Chemistry and Physical Chemistry-papergroup

12/24/2020

From 4′-Hydroxy-2,2′:6′,2”-Terpyridine Complex of Chromium(III) towards Cr2O3 Nanoparticles: Effects of the Calcination Temperature on the Particle Size and Morphology

Abstract The catalytic efficacy of different cesium salts of 12-tungstophosphoric acid as nanocatalysts was checked in Claisen-Schmidt condensation of aldehydes and ketones under solvent-free conditions to […]
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12/24/2020

Supramolecular structures of Ni(II) and Pt(II) based on the substituted 2, 2′: 6′, 2′′-terpyridine: Synthesis, structural characterization, luminescence and thermal properties

Abstract    Three new d8 transitions metal complexes containing substituted-2,2′:6′,2′′-terpyridine ligands of [NiII(pytpy)2]Cl2. 4H2O (pytpy = 4′- (4-pyridyl)-2,2′:6′,2′′-terpyridine) (1), [Pt(tpyOH)Cl]+Cl–. 2H2O (2) (tpyOH = 4′-hydroxy-2,2′:6′,2′′-terpyridine) and […]
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12/24/2020

Preparation of Co3O4 Nanoparticles via Thermal Decomposition of Three New Supramolecular Structures of Co(II) and (III) Containing 4′-Hydroxy-2,2′:6′,2′′-Terpyridine: Crystal Structures and Thermal Analysis Studies

Abstract    Three cobalt(II) and (III) complexes based on the 4′-hydroxy-2,2′:6′,2″-terpyridine (tpyOH) have been synthesized and structurally characterized by X-ray crystallography.  The reaction of tpyOH with […]
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12/24/2020

Synthesis, Hirshfeld surface analysis, luminescence and thermal properties of three first-row transition metal complexes containing 40-hydroxy-2,2′:6′,2″-terpyridine: Application for preparation of nano metal oxides

Abstract  A series of new mono- and bis-terpyridine complexes [Mn(tpyOH)Cl2]( 1), [Ni(tpyOH)2](PF6)2 (2) and [Zn(tpyO)(η1-OCOCH3)(H2O)].3H2O (4) containing 4′-hydroxy-2,2′:6′,20″-terpyridine (tpyOH) were synthesized and structurally characterized using elemental […]
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12/24/2020

Fischer-Tropsch synthesis in a bed reactor using Co catalyst over silica supported: Process optimization and selectivite modeling

Abstract Operating conditions affect the Fischer-Tropsch reaction and selectivity of product, while also depending on the catalyst composition and reactor type. By designing experimental methods, the […]
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12/24/2020

Predictive QSAR models for the anti-cancer activity of topoisomerase IIα catalytic inhibitors against breast cancer cell line HCT15: GA-MLR and LS-SVM modeling

Abstract Structural analysis of topoisomerase IIα catalytic inhibitors exhibited anti-tumor properties to use them in cancer therapeutic procedures. In this study, a quantitative structure-activity relationship (QSAR) […]
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12/24/2020

Design of potential anti-tumor PARP-1 inhibitors by QSAR and molecular modeling studies

Abstract Poly ADP-ribose polymerase-1 (PARP-1) inhibitors have been recognized as new agents for the treatment of patients with breast cancer type 1 (BRCA1) disorders. The quantitative […]
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12/24/2020

An investigation into the energy transfer efficiency of a two-pigment photosynthetic system using a macroscopic quantum model

Abstract Despite several different measures of efficiency that are applicable to the photosynthetic systems, a precise degree of efficiency of these systems is not completely determined. […]
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10/11/2020

Molecular dynamics simulation of a graphite-supported copper nanocluster: thermodynamic properties and gas adsorption

Abstract Molecular dynamics simulations were conducted for a cubic Cu cluster supported on a graphite bilayer. The Sutten–Chen and Lennard–Jones potentials were used for metal–metal and […]
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