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Probing Impact of Support Pore Diameter on Three-phase Interfaces of Pt/C Catalysts by Molecular Dynamic Simulation.
ACS Appl Mater Interfaces
January 2025
State Key Laboratory of Advanced Chemical Power Sources (Chongqing University), Chongqing 400044, China.
Investigating how the size of carbon support pores influences the three-phase interface of platinum (Pt) particles in fuel cells is essential for enhancing catalyst utilization. This study employed molecular dynamics simulations and density functional theory calculation to examine the effects of mesoporous carbon support size, specifically its pore diameter, on Nafion ionomer distribution, as well as on proton and gas/liquid transport channels, and the utilization of Pt active sites. The findings show that when Pt particles are located within the pores of carbon support (Pt/PC), there is a significant enhancement in the spatial distribution of Nafion ionomer, along with a reduction in encapsulation around the Pt particles, compared to when Pt particles are positioned on the surface or in excessively large pores of the carbon support.
View Article and Find Full Text PDFMechanistic Cooperation of the Two Pore-Forming Transmembrane Motifs Regulates the β-Barrel Pore Formation by Listeriolysin O.
Biochemistry
January 2025
Department of Biological Sciences, Indian Institute of Science Education and Research Mohali, Sector 81, SAS Nagar, Manauli, Mohali, Punjab 140306, India.
Listeriolysin O (LLO) is a potent membrane-damaging pore-forming toxin (PFT) secreted by the bacterial pathogen . LLO belongs to the family of cholesterol-dependent cytolysins (CDCs), which specifically target cholesterol-containing cell membranes to form oligomeric pores and induce membrane damage. CDCs, including LLO, harbor designated pore-forming motifs.
View Article and Find Full Text PDFComputational Modeling of Electrocatalysts for CO Reduction: Probing the Role of Primary, Secondary, and Outer Coordination Spheres.
Acc Chem Res
January 2025
The Department of Chemistry, State University of New York at Binghamton, Binghamton, New York 13902, United States.
ConspectusIn the search for efficient and selective electrocatalysts capable of converting greenhouse gases to value-added products, enzymes found in naturally existing bacteria provide the basis for most approaches toward electrocatalyst design. Ni,Fe-carbon monoxide dehydrogenase (Ni,Fe-CODH) is one such enzyme, with a nickel-iron-sulfur cluster named the C-cluster, where CO binds and is converted to CO at high rates near the thermodynamic potential. In this Account, we divide the enzyme's catalytic contributions into three categories based on location and function.
View Article and Find Full Text PDFAccelerated Destruction of Passive Film and Microbial Corrosion of 316L Stainless Steel via Extracellular Electron Transfer.
Angew Chem Int Ed Engl
January 2025
Northeastern University, Corrosion and Protection Center, NO. 3-11, Wenhua Road, Heping District, Shenyang, P. R. China, Shenyang, CHINA.
The dense passive film on 316L stainless steel is the key in its corrosion resistance. Its interactions with an electroactive biofilm are critical in deciphering microbial corrosion. Herein, an in-depth investigation using genetic manipulations and addition of an exogenous electron mediator found that extracellular electron transfer (EET) mediated by the electroactive S.
View Article and Find Full Text PDFProbing the Influence of the Protein Scaffold on H-Cluster Reactivity via Gain-of-Function Studies─Improved H Evolution and O Tolerance through Rational Design of [FeFe] Hydrogenase.
J Am Chem Soc
January 2025
Molecular Biomimetics, Department of Chemistry, Ångström Laboratory, Uppsala University, P.O. Box 523, Uppsala SE-75120, Sweden.
[FeFe] hydrogenases make up a structurally diverse family of metalloenzymes that catalyze proton/dihydrogen interconversion. They can be classified into phylogenetically distinct groups denoted A-G, which differ in structure and reactivity. Prototypical Group A hydrogenases have high turnover rates and remarkable energy efficiency.
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