Rational design of artificial dye-decolorizing peroxidases using myoglobin by engineering Tyr/Trp in the heme center

2017 ◽  
Vol 46 (34) ◽  
pp. 11230-11238 ◽  
Author(s):  
Le-Le Li ◽  
Hong Yuan ◽  
Fei Liao ◽  
Bo He ◽  
Shu-Qin Gao ◽  
...  
Keyword(s):  
Rational Design ◽  
Catalytic Performance ◽  
Protein Scaffold

Artificial dye-decolorizing peroxidases (DyPs) have been rationally designed using myoglobin (Mb) as a protein scaffold by engineering Tyr/Trp in the heme center, such as F43Y/F138 W Mb, which exhibited catalytic performance comparable to some native DyPs.

Optimizing electron density of nickel sulfide electrocatalysts through sulfur vacancy engineering for alkaline hydrogen evolution

2020 ◽  
Vol 8 (35) ◽  
pp. 18207-18214
Author(s):  
Dongbo Jia ◽  
Lili Han ◽  
Ying Li ◽  
Wenjun He ◽  
Caichi Liu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Electron Density ◽  
Rational Design ◽  
Nickel Sulfide ◽  
Catalytic Performance ◽  
Sulfide Catalysts ◽  
Sulfur Vacancy

A novel, rational design for porous S-vacancy nickel sulfide catalysts with remarkable catalytic performance for alkaline HER.

Improving the catalytic performance of xylanase from Bacillus circulans through structure-based rational design

2021 ◽  
pp. 125737
Author(s):  
Kyoungseon Min ◽  
Hoyong Kim ◽  
Hyun June Park ◽  
Siseon Lee ◽  
Ye Jean Jung ◽  
...  
Keyword(s):  
Rational Design ◽  
Catalytic Performance ◽  
Bacillus Circulans

Influence of Pt Size and CeO2 Morphology at the Pt-CeO2 Interface in CO Oxidation

2021 ◽  
Author(s):  
Sinmyung Yoon ◽  
Hyunwoo Ha ◽  
Jihun Kim ◽  
Eonu Nam ◽  
Mi Yoo ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Metal Nanoparticles ◽  
Rational Design ◽  
Catalytic Performance ◽  
Electronic Interactions ◽  
Oxide Supports ◽  
Metal Support ◽  
Metal Support Interactions

Understanding the inherent catalytic nature of the interface between metal nanoparticles (NPs) and oxide supports enables the rational design of metal-support interactions for high catalytic performance. Electronic interactions at the...

scholarly journals Genetically Engineered Proteins to Improve Biomass Conversion: New Advances and Challenges for Tailoring Biocatalysts

Molecules ◽  
2019 ◽  
Vol 24 (16) ◽  
pp. 2879 ◽  
Author(s):  
Lucas Ferreira Ribeiro ◽  
Vanesa Amarelle ◽  
Luana de Fátima Alves ◽  
Guilherme Marcelino Viana de Siqueira ◽  
Gabriel Lencioni Lovate ◽  
...  
Keyword(s):  
Protein Engineering ◽  
Rational Design ◽  
Biomass Conversion ◽  
Low Cost ◽  
Catalytic Performance ◽  
Genetically Engineered ◽  
Production Lines ◽  
Current Application ◽  
Powerful Approach

Protein engineering emerged as a powerful approach to generate more robust and efficient biocatalysts for bio-based economy applications, an alternative to ecologically toxic chemistries that rely on petroleum. On the quest for environmentally friendly technologies, sustainable and low-cost resources such as lignocellulosic plant-derived biomass are being used for the production of biofuels and fine chemicals. Since most of the enzymes used in the biorefinery industry act in suboptimal conditions, modification of their catalytic properties through protein rational design and in vitro evolution techniques allows the improvement of enzymatic parameters such as specificity, activity, efficiency, secretability, and stability, leading to better yields in the production lines. This review focuses on the current application of protein engineering techniques for improving the catalytic performance of enzymes used to break down lignocellulosic polymers. We discuss the use of both classical and modern methods reported in the literature in the last five years that allowed the boosting of biocatalysts for biomass degradation.

scholarly journals Rationally designed indium oxide catalysts for CO2 hydrogenation to methanol with high activity and selectivity

2020 ◽  
Vol 6 (25) ◽  
pp. eaaz2060 ◽  
Author(s):  
Shanshan Dang ◽  
Bin Qin ◽  
Yong Yang ◽  
Hui Wang ◽  
Jun Cai ◽  
...  
Keyword(s):  
Density Functional ◽  
Rational Design ◽  
Density Functional Theory Calculations ◽  
Catalytic Performance ◽  
Oxide Catalysts ◽  
Great Promise ◽  
Experimental Realization ◽  
Successful Case ◽  
Catalytic Stability ◽  
Pure Phases

Renewable energy-driven methanol synthesis from CO2 and green hydrogen is a viable and key process in both the “methanol economy” and “liquid sunshine” visions. Recently, In2O3-based catalysts have shown great promise in overcoming the disadvantages of traditional Cu-based catalysts. Here, we report a successful case of theory-guided rational design of a much higher performance In2O3 nanocatalyst. Density functional theory calculations of CO2 hydrogenation pathways over stable facets of cubic and hexagonal In2O3 predict the hexagonal In2O3(104) surface to have far superior catalytic performance. This promotes the synthesis and evaluation of In2O3 in pure phases with different morphologies. Confirming our theoretical prediction, a novel hexagonal In2O3 nanomaterial with high proportion of the exposed {104} surface exhibits the highest activity and methanol selectivity with high catalytic stability. The synergy between theory and experiment proves highly effective in the rational design and experimental realization of oxide catalysts for industry-relevant reactions.

