Articles with "mechanistic study" as a keyword



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Mechanistic study of the antibacterial potential of the prenylated flavonoid auriculasin against Escherichia coli

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Published in 2022 at "Archiv der Pharmazie"

DOI: 10.1002/ardp.202200360

Abstract: Bacterial resistance is spreading in an alarming manner, outpacing the rate of development of new antibacterial agents and surging the need for effective alternatives. Prenylated flavonoids are a promising class of natural antibiotics with reported… read more here.

Keywords: gyr; escherichia coli; prenylated flavonoids; mechanistic study ... See more keywords
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Mechanistic Study on the Selective Oxidation of Acrolein to Acrylic Acid concerning the Role of Water

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Published in 2020 at "ChemCatChem"

DOI: 10.1002/cctc.201902348

Abstract: The activity of Mo/V/W mixed oxide catalyst in the gas phase oxidation of acrolein to acrylic acid is tremendously influenced by addition of fed water. This effect of water is investigated and connected to the… read more here.

Keywords: oxidation; water; acrylic acid; mechanistic study ... See more keywords
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A mechanistic study of VO2 reduction on graphene-based electrodes: insights from computational quantum chemistry.

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Published in 2023 at "ChemSusChem"

DOI: 10.1002/cssc.202300167

Abstract: The identity of active sites for redox reactions within vanadium redox flow batteries (VRFB) are still controversial despite decades of research into the matter. Here, we use density functional theory to examine the promise of… read more here.

Keywords: vo2 reduction; reaction pathway; reaction; study vo2 ... See more keywords
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Mechanistic study and design of porphyrin derivatives for inducing the triplet state of perylene bismide

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Published in 2017 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2016.09.023

Abstract: Abstract Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations based on B3LYP functional were carried out to understand the experimentally observed photophysical processes in the porphyrin-perylene bisimide ( HTPP - PDI ) dyad that… read more here.

Keywords: study design; htpp pdi; triplet; mechanistic study ... See more keywords
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Mechanistic study of antimonate reduction by Escherichia coli W3110.

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Published in 2021 at "Environmental pollution"

DOI: 10.1016/j.envpol.2021.118258

Abstract: Microbial-assisted antimonate [Sb(V)] reduction immobilizes this redox-sensitive metalloid in the subsurface. Most indigenous aerobes in antimony (Sb)-contaminated areas do not contain Sb(V)-reducing genes but can resist high levels of Sb(V) threat. Herein, to unravel the… read more here.

Keywords: reduction; antimonate reduction; escherichia coli; coli w3110 ... See more keywords
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Kinetics and mechanistic study of polynuclear platinum(II) polypyridyl complexes; A paradigm shift in search of new anticancer agents

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Published in 2018 at "Inorganica Chimica Acta"

DOI: 10.1016/j.ica.2017.08.065

Abstract: Abstract This paper reports on a mechanistic interaction between mononuclear and polynuclear platinum(II) complexes viz; phenyl-dichlorido-2,2′-dipyridinylaminediaquaplatinum(II) (PtC1); di-2-pyridylaminomethylbenzenediaquaplatinum(II) (PtC2); 1,3,5-tris(2,2′dipyridylamino)-benzenehexaquaplatinum(II) (PtC3); 1,3,5-tris(2,2′dipyridylmethylamino)benzenehexaquaplatinum(II) (PtC4); and 2,4,6-tris(2,2′-dipyridylamino)-1,3,5-triazinehexaquaplatinum(II) (PtC5) with thiourea nucleophiles under pseudo-first-order conditions as a function of… read more here.

Keywords: polynuclear platinum; study; mechanistic study; study polynuclear ... See more keywords
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A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria

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Published in 2020 at "Inorganica Chimica Acta"

DOI: 10.1016/j.ica.2020.119863

Abstract: Abstract Chemoresistance of Pt(II) based therapy is related to the extensive repair of modified DNA in the nucleus as a consequence of the nucleotide excision repair mechanism. Delivering Pt(II) complexes to the mitochondria to attack… read more here.

Keywords: ch2ph3p group; computational mechanistic; mechanistic study; ch2ph3p ... See more keywords
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Mechanistic study of Cu-Ni bimetallic catalysts supported by graphene derivatives for hydrogenation of CO2 to methanol

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Published in 2021 at "Journal of CO2 Utilization"

DOI: 10.1016/j.jcou.2021.101542

Abstract: Abstract The Cu-Ni bimetallic catalyst supported by graphene derivatives was employed to explore the reaction mechanisms of converting CO2 to methanol. Their properties were analyzed by Raman, XRD, XPS, TG-DSC, TEM and CO2-TPD. Cu or… read more here.

Keywords: graphene derivatives; co2; co2 methanol; mechanistic study ... See more keywords
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A model cathode for mechanistic study of organosulfide electrochemistry in Li-organosulfide batteries

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Published in 2022 at "Journal of Energy Chemistry"

DOI: 10.1016/j.jechem.2021.08.045

Abstract: Abstract Organosulfides offer new opportunities for high performance lithium-sulfur (Li-S) batteries because of materials abundance, versatile structures and unique properties. Yet, their redox kinetics as well as cycling performance need to be further improved. Employing… read more here.

Keywords: model cathode; electrochemistry; cathode mechanistic; chemistry ... See more keywords
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Mechanistic study on silver-catalyzed direct amination of unactivated CH bond

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Published in 2017 at "Journal of Organometallic Chemistry"

DOI: 10.1016/j.jorganchem.2017.01.006

Abstract: Abstract A systematic investigation has been conducted into the mechanism for the silver-catalyzed direct amination of unactivated C H bonds in triflamides by density functional theory (DFT). The present work is in favor of the… read more here.

Keywords: silver catalyzed; direct amination; mechanistic study; amination unactivated ... See more keywords
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Mechanistic study of the direct oxidative photocatalytic aerobic C H/C H coupling of azines with heteroarenes

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Published in 2019 at "Journal of Photochemistry and Photobiology A: Chemistry"

DOI: 10.1016/j.jphotochem.2018.09.029

Abstract: Abstract Experimental facts on the mechanism of the direct oxidative photocatalytic C H/C H coupling of azines with (hetero)aromatic nucleophiles, proceeding in the presence of TiO2 as a photocatalyst, have been obtained by using EPR… read more here.

Keywords: direct oxidative; study direct; coupling azines; oxidative photocatalytic ... See more keywords