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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 ...
Eco-friendly and potential colin esterase enzyme inhibitor agent sulfonyl hydrazone series: Synthesis, Bioactivity Screening, DFT, ADME properties, and Molecular Docking study
(Journal of Molecular Structure, 4 April 20)
In this study, new compounds containing the sulfonamide group and having inhibitory activity on cholinesterase enzymes (AChE, BChE) were synthesized. For this purpose, three new sulfonylhydrazone compounds were synthesized ...
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 ...
Synthesis and characterization of a new hybrid polymer composite (pollene@polyacrylamide) and its applicability in uranyl ions adsorption
(Springer, 2023)
In this study, polyacrylamide-pollen (P@PAA) composite adsorbent was synthesized by in situ polymerization method using
polyacrylamide hydrogel and pollen. The adsorptive properties of the P@PAA hybrid polymer composite ...
Prunus mahaleb shell as a sustainable bioresource for carminic acid removal from aqueous solution: Experimental and theoretical studies
(Elseiver, 2023)
This study focused on the performance of Prunus mahaleb shell (MS) agricultural waste, which is used as an alternative biosorbent for carminic acid (CA) removal from aqueous solution. The effects of different parameters ...
Biofabrication of copper oxide nanoparticles using Solanum tuberosum L. var. Vitelotte: characterization, antioxidant and antimicrobial activity
(Springer, 2023)
In this study, an efective and inexpensive PAA-CG composite was synthesized using
polyacrylamide (PAA) and cofee ground (CG) with the help of the in situ polymerization method. The adsorption efciency of this new composite ...
Green synthesis of reduced graphene oxide and their use on column adsorption of phenol from olive mill wastewater
(2023)
A novel reduced graphene oxide (RGO) synthesis using Verbena officinalis as a green, reducing agent was outreaching.
RGO was encapsulated in sodium alginate (SA) by cross-linking (SA-RGO beads). SA-RGO beads
have been ...
Application of chemometric modeling for ionic liquid-based ultrasonic-assisted dispersive liquid-liquid microextraction: Analysis of fosetyl-aluminum in fruit and vegetable samples
(2023)
This manuscript presents a new method for selective extraction and determination of fosetyl-aluminum in fruits and vegetable samples based on ultrasonic-assisted dispersive liquid-liquid microextraction method using ionic ...
Adsorption of 40 low molecular weight drugs on pristine and fluorinated C60 fullerenes: Ab initio, statistical and neural networks analysis
(2023)
Loading of 40 small drugs molecules with molecular weights in 47–210 g/mol range consisted of H, C, N,
O, F, S elements on C60, C60F2 and C60F48 fullerenes are studied with the density functional theory.
Adsorption ...
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies
(2023)
The synthesized (2)-(6) complexes and (2 )-(6 ) hypothetical complexes formed by attached boranic acid esters were optimized at the DFT-B3LYP/GEN level. The structural and spectroscopic properties (IR, 1H NMR , 13C NMR ...