A New Insight into Catalytic Ozonation with Nanosized Ce–Ti Oxides for NOxRemoval: Confirmation of Ce–O–Ti for Active Sites

2015 ◽  
Vol 54 (7) ◽  
pp. 2012-2022 ◽  
Author(s):  
Jie Ding ◽  
Qin Zhong ◽  
Shule Zhang
Keyword(s):  
Active Sites ◽  
Catalytic Ozonation ◽  
Ti Oxides ◽  
Insight Into

scholarly journals Enhanced catalytic ozonation of ibuprofen using a 3D structured catalyst with MnO2 nanosheets on carbon microfibers

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Guhankumar Ponnusamy ◽  
Hajar Farzaneh ◽  
Yongfeng Tong ◽  
Jenny Lawler ◽  
Zhaoyang Liu ◽  
...  
Keyword(s):  
Removal Efficiency ◽  
Active Sites ◽  
Low Cost ◽  
Three Dimensional ◽  
Industrial Applications ◽  
Catalytic Ozonation ◽  
Heterogeneous Catalytic ◽  
Structured Catalyst ◽  
Dimensional Network ◽  
Carbon Microfibers

AbstractHeterogeneous catalytic ozonation is an effective approach to degrade refractory organic pollutants in water. However, ozonation catalysts with combined merits of high activity, good reusability and low cost for practical industrial applications are still rare. This study aims to develop an efficient, stable and economic ozonation catalyst for the degradation of Ibuprofen, a pharmaceutical compound frequently detected as a refractory pollutant in treated wastewaters. The novel three-dimensional network-structured catalyst, comprising of δ-MnO2 nanosheets grown on woven carbon microfibers (MnO2 nanosheets/carbon microfiber), was synthesized via a facile hydrothermal approach. Catalytic ozonation performance of Ibuprofen removal in water using the new catalyst proves a significant enhancement, where Ibuprofen removal efficiency of close to 90% was achieved with a catalyst loading of 1% (w/v). In contrast, conventional ozonation was only able to achieve 65% removal efficiency under the same operating condition. The enhanced performance with the new catalyst could be attributed to its significantly increased available surface active sites and improved mass transfer of reaction media, as a result of the special surface and structure properties of this new three-dimensional network-structured catalyst. Moreover, the new catalyst displays excellent stability and reusability for ibuprofen degradation over successive reaction cycles. The facile synthesis method and low-cost materials render the new catalyst high potential for industrial scaling up. With the combined advantages of high efficiency, high stability, and low cost, this study sheds new light for industrial applications of ozonation catalysts.

Reactive Oxygen Species and Catalytic Active Sites in Heterogeneous Catalytic Ozonation for Water Purification

2020 ◽  
Vol 54 (10) ◽  
pp. 5931-5946 ◽  
Author(s):  
Guangfei Yu ◽  
Yuxian Wang ◽  
Hongbin Cao ◽  
He Zhao ◽  
Yongbing Xie
Keyword(s):  
Reactive Oxygen Species ◽  
Water Purification ◽  
Active Sites ◽  
Reactive Oxygen ◽  
Catalytic Ozonation ◽  
Oxygen Species ◽  
Heterogeneous Catalytic ◽  
Catalytic Active Sites

scholarly journals Insight into Inhibitor Binding in the Eukaryotic Proteasome: Computations of the 20S CP

2018 ◽  
Vol 19 (12) ◽  
pp. 3858
Author(s):  
Milan Hodošček ◽  
Nadia Elghobashi-Meinhardt
Keyword(s):  
Electrostatic Interactions ◽  
Active Sites ◽  
Sampling Period ◽  
Md Simulations ◽  
Structural Features ◽  
Relaxation Dynamics ◽  
Inhibitor Binding ◽  
Computational Analyses ◽  
Insight Into ◽  
Proteolytic Chamber

A combination of molecular dynamics (MD) simulations and computational analyses uncovers structural features that may influence substrate passage and exposure to the active sites within the proteolytic chamber of the 20S proteasome core particle (CP). MD simulations of the CP reveal relaxation dynamics in which the CP slowly contracts over the 54 ns sampling period. MD simulations of the SyringolinA (SylA) inhibitor within the proteolytic B 1 ring chamber of the CP indicate that favorable van der Waals and electrostatic interactions account for the predominant association of the inhibitor with the walls of the proteolytic chamber. The time scale required for the inhibitor to travel from the center of the proteolytic chamber to the chamber wall is on the order of 4 ns, accompanied by an average energetic stabilization of approximately −20 kcal/mol.

scholarly journals Electrochemically Induced In-Situ Generated Co(OH)2 Nanoplates to Promote the Volmer Process Toward Efficient Alkaline Hydrogen Evolution Reaction

2020 ◽  
Author(s):  
Hong Liu ◽  
Jian-Jun Wang ◽  
Li-Wen Jiang ◽  
Yuan Huang ◽  
Bing Bing Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Water Electrolysis ◽  
Water Dissociation ◽  
Alkaline Water Electrolysis ◽  
Additional Water ◽  
Dissociation Step ◽  
Insight Into

