Computational Kinetic Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic: Effect of Nucleophilicity of Thiols on the Catalytic Activity

2017 ◽  
Vol 122 (1) ◽  
pp. 364-374 ◽  
Author(s):  
Ramesh Kheirabadi ◽  
Mohammad Izadyar ◽  
Mohammad Reza Housaindokht
Keyword(s):  
Catalytic Activity ◽  
Glutathione Peroxidase ◽  
Kinetic Modeling ◽  
Catalytic Cycle

Computational kinetic modeling of the selenol catalytic activity as the glutathione peroxidase nanomimic

2016 ◽  
Vol 409 ◽  
pp. 108-114 ◽  
Author(s):  
Ramesh Kheirabadi ◽  
Mohammad Izadyar ◽  
Mohammad Reza Housiandokht
Keyword(s):  
Catalytic Activity ◽  
Glutathione Peroxidase ◽  
Kinetic Modeling

Synthesis of a Water-Soluble Ruthenium Complex and Its Catalytic Activity for Acceptorless Alcohol Dehydrogenation in Aqueous Medium

Synlett ◽  
2018 ◽  
Vol 29 (12) ◽  
pp. 1644-1648 ◽  
Author(s):  
Senthilkumar Muthaiah ◽  
Anita Bhatia
Keyword(s):  
Catalytic Activity ◽  
Aqueous Medium ◽  
Ruthenium Complex ◽  
Water Soluble ◽  
Catalytic Cycle ◽  
Secondary Alcohols ◽  
Atom Economy ◽  
Hydrogen Acceptor ◽  
Alcohol Dehydrogenation ◽  
Acceptorless Alcohol Dehydrogenation

The synthesis of a ruthenium complex bearing a PN-chelating ligand is described. The complex, in the presence of KOH, enabled the synthesis of ketones from secondary alcohols in the absence of a hydrogen acceptor in aqueous medium. This synthetic protocol, which uses water as the medium, is green and has a high atom economy as it avoids the use of an acceptor and produces hydrogen as the sole ­byproduct. Mechanistic investigations revealed that the catalytic cycle involves a phosphine dissociative pathway.

A smart artificial glutathione peroxidase with temperature responsive activity constructed by host–guest interaction and self-assembly

RSC Advances ◽  
2014 ◽  
Vol 4 (48) ◽  
pp. 25040-25050 ◽  
Author(s):  
Yanzhen Yin ◽  
Shufei Jiao ◽  
Chao Lang ◽  
Junqiu Liu
Keyword(s):  
Catalytic Activity ◽  
Glutathione Peroxidase ◽  
Significant Role ◽  
Self Assembly ◽  
The Self ◽  
Catalytic Behavior ◽  
Temperature Responsive ◽  
Blending Process ◽  
Self Assembled

A smart supramolecular artificial glutathione peroxidase (GPx) with tunable catalytic activity was prepared based on host–guest interaction and a blending process. The change of the self-assembled structure of SGPxmax during the temperature responsive process played a significant role in altering the temperature responsive catalytic behavior.

Stable selones in glutathione-peroxidase-like catalytic cycle of selenonicotinamide derivative

2014 ◽  
Vol 12 (15) ◽  
pp. 2404-2412 ◽  
Author(s):  
Parashiva Prabhu ◽  
Beena G. Singh ◽  
Masato Noguchi ◽  
Prasad P. Phadnis ◽  
Vimal K. Jain ◽  
...  
Keyword(s):  
Enzyme Activity ◽  
Glutathione Peroxidase ◽  
Exchange Reaction ◽  
Catalytic Cycle ◽  
Sulfur Exchange

Stable selone formation in 2,2′-diselenobis[3-amidopyridine], reduces unwanted sulfur exchange reaction in glutathione peroxidase like catalytic cycle and enhances its enzyme activity.

scholarly journals Downstream Paradigm in Enamine Catalysis: Comment on “On Stereocontrol in Organocatalytic α-Chlorinations of Aldehydes”

2021 ◽  
Author(s):  
Jordi Bures ◽  
Alan Armstrong ◽  
Donna Blackmond
Keyword(s):  
Kinetic Modeling ◽  
Catalytic Cycle ◽  
Enamine Catalysis

<p>We present kinetic modeling results in order to evaluate different mechanistic proposals that have been presented concerning the role of “downstream intermediates” in enamine catalysis. The focus of the debate is the identity and role of aminal intermediates. Are the aminals <i>syn</i> or are they <i>anti</i>, or are both observed? Do they lie on the catalytic cycle, as we suggest, or are they off-cycle species?</p>

Facile Construction of Microgel based Biomimetic Glutathione Peroxidase with Temperature Responsive Catalytic Activity

