hydrogen transfer reaction
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Antioxidants ◽  
2021 ◽  
Vol 10 (12) ◽  
pp. 1966
Author(s):  
Ikuo Nakanishi ◽  
Yoshimi Shoji ◽  
Kei Ohkubo ◽  
Shunichi Fukuzumi

Recently, increasing attention has been paid to quantum mechanical behavior in biology. In this study, we investigated the involvement of quantum mechanical tunneling in the hydrogen-transfer reaction from Trolox, a water-soluble analog of vitamin E (α-tocopherol), to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH•) in a phosphate buffer solution (0.05 M, pH 7.0). DPPH• was used as a reactivity model of reactive oxygen species and solubilized in water using β-cyclodextrin (β-CD). The second-order rate constants, kH and kD, in 0.05 M phosphate buffer solutions prepared with H2O (pH 7.0) and D2O (pD 7.0), respectively, were determined for the reaction between Trolox and DPPH•, using a stopped-flow technique at various temperatures (283–303 K). Large kinetic isotope effects (KIE, kH/kD) were observed for the hydrogen-transfer reaction from Trolox to the β-CD-solubilized DPPH• in the whole temperature range. The isotopic ratio of the Arrhenius prefactor (AH/AD = 0.003), as well as the isotopic difference in the activation energies (19 kJ mol−1), indicated that quantum mechanical tunneling plays a role in the reaction.


Author(s):  
Hui Guo ◽  
Yuchao Li ◽  
Cuncun Zuo ◽  
Yanxia Zheng ◽  
Xinpeng Guo ◽  
...  

Homogeneous hydrogen transfer reactions of methacrolein (MAL) and isopropanol (IPA) to methallyl alcohol (MAA) were investigated in batch reactor (Conv.89%, Select 93.1%) and tubular reactor (Conv.88.1%, Select 95%) using aluminum isopropoxide (Al(OPri)3) as catalyst. Kinetic experiments on hydrogen transfer reactions and reaction order were investigated in batch reactor and tubular reactor. Response surface methodology (RAM) was applied to optimize the optimum reaction conditions of hydrogen transfer reaction. Purification process of MAA from product mixture after hydrogen transfer reaction was simulated with Aspen Plus software, theoretical stages, reflux ratio and feed stage of distillation tower were optimized. Density Functional Theory (DFT) was used to investigate viable reaction pathway and to probe the catalytic mechanism between reactants and catalyst, including dehydrogenation, coupling and hydrogenation reaction. Microscopic mechanisms of hydrogen transfer reaction from MAA to MAL were acquired in detail and could be easily extended to other series of hydrogen transfer reaction.


2021 ◽  
Vol 513 ◽  
pp. 111822
Author(s):  
Wenjing Dong ◽  
Jingde Li ◽  
Chengkuan Shi ◽  
Dongsheng Zhang ◽  
Yanji Wang

2021 ◽  
Author(s):  
Jamie Paul Southouse ◽  
Laura Lazzarini ◽  
A O Ibhadon ◽  
Maria Grazia Francesconi

Ultra-small FeS2 nanoparticles were prepared and used as catalysts in a hydrogen transfer reaction for the synthesis of substituted anilines. The catalytic performance is superior to current systems across all...


2020 ◽  
Vol 358 ◽  
pp. 237-245 ◽  
Author(s):  
Chanon Auepattana-aumrung ◽  
Kongkiat Suriye ◽  
Bunjerd Jongsomjit ◽  
Joongjai Panpranot ◽  
Piyasan Praserthdam

2020 ◽  
Vol 26 (3) ◽  
Author(s):  
Xiaotian Zhao ◽  
Wanqiu Huang ◽  
Dandan Song ◽  
Runxing Lin ◽  
Hong Huang ◽  
...  

2020 ◽  
Vol 22 (10) ◽  
pp. 5740-5748
Author(s):  
Shun-ichi Ishiuchi ◽  
Junko Kamizori ◽  
Norihiro Tsuji ◽  
Makoto Sakai ◽  
Mitsuhiko Miyazaki ◽  
...  

Intersystem crossing from 1πσ* to 3πσ* states traps excited state hydrogen transfer reaction in a bound state formed by 3ππ* and 3πσ* states.


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