全部文献期刊学位论文会议报纸专利标准年鉴图书|学者科研项目
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作者:Erick Abreu Silveira , Sonia Moreno-Perez , Alessandra Basso ...
来源:[J].BMC Biotechnology(IF 2.165), 2017, Vol.17 (1)Springer
摘要:Enzymatic ethanolysis of oils (for example, high oleic sunflower oil containing 90% of oleic acid) may yield two different reaction products depending on the regioselectivity of the immobilized lipase biocatalyst . Some lipase biocatalysts exhibit a 1,3-regioselectivity and they ...
作者:Safa Ali-Asgari , Jafar Izadi Nia , Samira Zali
来源:[J].Journal of Chemical Sciences(IF 1.298), 2017, Vol.129 (8), pp.1319-1325Springer
摘要:In this work, regioselectivity was investigated in the hetero-Diels–Alder reactions of styrenes (without substituent and with para-substituted groups) with 2-aza-1,3-butadiene from thermodynamic (Hammett study), electronic (HSAB criterion) and kinetic viewpoints. Furthermore...
作者:Abdellah Zeroual , Mar Ríos-Gutiérrez , Mohammed Salah ...
来源:[J].Journal of Chemical Sciences(IF 1.298), 2019, Vol.131 (8), pp.1-8Springer
摘要:... Analysis of the relative free energies associated with the competitive ortho and meta reaction paths shows high chemo- and regioselectivity for this 32CA reaction in clear agreement with the experimental outcomes. The topological analysis of the electron localization function...
作者:Farid Moeinpour , Amir Khojastehnezhad
来源:[J].Journal of the Iranian Chemical Society(IF 1.467), 2014, Vol.11 (5), pp.1459-1465Springer
摘要:... Analysis of the local electrophilicity and nucleophilicity indexes based on Parr functions only for reaction between 1 + 2a and based on Fukui functions only for 1 + 2b gives correct regioselectivity. The theoretical results obtained in the work clearly predict the regiochemi...
作者:Giorgio Molteni , Alessandro Ponti
来源:[J].Molecules(IF 2.428), 2017, Vol.22 (2)DOAJ
摘要:Conventional frontier molecular orbital theory is not able to satisfactorily explain the regioselectivity outcome of the nitrilimine–alkene cycloaddition. We considered that conceptual density functional theory (DFT) could be an effective theoretical framework to rationalize...
作者:SAEED REZA EMAMIAN , SAFA ALI-ASGARI , EHSAN ZAHEDI
来源:[J].Journal of Chemical Sciences(IF 1.298), 2014, Vol.126 (1), pp.293-302Springer
摘要:Abstract(#br)The mechanism and regioselectivity of 1,3-dipolar cycloaddition reactions of sulphur-centred 1,3-dipoles including thiocarbonyl S-imide (D1), thiocarbonyl S-oxide (D2) and thiocarbonyl S-sulphide (D3) with an electron-deficient dipolarophile, furan-2,3-dione (DPh)...
作者:Ahmed T. A. Boraei , El Sayed H. El Ashry , Axel Duerkop
来源:[J].Chemistry Central Journal(IF 1.312), 2016, Vol.10 (1)Springer
摘要:... Regioselectivity was determined by X-ray crystallography and NMR.(#br) Results(#br)Coupling of 3-benzylsufanyl-5-(1 H -indolyl)-1,2,4-triazole with dibromomethane, 1,2-dichloroethane, 1,3-dibromopropane and di(bromomethyl)quinoxaline was investigated in the presence of p...
作者:N. E. Dontsova , A. M. Shestopalov
来源:[J].Russian Chemical Bulletin(IF 0.423), 2017, Vol.66 (6), pp.1030-1043Springer
摘要:... Effects of the structure of 3-substituted pyridinium ylides on the regioselectivity of their reaction with E -1,2-di(alkylsulfonyl)-1,2-dichloroethenes were revealed. It was shown that the presence of electron-releasing and electron-withdrawing substituents in the pyridinium ...
作者:Mujeeb A. Sultan , Usama Karama , Abdulrahman I. Almansour ...
来源:[J].Molecules(IF 2.428), 2016, Vol.21 (10)DOAJ
摘要:A theoretical study of the regioselectivity of the Diels-Alder reaction between 1,8-dichloroanthracene and acrolein is performed using DFT at the B3LYP/6-31G(d,p) level of theory. The FMO analysis, global and local reactivity indices confirmed the reported experimental results. P...
作者:Jun Wu , Ruohong Chen , Caihui Zhang ...
来源:[J].Toxins(IF 2.129), 2016, Vol.8 (9)DOAJ
摘要:... Our study demonstrates the bioactivation of pig CYP3A29 towards AFB1 in vitro, and provides the insight for understanding regioselectivity of CYP3A29 to AFB1.

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