<p>Hydrogen production via alkaline water electrolysis is of significant interest. However, the additional water dissociation step makes the Volmer step a relatively more sluggish kinetics and consequently leads to a slower reaction rate than that in acidic solution. Herein, we demonstrate an effective strategy that Co(OH)<sub>2</sub> can promote the Volmer process by accelerating water dissociation and enhance the electrocatalytic performance of CoP toward alkaline hydrogen evolution reaction. The Co(OH)<sub>2</sub> nanoplates are electrochemically induced in-situ generated to form a nanotree-like structure with porous CoP nanowires, endowing the hybrid electrocatalyst with superior charge transportation, more exposed active sites, and enhanced reaction kinetics. This strategy may be extended to <a></a><a>other phosphides and chalcogenides </a>and provide insight into the design and fabrication of efficient alkaline HER catalysts.</p>

scholarly journals Insight into the Rate-Determining Step and Active Sites in the Fischer–Tropsch Reaction over Cobalt Catalysts

ACS Catalysis ◽  
2019 ◽  
Vol 9 (5) ◽  
pp. 4189-4195 ◽  
Author(s):  
Robert Pestman ◽  
Wei Chen ◽  
Emiel Hensen
Keyword(s):  
Active Sites ◽  
Cobalt Catalysts ◽  
Fischer Tropsch ◽  
Rate Determining Step ◽  
Insight Into

scholarly journals A New Insight into the Comonomer Effect through NMR Analysis in Metallocene Catalysed Propene–co–1-Nonene Copolymers

Polymers ◽  
2019 ◽  
Vol 11 (8) ◽  
pp. 1266
Author(s):  
Qiong Wu ◽  
Alberto García-Peñas ◽  
Rosa Barranco-García ◽  
María Luisa Cerrada ◽  
Rosario Benavente ◽  
...  
Keyword(s):  
Active Sites ◽  
Nmr Analysis ◽  
Reaction Parameters ◽  
Transfer Processes ◽  
Detailed Explanation ◽  
Selective Interaction ◽  
End Groups ◽  
Alpha Olefin ◽  
Kinetic Phenomenon ◽  
Insight Into

The “comonomer effect” is an intriguing kinetic phenomenon in olefin copolymerization that still remains without a detailed explanation. It typically relates to the rate of enhancement undergone in ethylene and propene catalytic polymerization just by adding small fractions of an alpha-olefin. The difficulty lies in the fact that changes caused by the presence of the comonomer in reaction parameters are so conspicuous that it is really difficult to pin down which of them is the primary cause and which ones are side factors with marginal contribution to the phenomenon. Recent investigations point to the modification of the catalyst active sites as the main driving factor. In this work, the comonomer effect in the metallocene copolymerization of propene and 1-nonene is analysed and correlated to the comonomer role in the termination of the chain-growing process. The associated termination mechanisms involved furnish most of chain-free active sites, in which the selective interaction of the comonomer was proposed to trigger the insertion of monomers. A thorough characterisation of chain-end groups by means of the 1H NMR technique allows for detailing of specific transfer processes, ascribed to comonomer insertions, as well as evidencing the influence of the growing chain’s microstructure over the different termination processes available.

Nanocarbon-Based Catalytic Ozonation for Aqueous Oxidation: Engineering Defects for Active Sites and Tunable Reaction Pathways

ACS Catalysis ◽  
2020 ◽  
Vol 10 (22) ◽  
pp. 13383-13414
Author(s):  
Yuxian Wang ◽  
Xiaoguang Duan ◽  
Yongbing Xie ◽  
Hongqi Sun ◽  
Shaobin Wang
Keyword(s):  
Active Sites ◽  
Catalytic Ozonation ◽  
Reaction Pathways ◽  
Aqueous Oxidation

Insight into the key active sites of afChiA1 based on molecular dynamics simulations and free energy calculations

2016 ◽  
Vol 42 (12) ◽  
pp. 1024-1028
Author(s):  
Xiao D. Niu ◽  
Zhuo Lv ◽  
Xin R. Zhou ◽  
Hong S. Wang
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulations ◽  
Active Sites ◽  
Free Energy Calculations ◽  
Energy Calculations ◽  
Dynamics Simulations ◽  
Insight Into

Insight into the active sites for the Beckmann rearrangement on porous solids by in situ infrared spectroscopy

2006 ◽  
Vol 243 (2) ◽  
pp. 270-277 ◽  
Author(s):  
A FERNANDEZ ◽  
A MARINAS ◽  
T BLASCO ◽  
V FORNES ◽  
A CORMA
Keyword(s):  
Infrared Spectroscopy ◽  
Active Sites ◽  
Beckmann Rearrangement ◽  
Porous Solids ◽  
In Situ Infrared Spectroscopy ◽  
Insight Into

scholarly journals Electrochemical insights into the mechanism of NiFe membrane-bound hydrogenases

2016 ◽  
Vol 44 (1) ◽  
pp. 315-328 ◽  
Author(s):  
Lindsey A. Flanagan ◽  
Alison Parkin
Keyword(s):  
Active Site ◽  
Precious Metal ◽  
Active Sites ◽  
Review Paper ◽  
Spectroscopic Studies ◽  
Electrochemical Studies ◽  
Control Centre ◽  
Catalytic Active Sites ◽  
Membrane Bound ◽  
Insight Into

Hydrogenases are enzymes of great biotechnological relevance because they catalyse the interconversion of H2, water (protons) and electricity using non-precious metal catalytic active sites. Electrochemical studies into the reactivity of NiFe membrane-bound hydrogenases (MBH) have provided a particularly detailed insight into the reactivity and mechanism of this group of enzymes. Significantly, the control centre for enabling O2 tolerance has been revealed as the electron-transfer relay of FeS clusters, rather than the NiFe bimetallic active site. The present review paper will discuss how electrochemistry results have complemented those obtained from structural and spectroscopic studies, to present a complete picture of our current understanding of NiFe MBH.

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