Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages

2019 ◽  
Vol 10 (30) ◽  
pp. 4163-4172 ◽  
Author(s):  
Xiaolu Wu ◽  
Pengfei Zhang ◽  
Zhi Yang ◽  
Shaowen Zhang ◽  
Hao Liu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Rhodium Catalyst ◽  
Rhodium Catalysts ◽  
Cooperative Effects ◽  
Functional Derivatives

A binuclear rhodium catalyst 3b with a 2,5-phenyloxydiiminato linkage and an nbd ligand exhibits cooperative effects in terms of enhanced catalytic activity in the polymerization of phenylacetylene and its functional derivatives.

Supported Rhodium Catalysts for Ammonia-Borane Hydrolysis: Dependence of the Catalytic Activity on the Highest Occupied State of the Single Rhodium Atoms

2017 ◽  
Vol 129 (17) ◽  
pp. 4790-4796 ◽  
Author(s):  
Liangbing Wang ◽  
Hongliang Li ◽  
Wenbo Zhang ◽  
Xiao Zhao ◽  
Jianxiang Qiu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Ammonia Borane ◽  
Rhodium Catalysts ◽  
Occupied State

Immobilization of a Quinonoid Rhodium Catalyst on Silica Gel by the Surface Sol−Gel Process and Catalytic Activity for Phenylacetylene Polymerization

2009 ◽  
Vol 28 (10) ◽  
pp. 3000-3003 ◽  
Author(s):  
Sang Bok Kim ◽  
Chen Cai ◽  
William C. Trenkle ◽  
Dwight A. Sweigart
Keyword(s):  
Catalytic Activity ◽  
Silica Gel ◽  
Sol Gel ◽  
Rhodium Catalyst ◽  
Sol Gel Process

scholarly journals Retracing the evolutionary trajectory of adenine base editors using theoretical approaches

2020 ◽  
Author(s):  
Kartik L. Rallapalli ◽  
Brodie L. Ranzau ◽  
Kaushik R. Ganapathy ◽  
Alexis C. Komor ◽  
Francesco Paesani
Keyword(s):  
Molecular Dynamics ◽  
Catalytic Activity ◽  
Molecular Mechanisms ◽  
Protein Sequences ◽  
Classification Model ◽  
Evolutionary Trajectory ◽  
Cooperative Effects ◽  
Theoretical Approaches ◽  
Dynamics Simulations ◽  
Adenine Base

AbstractAdenine base editors (ABEs) have been subjected to multiple rounds of mutagenesis with the goal of optimizing their function as efficient and precise genome editing agents. Despite this ever-increasing data accumulation of the effects that these mutations have on the activity of ABEs, the molecular mechanisms defining these changes in activity remain to be elucidated. In this study, we provide a systematic interpretation of the nature of these mutations using an entropy-based classification model that relies on evolutionary data from extant protein sequences. Using this model in conjunction with experimental analyses, we identify two previously reported mutations that form an epistatic pair in the RNA-editing functional landscape of ABEs. Molecular dynamics simulations reveal the atomistic details of how these two mutations affect substrate-binding and catalytic activity, via both individual and cooperative effects, hence providing insights into the mechanisms through which these two mutations are epistatically coupled.

scholarly journals Are All Single Atoms Created Equal? Surface Density Dependent Catalytic Activity of Single Pd Atoms Supported on Ceria

2021 ◽  
Author(s):  
Yongseon Kim ◽  
Gregory Collinge ◽  
Mal Soon Lee ◽  
Konstantin Khivantsev ◽  
Sung June Cho ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Surface Density ◽  
Reaction Rate ◽  
Specific Activity ◽  
Computational Study ◽  
Single Atom ◽  
Cooperative Effects ◽  
Metal Atoms ◽  
Specific Catalytic Activity ◽  
Molecular Catalysts

The analogy between single atom catalysts (SACs) and molecular catalysts predicts that the specific catalytic activity of these systems is constant. We provide evidence that this prediction is not necessarily true. As a case in point, we show that the specific activity over ceria5 supported single Pd atoms linearly increases with metal atom density, originating from the cumulative enhancement of lattice oxygen mobility. The long-range electrostatic fingerprints (~1.5 nm) around each Pd site overlap with each other as surface Pd density increases, resulting in the observed deviation from constant specific activity. These cooperative effects exhaust previously active O atoms above a certain Pd density, leading to their permanent 10 removal and consequent drop in reaction rate. The findings of our combined experimental and computational study show that the specific catalytic activity of reducible oxide-supported single atom catalysts can be tuned by varying the surface density of single metal atoms.

Phosphorus–nitrogen–phosphorus ligands: cooperative effects between nitrogen and phosphorus substituents on catalytic activity

2004 ◽  
Vol 2 (3) ◽  
pp. 301-306 ◽  
Author(s):  
Sébastien L. Parisel ◽  
Neil D. Moorcroft ◽  
Anny Jutand ◽  
David J. Aldous ◽  
King Kuok (Mimi) Hii
Keyword(s):  
Catalytic Activity ◽  
Nitrogen And Phosphorus ◽  
Phosphorus Ligands ◽  
Cooperative Effects ◽  
Nitrogen Phosphorus

Supported Rhodium Catalysts for Ammonia-Borane Hydrolysis: Dependence of the Catalytic Activity on the Highest Occupied State of the Single Rhodium Atoms

2017 ◽  
Vol 56 (17) ◽  
pp. 4712-4718 ◽  
Author(s):  
Liangbing Wang ◽  
Hongliang Li ◽  
Wenbo Zhang ◽  
Xiao Zhao ◽  
Jianxiang Qiu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Ammonia Borane ◽  
Rhodium Catalysts ◽  
Occupied State

scholarly journals Are All Single Atoms Created Equal? Surface Density Dependent Catalytic Activity of Single Pd Atoms Supported on Ceria

2021 ◽  
Author(s):  
Yongseon Kim ◽  
Gregory Collinge ◽  
Mal Soon Lee ◽  
Konstantin Khivantsev ◽  
Sung June Cho ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Surface Density ◽  
Reaction Rate ◽  
Specific Activity ◽  
Computational Study ◽  
Single Atom ◽  
Cooperative Effects ◽  
Metal Atoms ◽  
Specific Catalytic Activity ◽  
Molecular Catalysts

The analogy between single atom catalysts (SACs) and molecular catalysts predicts that the specific catalytic activity of these systems is constant. We provide evidence that this prediction is not necessarily true. As a case in point, we show that the specific activity over ceria5 supported single Pd atoms linearly increases with metal atom density, originating from the cumulative enhancement of lattice oxygen mobility. The long-range electrostatic fingerprints (~1.5 nm) around each Pd site overlap with each other as surface Pd density increases, resulting in the observed deviation from constant specific activity. These cooperative effects exhaust previously active O atoms above a certain Pd density, leading to their permanent 10 removal and consequent drop in reaction rate. The findings of our combined experimental and computational study show that the specific catalytic activity of reducible oxide-supported single atom catalysts can be tuned by varying the surface density of single metal atoms.

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