Results 21 to 30 of about 43,577 (345)

Flavones’ and Flavonols’ Antiradical Structure–Activity Relationship—A Quantum Chemical Study

Antioxidants, 2020
Flavonoids are known for their antiradical capacity, and this ability is strongly structure-dependent. In this research, the activity of flavones and flavonols in a water solvent was studied with the density functional theory methods.
Maciej Spiegel, Tadeusz Andruniów, Zbigniew Sroka   +2 more
doaj   +1 more source

A cross-dehydrogenative C(sp 3)−H heteroarylation via photo-induced catalytic chlorine radical generation

Nature Communications, 2021
Hydrogen atom abstraction from C(sp 3)–H bonds of naturally abundant alkanes for alkyl radical generation represents a promising yet underexplored strategy in the alkylation reaction designs.
Chia-Yu Huang, Jianbin Li, Chao-Jun Li
doaj   +1 more source

DFT studies of solvent effect in hydrogen abstraction reactions from different allyl-type monomers with benzoyl radical

BMC Chemistry, 2023
Inert allyl-type monomers have been widely documented due to reduce degradation chain transfer. Recently, we and others discovered that the [3 + 2] cyclization reaction process by a photo-driven radical reaction, which can accelerate the polymerization ...
Xiaotian Zhao, YaMing Li, Shibo Lin, Chun Liu, Xirui Guo, Xuanhao Li, Lihui He, Xi Chen, Guodong Ye   +8 more
doaj   +1 more source

A chemical understanding for the enhanced hydrogen tunnelling in hydroperoxidation of linoleic acid catalysed by soybean lipoxygenase-1 [PDF]

, 2008
The reaction path of the Interacting-State Model (ISM) is used with the Transition-State Theory (TST) and the semiclassical correction for tunnelling (ISM/scTST) to calculate the rates of H-atom abstraction from C(11) of linoleic acid catalysed by ...
Arnaut, Arnaut, Arnaut, Arnaut, Arnaut, Arnaut, Barroso, Barroso, Blanksby, Carey, Cha, Clark, CRC, Doll, Formosinho, Frauenfelder, Galsstone, Garcia-Viloca, Garrett, Hammes-Schiffer, Hatcher, Hatcher, Johnston, Kariuki, Kitaguchi, Knapp, Kohen, Lehnert, Limbach, Lippincott, Meyer, Olsson, Olsson, Parr, Pauling, Pineda, Pu, Scheiner, Serpa, Serpa, Siebrand, Taylor, Tresadern, Varandas, Wenger, Wilson   +45 more
core   +1 more source

Engineering the catalytic properties of CeO2 catalyst in HCl-assisted propane dehydrogenation by effective doping: A first-principles-based microkinetic simulation

Frontiers in Chemistry, 2023
HCl-assisted propane dehydrogenation (PDH) is an attractive route for propene production with good selectivity. In this study, the doping of CeO2 with different transition metals, including V, Mn, Fe, Co, Ni, Pd, Pt, and Cu, in the presence of HCl was ...
Faheem Jan, Faheem Jan, Min Yang, Min Yang, Nuodan Zhou, Nuodan Zhou, XiaoYing Sun, Bo Li   +7 more
doaj   +1 more source

5 S,15 S-Dihydroperoxyeicosatetraenoic Acid (5,15-diHpETE) as a Lipoxin Intermediate: Reactivity and Kinetics with Human Leukocyte 5-Lipoxygenase, Platelet 12-Lipoxygenase, and Reticulocyte 15-Lipoxygenase-1. [PDF]

, 2018
The reaction of 5 S,15 S-dihydroperoxyeicosatetraenoic acid (5,15-diHpETE) with human 5-lipoxygenase (LOX), human platelet 12-LOX, and human reticulocyte 15-LOX-1 was investigated to determine the reactivity and relative rates of producing lipoxins (LXs).
Freedman, Cody, Green, Abigail R, Holinstat, Michael, Holman, Theodore R, Liu, Benjamin, Tena, Jennyfer, Tourdot, Benjamin E   +6 more
core   +3 more sources

Probing the Electrostatic and Steric Requirements for Substrate Binding in Human Platelet-Type 12-Lipoxygenase. [PDF]

, 2019
Human platelet ALOX12 (hALOX12 or h12-LOX) has been implicated in a variety of human diseases. The present study investigates the active site of hALOX12 to more thoroughly understand how it positions the substrate and achieves nearly perfect regio- and ...
Aleem, Ansari Mukhtar, Alvarez, Gabriella, Deschamps, Joshua, Holman, Theodore, Jacobson, Matthew P, Kalyanaraman, Chakrapani, Tena, Jennyfer, Tsai, Wan-Chen   +7 more
core   +2 more sources

Part 2. Mechanistic aspects of the reduction of S-alkyl-thionocarbonates in the presence of triethylborane and air

Beilstein Journal of Organic Chemistry, 2007
Experiments conducted with deuterated compounds demonstrated that during the reduction of S-alkylxanthates with triethylborane, the hydrogen atom transferred has several competing origins.
Florent Allais, Jean Boivin, Van Tai Nguyen   +2 more
doaj   +1 more source

Chemical dynamics of triacetylene formation and implications to the synthesis of polyynes in Titan's atmosphere [PDF]

, 2009
For the last four decades, the role of polyynes such as diacetylene (HCCCCH) and triacetylene (HCCCCCCH) in the chemical evolution of the atmosphere of Saturn's moon Titan has been a subject of vigorous research. These polyacetylenes are thought to serve
A. M. Mebel, Gladstone, Gu, Guo, Jones, Kislov, Landera, Lorenz, M. C. Liang, Porco, R. I. Kaiser, Waite, X. Gu, Y. L. Yung, Y. S. Kim   +14 more
core   +2 more sources

Remote functionalization by tandem radical chain reactions [PDF]

, 1997
Normal radical relay chlorination of cholestan-3α-ol directed by an attached m-iodobenzoate ester group affords a 9α-chloro steroid, but when the same reaction is conducted in the presence of an excess of CBr4 the product is a 9α-bromo steroid ...
Wiedenfeld, David
core   +1 more source