Results 121 to 130 of about 188,936 (339)

Manganese-Substituted Myoglobin: Characterization and Reactivity of an Oxidizing Intermediate towards a Weak C-H Bond

Inorganics, 2015
Metal-substituted hemoproteins have been examined by biochemists for decades, but their potential for diverse functionalities has not been thoroughly investigated.
Kari L. Stone, Joey Hua, Humdoon Choudhry   +2 more
doaj   +1 more source

First principle study of hydrogen behavior in hexagonal tungsten carbide [PDF]

, 2010
Understanding the behavior of hydrogen in hexagonal tungsten carbide (WC) is of particular interest for fusion reactor design due to the presence of WC in the divertor of fusion reactors. Therefore, we use first-principles calculations to study the hydrogen behavior in WC. The most stable interstitial site for the hydrogen atom is the projection of the
arxiv   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Trapping the substrate radical of heme synthase AhbD. [PDF]

Front Chem
The heme synthase AhbD catalyzes the last step of the siroheme-dependent heme biosynthesis pathway, which is operative in archaea and sulfate-reducing bacteria.
Heidinger L, Fix I, Friedrich T, Layer G.   +3 more
europepmc   +2 more sources

Facile Synthesis of CuxS Electrocatalysts for CO2 Conversion into Formate and Study of Relations Between Cu and S with the Selectivity

Advanced Functional Materials, EarlyView.
Copper sulfide based electrocatalysts for CO2 conversion are selective for production of formate as major product. Transformations under electrochemical conditions result in significant sulfur loss, and this study examines the nature of how persistent, residual sulfur (observed as surface SO42– species and S dissolved in the electrolyte) can sustain ...
Sasho Stojkovikj, Gumaa A. El‐Nagar, Siddharth Gupta, Metodija Najdoski, Violeta Koleva, Theocharis Tzanoudakis, Frederik Firschke, Peter Bogdanoff, Matthew T. Mayer   +8 more
wiley   +1 more source

Sulfonamide-directed site-selective functionalization of unactivated C(sp3)−H enabled by photocatalytic sequential electron/proton transfer

Nature Communications
The generation of alkyl radical from C(sp3)−H substrates via hydrogen atom abstraction represents a desirable yet underexplored strategy in alkylation reaction since involving common concerns remain adequately unaddressed, such as the harsh reaction ...
Chaodong Wang, Zhi Chen, Jie Sun, Luwei Tong, Wenjian Wang, Shengjie Song, Jianjun Li   +6 more
doaj   +1 more source

Hydrogen abstraction from chlorinated ethanes by chlorine atoms

Transactions of the Faraday Society, 1967
The hydrogen abstraction from the chlorinated ethanes by chlorine atoms has been investigated in the gas phase between 323 and 423°K. Absolute values of the rate constants have been obtained using a competition method with chloroform or methyl chloride as competitor. The activation energies and the pre-exponential factors are discussed.
Cillien, Camille, Goldfinger, Paul, Huybrechts, Guy, Martens, G.   +3 more
openaire   +3 more sources

Direct Ink Writing of Conductive Hydrogels

Advanced Functional Materials, EarlyView.
This review examines the use of direct ink writing (DIW) for fabricating conductive hydrogels with customizable 3D structures. It outlines the rheological requirements for successful DIW, followed by an exploration of the materials and ink formulations used to impart electronic and/or ionic conductivity to hydrogels while maintaining printability ...
Monica Ho, Aline Braz Ramirez, Negar Akbarnia, Eric Croiset, Elisabeth Prince, Gerald G. Fuller, Milad Kamkar   +6 more
wiley   +1 more source

Recent Advances in Enzyme‐based Biofuel Cells Using Glucose Fuel: Achieving High Power Output and Enhanced Operational Stability

Advanced Functional Materials, EarlyView.
Effective electron transfer and stable enzyme immobilization, both between enzymes and host electrodes as well as between adjacent enzymes, are crucial for optimizing the biofuel cell (BFC) performance. Recently, efforts have focused on integrating these strategies with porous host electrodes.
Junha Pak, Woojae Chang, Cheong Hoon Kwon, Jinhan Cho   +3 more
wiley   +1 more source

Automated transition state theory calculations for high-throughput kinetics

, 2017
A scarcity of known chemical kinetic parameters leads to the use of many reaction rate estimates, which are not always sufficiently accurate, in the construction of detailed kinetic models.
Bhoorasingh, Pierre L., Cain, Jason Y., Khanshan, Fariba Seyedzadeh, Slakman, Belinda L., West, Richard H.   +4 more
core   +2 more sources