivatives had more toxic effects than tamoxifen. Of all the compounds tested, the azo product obtained from coupling trans-2-(4′-Aminostyryl)-thiophene with 2-naphthol (compound 5b) exhibited the potent in vitro antiproliferative activity with IC50 27 ± 1 and 18 ± 0 µg/mL against MCF-7 and HeLa cell lines, respectively, while it was devoid of any cytotoxicity against normal HEK 293 cells even at 200 µg/mL. 相似文献
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Gholipour Nazila Akhlaghi Mehdi Kheirabadi Amin Mokhtari Beiki Davood Geramifar Parham Yousefnia Hassan Mazidi Mohammad 《Journal of Radioanalytical and Nuclear Chemistry》2017,311(3):1811-1817
Journal of Radioanalytical and Nuclear Chemistry - The possibility of 68Ga-dextran complex formation was analyzed in an HEPES-buffered (pH = 4.5) as well as in an alkaline... 相似文献
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