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Catalysis In Micellar And Macromolecular Systems

Combined experimental thin films, TDDFT-DFT theoretical method, and spin effect on [PEG-H2O/ZrO2+MgO]h hybrid nanofluid flow with higher chemical rate

Current investigation emphasizes the evaluation of entropy in a porous medium of Williamson nanofluid (WNF) flow past an exponentially extending horizontal plate featuring Parabolic Trough Solar Collector (PTSC). Two kinds of nanofluids such as copper-methanol (Cu-MeOH) and alumina-methanol (Al2O3-MeOH) were tested, discussed and plotted graphically. The fabricated nanoparticles are studied using different techniques, including TDDFT/DMOl3 method as simulated and SEM measurements as an experimental method. The centroid lengths of the dimer are 3.02 Å, 3.27 Å, and 2.49 Å for (Cu-MeOH), (Al2O3-MeOH), and (Cu-MeOH-αAl-MOH), respectively. Adequate similarity transformations were applied to convert the partial differential equation (PDEs) into nonlinear ordinary differential equations (ODEs) with the corresponding boundary constraints. An enhancement in Brinkmann and Reynolds numbers increases the overall system entropy. WNF parameter enhances the heat rate in PTSC. The thermal efficiency gets elevated for Cu-MeOH than that of Al2O3-MeOH among 0.8% at least and 6.6% in maximum for varying parametric values. 

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Experimental and TDDFT materials simulation of thermal characteristics and entropy optimized of Williamson Cu-methanol and Al2O3-methanol nanofluid flowing through solar collector

Highly facilitated synthesis of phenyl(tetramethyl)acridinedione pharmaceuticals by a magnetized nanoscale catalytic system, constructed of GO, Fe3O4 and creatine

Photo-Difunctionalization and Photo-Oxidative Cleavage of the C–C Double Bond of Styrenes in the Presence of Nanosized Cadmium Sulfide (CdS) as a Highly Efficient Photo-Induced Reusable Nanocatalyst

Natural bond orbital analysis, salvation, and substituent effects of electron-releasing (–CH3, –OH) and electron-withdrawing (–Cl, –NO2, –CF3) groups at para positions on the molecular structure of

https://journals.sagepub.com/doi/pdf/10.1177/1747519820932091

Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and substituent effects

In this work, a green, simple, and highly efficient procedure for the preparation of 1,8-dioxo-octahydroxanthene and 1,8-dioxo-decahydroacridine derivatives (as biologically active heterocycles, fluorescence materials and Pharmaceutical compounds) is described. Sulfonated polyethylene glycol (PEG-SO3H) has been used as an efficient and reusable catalyst for the one-pot multi component domino condensation reaction of dimedone and an aromatic aldehyde without/and a primary amine. The reactions were completed at 80°C in water as green solvent. Using this procedure, all the products were obtained in good to excellent yields. The catalyst has been recovered and reused several times without any lose of reactivity.

Sulfonated Polyethylene Glycol (PEG-SO3H) as Eco-Friendly and Potent Water Soluble Solid Acid for Facile and Green Synthesis of 1,8-Dioxo-Octahydroxanthene and 1,8-Dioxo-Decahydroacridine Derivatives

Marzieh Miar

Papers

Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and substituent effects

Sulfonated Polyethylene Glycol (PEG-SO3H) as Eco-Friendly and Potent Water Soluble Solid Acid for Facile and Green Synthesis of 1,8-Dioxo-Octahydroxanthene and 1,8-Dioxo-Decahydroacridine Derivatives