Results 71 to 80 of about 111,305 (353)

Molecular Dynamics and QM/MM Calculations Predict the Substrate-Induced Gating of Cytochrome P450 BM3 and the Regio- and Stereoselectivity of Fatty Acid Hydroxylation.

Journal of the American Chemical Society, 2016
Theory predicts herein enzymatic activity from scratch. We show that molecular dynamics (MD) simulations and quantum-mechanical/molecular mechanics (QM/MM) calculations of the fatty acid hydroxylase P450 BM3 predict the binding mechanism of the fatty ...
K. Dubey, Binju Wang, S. Shaik
semanticscholar   +1 more source

Water Nanofilms Mediate Adhesion and Heat Transfer at Hematite‐Hydrocarbon Interfaces

Advanced Materials Interfaces, EarlyView.
Work of adhesion, Wsl, shown as a function of water coverage for the weak, intermediate and strong solid–liquid interaction strengths. Anhydrous and hydroxylated surfaces are represented by unfilled and filled markers, respectively. The result for the anhydrous surface with the strong solid liquid interactions (Wsl = 405 mJ m−2) is not shown ...
Fionn Carman, Fernando Bresme, Billy Wu, Daniele Dini, James P. Ewen   +4 more
wiley   +1 more source

Cytochrome P450 3A Enzymes Are Key Contributors for Hepatic Metabolism of Bufotalin, a Natural Constitute in Chinese Medicine Chansu

Frontiers in Pharmacology, 2019
Bufotalin (BFT), one of the naturally occurring bufodienolides, has multiple pharmacological and toxicological effects including antitumor activity and cardiotoxicity.
Zi-Ru Dai, Jing Ning, Gui-Bo Sun, Ping Wang, Feng Zhang, Hong-Ying Ma, Li-Wei Zou, Jie Hou, Jing-Jing Wu, Guang-Bo Ge, Guang-Bo Ge, Xiao-Bo Sun, Ling Yang   +12 more
doaj   +1 more source

An Injection‐Molded Modified Silicone Rubber for Cancer‐on‐Chip Applications

Advanced Materials Technologies, Volume 10, Issue 6, March 18, 2025.
This study describes the characterization and application of an injection‐molded functionalized PDMS fluidic insert for the commercially available Micronit system. Modified PDMS can accommodate cell culture and is able to covalently bind proteins for long‐lasting coatings under flow‐conditions.
Ben J. Haspels, Frederikus Bakker, Lucas J. A. M. Beckers, Roland Kanaar, Koen C. Kriege, Susanne M. Valster, Roland C. M. Vulders, Maayke M. P. Kuijten   +7 more
wiley   +1 more source

Biocatalytic hydroxylation of n-butane with in situ cofactor regeneration at low temperature and under normal pressure

Beilstein Journal of Organic Chemistry, 2012
The hydroxylation of n-alkanes, which proceeds in the presence of a P450-monooxygenase advantageously at temperatures significantly below room temperature, is described.
Svenja Staudt, Christina A. Müller, Jan Marienhagen, Christian Böing, Stefan Buchholz, Ulrich Schwaneberg, Harald Gröger   +6 more
doaj   +1 more source

A Systematic Account on Aromatic Hydroxylation by a Cytochrome P450 Model Compound I: A Low-Pressure Mass Spectrometry and Computational Study.

Chemistry, 2016
Cytochrome P450 enzymes are heme-containing mono-oxygenases that mainly react through oxygen-atom transfer. Specific features of substrate and oxidant that determine the reaction rate constant for oxygen atom transfer are still poorly understood and ...
Fabián G. Cantú Reinhard, Mala A. Sainna, P. Upadhyay, G. Alex Balan, Devesh Kumar, S. Fornarini, M. Crestoni, Sam P. de Visser   +7 more
semanticscholar   +1 more source

Integrating Visible‐Light Photocatalysis and Enzymes for the Stereoselective Synthesis of Alcohols and Amines

Advanced Synthesis &Catalysis, EarlyView.
The integration between visible‐light photocatalysis and biocatalysis has the potential to greatly improve modern organic synthesis by combining the production of valuable synthetic intermediates under mild photochemical conditions with the high degree of stereoselectivity reached by enzymes. The review collects the recent efforts in the photoenzymatic
Stefano Parisotto, Cristina Prandi
wiley   +1 more source

Mechanism of Efficient Smithsonite Flotation with a Ternary Composite Collector Under Sulfur-Free Conditions

Molecules
The increasing demand for zinc resources and the declining availability of sulfide zinc ore reserves have made the efficient utilization of zinc oxide a topic of considerable interest. In this study, a ternary composite collector ABN (Al-BHA-NaOL system)
Rui Li, Yanhai Shao, Jinhui Li, Chenjie Liu, Hongqin Chen, Xiao Meng, Xinru Jia   +6 more
doaj   +1 more source

Efficient regio- and stereoselective access to novel fluorinated β-aminocyclohexanecarboxylates

Beilstein Journal of Organic Chemistry, 2013
A regio- and stereoselective method has been developed for the synthesis of novel fluorinated 2-aminocyclohexanecarboxylic acid derivatives with the fluorine attached to position 4 of the ring.
Loránd Kiss, Melinda Nonn, Reijo Sillanpää, Santos Fustero, Ferenc Fülöp   +4 more
doaj   +1 more source

Ligand-Enabled, Copper-Promoted Regio- and Chemoselective Hydroxylation of Arenes, Aryl Halides, and Aryl Methyl Ethers.

Journal of Organic Chemistry, 2016
We report here a practical method for the ortho C-H hydroxylation of benzamides with inexpensive copper(II) acetate monohydrate and a pyridine ligand.
B. Singh, R. Jana
semanticscholar   +1 more source