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1.
Dalton Trans ; 51(18): 7255-7267, 2022 May 10.
Article in English | MEDLINE | ID: mdl-35475451

ABSTRACT

A new coordination polymer based on the sulphate-capped pentamolybdate unit has been synthesized from the reaction of {Mo3S7Br6}2- with copper(II) bromide and pyridine, in DMF. The as-synthesized compound, formulated as [CuII(C5H5N)4]3[{MoVI5O15(SO4)2}{CuII(C5H5N)3(DMF)(H2O)}][MoVI5O15(SO4)2]·2DMF (1), crystallizes in the monoclinic space group of P21/c. This compound has a one-dimensional double-chain coordination polymeric structure, composed of the pentameric {MoVI5O15(SO4)2} and the {CuII(C5H5N)4} units, and has been characterized in the solid-state with single-crystal and powder X-ray diffraction, infrared and optical spectroscopy, as well as thermal and magnetic studies. Due to its unique arrangement, the compound is observed to be nanoporous in nature, occupied by a co-crystallized DMF molecule. Surface area measurements confirm the presence of nano-sized pores within the compound. Variable temperature P-XRD studies show the framework to be stable up to a temperature of at least 100 °C. Due to its rigid framework and the presence of nano-sized pores, the compound was extensively studied as a catalyst for oxidative desulphurization of model oil and commercial diesel. The compound not only shows excellent performance for the removal of recalcitrant sulphur components, such as dibenzothiophene (DBT) in fuel oil (∼100% removal), but is also observed to show excellent turn-over-numbers, regeneration, and reproducibility during the catalytic process.

2.
Eur J Med Chem ; 155: 263-274, 2018 Jul 15.
Article in English | MEDLINE | ID: mdl-29890388

ABSTRACT

A simple and green synthesis of some fluorinated chalcone-triazole hybrids from propargylated chalcones and organic azides catalyzed by cellulose supported copper nanoparticles click reaction is reported. All the synthesized compounds were well characterized by various analytical and spectroscopic methods. The X-rays crystallographic study of compounds 6k revealed the self assembling properties. The antimicrobial screening results of all the synthesized compounds revealed that most of the triazole hybrids exhibited significant efficacy against tested bacterial and fungal strains. The activity results showed the synergistic effect of biological activity when two pharmacophoric units, i.e. chalcone and 1,2,3-triazole are conjugated. Further, docking simulation of the most active compounds 6p into Escherichia coli topoisomerase II DNA Gyrase B was also carried out.


Subject(s)
Anti-Bacterial Agents/pharmacology , Antifungal Agents/pharmacology , Chalcone/pharmacology , Triazoles/pharmacology , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/chemistry , Antifungal Agents/chemical synthesis , Antifungal Agents/chemistry , Aspergillus niger/drug effects , Bacillus subtilis/drug effects , Candida albicans/drug effects , Chalcone/chemical synthesis , Chalcone/chemistry , Crystallography, X-Ray , Dose-Response Relationship, Drug , Escherichia coli/drug effects , Halogenation , Microbial Sensitivity Tests , Models, Molecular , Molecular Structure , Pseudomonas aeruginosa/drug effects , Staphylococcus epidermidis/drug effects , Structure-Activity Relationship , Triazoles/chemical synthesis , Triazoles/chemistry
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