scholarly journals A Generalized Kinetic Model for Compartmentalization of Organometallic Catalysis

2022 ◽  
Author(s):  
Brandon J Jolly ◽  
Nathalie H Co ◽  
Ashton R Davis ◽  
Paula L. Diaconescu ◽  
Chong Liu
Keyword(s):  
Catalytic Activity ◽  
Kinetic Model ◽  
Reactive Intermediates ◽  
Organometallic Catalysis ◽  
Generalized Kinetic Model

Compartmentalization is an attractive approach to enhance catalytic activity by retaining reactive intermediates and mitigating deactivating pathways. Such a concept has been well explored in biochemical and more recently, organometallic...

scholarly journals A Generalized Kinetic Model for Compartmentalization of Organometallic Catalysis

2021 ◽  
Author(s):  
Brandon Jolly ◽  
Chong Liu
Keyword(s):  
Kinetic Model ◽  
Organometallic Chemistry ◽  
Catalytic Performance ◽  
Side Reactions ◽  
Turnover Frequency ◽  
Organometallic Catalysis ◽  
Optimal Values ◽  
Generalized Kinetic Model ◽  
Design Guidance ◽  
Key Parameter

Compartmentalization is an attractive approach to enhance catalytic activity by retaining reactive intermediates and mitigating deactivating pathways. Such a concept has been well explored in biochemical and more recently, organometallic catalysis to ensure high reaction turnovers with minimal side reactions. However, a scarcity of theoretical framework towards confined organometallic chemistry impedes a broader utility for the implementation of compartmentalization. Herein, we report a general kinetic model and offer design guidance for a compartmentalized organometallic catalytic cycle. In comparison to a non-compartmentalized catalysis, compartmentalization is quantitatively shown to prevent the unwanted intermediate deactivation, boost the corresponding reaction efficiency (𝛾), and subsequently increase catalytic turnover frequency (𝑇𝑂𝐹). The key parameter in the model is the volumetric diffusive conductance (𝐹 ) that describes catalysts’ diffusion propensity across a compartment’s boundary. Optimal values of 𝐹 for a specific organometallic chemistry are needed to achieve maximal values of 𝛾 and 𝑇𝑂𝐹. Our model suggests a tailored compartment design, including the use of nanomaterials, is needed to suit a specific organometallic catalysis. This work provides justification and design principles for further exploration into compartmentalizing organometallics to enhance catalytic performance.

scholarly journals A Generalized Kinetic Model for Compartmentalization of Organometallic Catalysis

2021 ◽  
Author(s):  
Brandon Jolly ◽  
Nathalie Co ◽  
Ashton Davis ◽  
Paula Diaconescu ◽  
Chong Liu
Keyword(s):  
Kinetic Model ◽  
Organometallic Chemistry ◽  
Catalytic Performance ◽  
Catalytic Cycle ◽  
Side Reactions ◽  
Catalytic Systems ◽  
Organometallic Catalysis ◽  
Proper Design ◽  
Generalized Kinetic Model ◽  
Design Guidance

Compartmentalization is an attractive approach to enhance catalytic activity by retaining reactive intermediates and mitigating deactivating pathways. Such a concept has been well explored in biochemical and more recently, organometallic catalysis to ensure high reaction turnovers with minimal side reactions. However, a scarcity of theoretical framework towards confined organometallic chemistry impedes a broader utility for the implementation of compartmentalization. Herein, we report a general kinetic model and offer design guidance for a compartmentalized organometallic catalytic cycle. In comparison to a non-compartmentalized catalysis, compartmentalization is quantitatively shown to prevent the unwanted intermediate deactivation, boost the corresponding reaction efficiency (γ), and subsequently increase catalytic turnover frequency (TOF). The key parameter in the model is the volumetric diffusive conductance (F_V) that describes catalysts’ diffusion propensity across a compartment’s boundary. Optimal values of F_V for a specific organometallic chemistry are needed to achieve maximal values of γ and TOF. As illustrated in specific reaction examples, our model suggests that a tailored compartment design, including the use of nanomaterials, is needed to suit a specific organometallic catalytic cycle. This work provides justification and design principles for further exploration into compartmentalizing organometallics to enhance catalytic performance. The conclusions from this work are generally applicable to other catalytic systems that need proper design guidance in confinement and compartmentalization.