scholarly journals Playing with covalent triazine framework tiles for improved CO2 adsorption properties and catalytic performance

2019 ◽  
Vol 10 ◽  
pp. 1217-1227 ◽  
Author(s):  
Giulia Tuci ◽  
Andree Iemhoff ◽  
Housseinou Ba ◽  
Lapo Luconi ◽  
Andrea Rossin ◽  
...  
Keyword(s):  
Carbon Capture ◽  
Rational Design ◽  
Gas Adsorption ◽  
Ambient Pressure ◽  
Complex Structure ◽  
Building Blocks ◽  
Catalytic Performance ◽  
High Specific Surface Area ◽  
Morphological Properties ◽  
Design And Synthesis

The rational design and synthesis of covalent triazine frameworks (CTFs) from defined dicyano-aryl building blocks or their binary mixtures is of fundamental importance for a judicious tuning of the chemico-physical and morphological properties of this class of porous organic polymers. In fact, their gas adsorption capacity and their performance in a variety of catalytic transformations can be modulated through an appropriate selection of the building blocks. In this contribution, a set of five CTFs (CTF1–5) have been prepared under classical ionothermal conditions from single dicyano-aryl or heteroaryl systems. The as-prepared samples are highly micro-mesoporous and thermally stable materials featuring high specific surface area (up to 1860 m2·g−1) and N content (up to 29.1 wt %). All these features make them highly attractive samples for carbon capture and sequestration (CCS) applications. Indeed, selected polymers from this series rank among the CTFs with the highest CO2 uptake at ambient pressure reported so far in the literature (up to 5.23 and 3.83 mmol·g−1 at 273 and 298 K, respectively). Moreover, following our recent achievements in the field of steam- and oxygen-free dehydrogenation catalysis using CTFs as metal-free catalysts, the new samples with highest N contents have been scrutinized in the process to provide additional insights to their complex structure–activity relationship.

scholarly journals Rational design of a scytalone dehydratase-like enzyme using a structurally homologous protein scaffold

1999 ◽  
Vol 96 (7) ◽  
pp. 3568-3571 ◽  
Author(s):  
A. E. Nixon ◽  
S. M. Firestine ◽  
F. G. Salinas ◽  
S. J. Benkovic
Keyword(s):  
Rational Design ◽  
Protein Scaffold ◽  
Homologous Protein ◽  
Scytalone Dehydratase

scholarly journals Rational Design of Dual Active Sites in a Single Protein Scaffold: A Case Study of Heme Protein in Myoglobin

ChemistryOpen ◽  
2016 ◽  
Vol 5 (3) ◽  
pp. 192-196 ◽  
Author(s):  
Xiao-Gang Shu ◽  
Ji-Hu Su ◽  
Ke-Jie Du ◽  
Yong You ◽  
Shu-Qin Gao ◽  
...  
Keyword(s):  
Active Sites ◽  
Rational Design ◽  
Heme Protein ◽  
Protein Scaffold ◽  
Single Protein

scholarly journals Engineering oxygen vacancies in Na2Ti3O7 for boosting its catalytic performance in MgH2 hydrogen storage

2021 ◽  
Author(s):  
Huanhuan Zhang ◽  
Qianqian Kong ◽  
Song Hu ◽  
Dafeng Zhang ◽  
Haipeng Chen ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Rational Design ◽  
Oxygen Vacancies ◽  
High Efficiency ◽  
Retention Rate ◽  
Storage System ◽  
Critical Role ◽  
Catalytic Performance ◽  
Sorption Kinetics ◽  
Desorption Kinetics

Abstract Rational design of high-efficiency catalysts plays a critical role in improving the hydrogen storage performances of the MgH2. Herein, flower-like Na2Ti3O7 catalyst with rich oxygen vacancies (Na2Ti3O7-Ov) was synthesized from Ti3C2-MXene and demonstrated to remarkably enhance the hydrogen storage of MgH2. Specifically, with an addition of 5 wt.% Na2Ti3O7-Ov, the initial dehydrogenation temperature of the MgH2 + 5Na2Ti3O7-Ov composite reduced substantially from 287 °C (for MgH2) to 183 °C. Moreover, the MgH2 + 5Na2Ti3O7-Ov composite exhibited fast hydrogen ab/desorption kinetics and superb reversible hydrogen storage performance with a retention rate of 90.1 % after 10 cycles attributed to the higher structural stability of Na2Ti3O7-Ov. Both experimental and theoretical results confirm that the oxygen vacancies in Na2Ti3O7-Ov reduce the reaction activation energy during MgH2 dehydrogenation, hence accounting for the excellent hydrogen sorption kinetics. This work would lead to new design and development of advanced defect-based nano-catalysts for the MgH2 hydrogen storage system.

Elucidating the Reaction Pathway of Crystalline Multi-metal Borides for Highly Efficient Oxygen-Evolving Electrocatalysts

2022 ◽  
Author(s):  
Huiyang Gou ◽  
Shijing Zhao ◽  
Shishuai Xu ◽  
Jinlei Yao ◽  
Ning Chen ◽  
...  
Keyword(s):  
Renewable Energy ◽  
Rational Design ◽  
Reaction Pathway ◽  
Energy Systems ◽  
Fundamental Principle ◽  
Catalytic Performance ◽  
Renewable Energy Systems ◽  
Highly Efficient ◽  
Metal Borides ◽  
Oxygen Evolving

Understanding the fundamental principle of catalytic performance and the mechanism of multimetal-based electrocatalysts is essential for the rational design of advanced renewable energy systems. Here, the highly crystalline MMMoB4 (M=Fe,...

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