2019 ◽  
Vol 4 (41) ◽  
pp. 12143-12150
Author(s):  
Shufei Jiao ◽  
Xingtang Liang ◽  
Ruirui Zhang ◽  
Shuming Zhong ◽  
Yunying Zheng ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Glutathione Peroxidase ◽  
Temperature Responsive

Mechanistic insight into Ni-mediated decarbonylation of unstrained ketones: the origin of decarbonylation catalytic activity

2018 ◽  
Vol 5 (15) ◽  
pp. 2332-2339 ◽  
Author(s):  
Langhuan Jiang ◽  
Fang Huang ◽  
Qiong Wang ◽  
Chuanzhi Sun ◽  
Jianbiao Liu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Calculation Method ◽  
Dft Calculation ◽  
Catalytic Cycle ◽  
Mechanistic Insight ◽  
Insight Into

The origin of the Ni-mediated decarbonylation catalytic cycle of unstrained ketones was explored using the DFT calculation method.

scholarly journals The role of methoxy substituents in regulating the activity of selenides that serve as spirodioxyselenurane precursors and glutathione peroxidase mimetics

2016 ◽  
Vol 94 (4) ◽  
pp. 305-311 ◽  
Author(s):  
David J. Press ◽  
Thomas G. Back
Keyword(s):  
Hydrogen Peroxide ◽  
Catalytic Activity ◽  
Glutathione Peroxidase ◽  
Methoxy Group ◽  
Steric Effects ◽  
Disulfide Formation ◽  
Excess Hydrogen ◽  
Meta Position ◽  
Methoxy Groups

A series of o-(hydroxymethyl)phenyl selenides containing single or multiple methoxy substituents was synthesized, and the rate at which each compound catalyzed the oxidation of benzyl thiol to its disulfide with excess hydrogen peroxide was measured. This assay provided the means for comparing the relative abilities of the selenides to mimic the antioxidant selenoenzyme glutathione peroxidase. The mechanism for catalytic activity involves oxidation of the selenides to their corresponding selenoxides with hydrogen peroxide, cyclization to spirodioxyselenuranes, followed by reduction with two equivalents of thiol to regenerate the original selenide with concomitant disulfide formation. A single p-methoxy group on each aryl moiety afforded the highest catalytic activity, while methoxy groups in the meta position had little effect compared to the unsubstituted selenide, and o-methoxy groups suppressed activity. The installation of multiple methoxy groups on each aryl moiety provided no improvement. These results can be rationalized on the basis of dominating mesomeric and steric effects of the p- and o-substituents, respectively.

scholarly journals Investigation of the catalytic activity and reaction kinetic modeling of two antimony catalysts in the synthesis of poly(ethylene furanoate)

2021 ◽  
Author(s):  
Lazaros Papadopoulos ◽  
Alexandra Zamboulis ◽  
Nejib Kasmi ◽  
Mohamed Wahbi ◽  
Christina Nannou ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Kinetic Modeling ◽  
Reaction Kinetic ◽  
Biobased Polymers ◽  
Poly Ethylene

In the last decades, the interest in the synthesis and development of novel biobased polymers with interesting properties, able to compete with the existing petroleum-based polymers has grown exponentially. 2,5-furandicarboxylic...

scholarly journals Reduction of Nitrobenzene to Aniline by CO/H2O in the Presence of Palladium Nanoparticles

Catalysts ◽  
2019 ◽  
Vol 9 (5) ◽  
pp. 404 ◽  
Author(s):  
Agnieszka Krogul-Sobczak ◽  
Jakub Cedrowski ◽  
Patrycja Kasperska ◽  
Grzegorz Litwinienko
Keyword(s):  
Catalytic Activity ◽  
Palladium Nanoparticles ◽  
Metallic Nanoparticles ◽  
Active Species ◽  
Catalytic Cycle ◽  
Heterocyclic Ligands ◽  
Aromatic Nitrocompounds ◽  
First Time ◽  
Transient Intermediate

The transformation of aromatic nitrocompounds into amines by CO/H2O is catalyzed by palladium(II) complexes. Recently, we have proposed that the catalytic cycle includes Pd0 as the transient intermediate and herein, for the first time, we describe the application of palladium nanoparticles (PdNPs) stabilized by monodentate N-heterocyclic ligands as nanocatalysts facilitating the reduction of Ar–NO2 into Ar–NH2 by CO/H2O. Among the series—Pd(II) complexes, PdNPs and commercial Pdblack—the highest catalytic activity was observed for PdNPs (3.0 ± 0.5 nm) stabilized by 4-Me-pyridine in the presence of 2-Cl-pyridine. The results may be helpful for mechanistic considerations on the role of metallic nanoparticles as active species in other organic processes.

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