scholarly journals A generalized kinetic model for amine modification of proteins with application to phage display

BioTechniques ◽  
2009 ◽  
Vol 46 (3) ◽  
pp. 175-182 ◽  
Author(s):  
Xiaofang Jin ◽  
Jessica Rose Newton ◽  
Stephen Montgomery-Smith ◽  
George P. Smith
Keyword(s):  
Kinetic Model ◽  
Phage Display ◽  
Amine Modification ◽  
Generalized Kinetic Model

A generalized kinetic model for radical-initiated template polymerizations in dilute template systems

1991 ◽  
Vol 24 (7) ◽  
pp. 1641-1647 ◽  
Author(s):  
Y. Yong Tan ◽  
Gert O. R. Alberda van Ekenstein
Keyword(s):  
Kinetic Model ◽  
Generalized Kinetic Model

Catalytic Activity of Bulk Tungsten Carbides for Alkane Reforming. III. Reaction Mechanisms and the Kinetic Model

1997 ◽  
Vol 166 (2) ◽  
pp. 136-147 ◽  
Author(s):  
F. Garin ◽  
V. Keller ◽  
R. Ducros ◽  
A. Muller ◽  
G. Maire
Keyword(s):  
Catalytic Activity ◽  
Kinetic Model ◽  
Reaction Mechanisms ◽  
Tungsten Carbides

scholarly journals A Generalized Kinetic Model for Coupling between Stepping and ATP Hydrolysis of Kinesin Molecular Motors

2019 ◽  
Vol 20 (19) ◽  
pp. 4911 ◽  
Author(s):  
Xie ◽  
Guo ◽  
Chen
Keyword(s):  
Kinetic Model ◽  
Atpase Activity ◽  
Single Molecule ◽  
Rate Constants ◽  
Molecular Motors ◽  
Atp Hydrolysis ◽  
Power Production ◽  
Wild Type ◽  
Chemomechanical Coupling ◽  
Generalized Kinetic Model

A general kinetic model is presented for the chemomechanical coupling of dimeric kinesin molecular motors with and without extension of their neck linkers (NLs). A peculiar feature of the model is that the rate constants of ATPase activity of a kinesin head are independent of the strain on its NL, implying that the heads of the wild-type kinesin dimer and the mutant with extension of its NLs have the same force-independent rate constants of the ATPase activity. Based on the model, an analytical theory is presented on the force dependence of the dynamics of kinesin dimers with and without extension of their NLs at saturating ATP. With only a few adjustable parameters, diverse available single molecule data on the dynamics of various kinesin dimers, such as wild-type kinesin-1, kinesin-1 with mutated residues in the NLs, kinesin-1 with extension of the NLs and wild-type kinesin-2, under varying force and ATP concentration, can be reproduced very well. Additionally, we compare the power production among different kinesin dimers, showing that the mutation in the NLs reduces the power production and the extension of the NLs further reduces the power production.

scholarly journals Kinetic Modeling of a Heterogeneous Fenton Oxidative Treatment of Petroleum Refining Wastewater

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Diya'uddeen Basheer Hasan ◽  
Abdul Aziz Abdul Raman ◽  
Wan Mohd Ashri Wan Daud
Keyword(s):  
Kinetic Model ◽  
Direct Conversion ◽  
Order Kinetic ◽  
Initial Oxidation ◽  
Oxidation Step ◽  
Kinetic Rate Constants ◽  
Order Kinetic Model ◽  
Generalized Kinetic Model ◽  
Petroleum Refinery Effluent ◽  
Kinetics Of

The mineralisation kinetics of petroleum refinery effluent (PRE) by Fenton oxidation were evaluated. Within the ambit of the experimental data generated, first-order kinetic model (FKM), generalised lumped kinetic model (GLKM), and generalized kinetic model (GKM) were tested. The obtained apparent kinetic rate constants for the initial oxidation step (k2′), their final oxidation step (k1′), and the direct conversion to endproducts step (k3′) were 10.12, 3.78, and 0.24 min−1for GKM; 0.98, 0.98, and nil min−1for GLKM; and nil, nil, and >0.005 min−1for FKM. The findings showed that GKM is superior in estimating the mineralization kinetics.

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