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Now showing items 11-20 of 25
Applications of the Effectiveness of Corrosion Inhibitors with Computational Methods and Molecular Dynamics Simulation
(26.07.2022)
Many experts working in the field of corrosion work in laboratories experimentally
with long-term procedures and high costs by making changes in the structures
of new corrosion inhibitors or existing inhibitors. Advances ...
Development process for ecofriendly corrosion inhibitors
(26.07.2022)
The metallic materials are main used materials,
because, their physical properties, such as
electrical conduction, thermal conduction, and
mechanical performances. The steel based
metallic materials are most common in ...
Synthesis, characterization, crystallographic aspects, Fukui function, and photodynamic antifungal chemotherapy investigation of Cd (II)-tricyanomethanide coordination polymer: Insights from DFT
(Inorganic Chemistry Communications, 8 July 202)
This study delves into the synthesis, crystal structure, structural topology, photodynamic antifungal therapy (PACT), and DFT-based investigations of one [Cd(TCM)2]n coordination polymer (TCM = tricyanomethanide). The ...
In vitro cytotoxic effects, in silico studies, some metabolic enzymes inhibition, and vibrational spectral analysis of novel β-amino alcohol compounds
(Journal of Molecular Structure, 8 October )
In this study, an efficient single-step method for the preparation of β-amino alcohols ( 1 –3 ) in aqueous media was applied. The aim was to investigate the cytotoxic activity of Compounds 1, 2 and 3 in neu- roblastoma ...
Moderate DNA and high SARS-CoV-2 spike protein affinity of oxidovanadium(IV) complexes of 2-furoic acid hydrazones: In silico and in vitro approach
(Journal of Molecular Structure, 1 Septembe)
The interaction of five neutral heteroleptic octahedral paramagnetic mononuclear oxidovanadium(IV) complexes of general composition [VIVO(bpy)L], where L is a dianionic tridentate ONO-donor hydrazone ligand derived from ...
Biosorption of Rhodamine B dye from aqueous solution by Rhus coriaria L. plant: Equilibrium, kinetic, thermodynamic and DFT calculations
(Journal of Molecular Structure, 16 Septemb)
Water-soluble basic rhodamine B (RhB) was adsorbed onto fruit powders of Rhus coriaria L. (Anacar- diaceae), sumac in batch reactions. Adsorption was optimized by employing concentration, pH, and time parameters. Experimental ...
Synthesis, characterization, chemical and biological activities of 4-(4-methoxyphenethyl)-5- benzyl-2-hydroxy-2H-1,2,4-triazole-3(4H)-one phthalocyanine derivatives
(Inorganica Chimica Acta, 23 July 20)
Different properties of phthalocyanine compounds can be measured both theoretically and experimentally. In this study, tetra substituted phthalocyanines (H2 (2) and CuII (3) were performed using 4-(4-(4-methoxyphenethyl) ...
In vitro cytotoxic effects, in silico studies, some metabolic enzymes inhibition, and vibrational spectral analysis of novel β-amino alcohol compounds
(Elsevier, 2023/2/5)
In this study, an efficient single-step method for the preparation of β-amino alcohols ( 1 –3 ) in aqueous
media was applied. The aim was to investigate the cytotoxic activity of Compounds 1, 2 and 3 in neu-
roblastoma ...
Corrosion inhibition of Carbon Steel using a new morpholine-based ligand during acid pickling: Experimental and theoretical studies
(elsevier, 12.12.2022)
Here, a novel, relatively inexpensive Schiff base ligand (HL) has been studied as a corrosion inhibitor for the
protection of steel in acidic solution. Different concentrations (0–25 ppm) of HL were added to the test ...
Molecular hybrids integrated with imidazole and hydrazone structural motifs: Design, synthesis, biological evaluation, and molecular docking studies
(elsevier, 03.10.2023)
In the present work, a series of compounds containing imidazole and hydrazone structural frameworks were
synthesized and characterized using various spectral techniques, including 1H NMR, 13C NMR, FTIR, and HRMS. Synthesized ...