Zobrazeno 1 - 10
of 57
pro vyhledávání: '"Tongxiang Lu"'
Autor:
Zhiqiang Ji, Pierre-Luc T. Boudreault, Bert Alleyne, Tongxiang Lu, Eric A. Margulies, Julie J. Brown
Publikováno v:
SID Symposium Digest of Technical Papers. 52:261-263
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fae6a620a60a92b02d8f7e4a832f5b56
https://doi.org/10.1002/sdtp.14663
https://doi.org/10.1002/sdtp.14663
Publikováno v:
ResearcherID
The development of asymmetric catalysts is typically driven by the experimental screening of potential catalyst designs. Herein, we demonstrate the design of asymmetric propargylation catalysts through computational screening. This was done using our
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d68200dba72dc45e9500f3ab532e292a
https://doi.org/10.1021/acscatal.6b02366
https://doi.org/10.1021/acscatal.6b02366
Publikováno v:
ChemCatChem. 8:2771-2780
The generation of platinum-containing carbonyl ylides from acyclic γ,δ-ynones and the cycloaddition of these ylides with electron-rich alkenes have been explored computationally to explain the experimentally observed regio- and stereoselectivity. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b2b93d5a3c38ae28c2efefb04006185
https://doi.org/10.1002/cctc.201600167
https://doi.org/10.1002/cctc.201600167
Publikováno v:
Molecular Catalysis. 483:110712
The impact of solvent on the enantioselectivity of the allylation of aromatic aldehydes catalyzed by a bipyridine-N,N'-dioxide [(S)-bis-1,1′-(5,6,7,8-tetrahydro-3-phenylisoquinoline)-N,N'-dioxide] has been studied using modern density functional th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ad53a58c4a4c7c9c8675d0987b26523c
https://doi.org/10.1016/j.mcat.2019.110712
https://doi.org/10.1016/j.mcat.2019.110712
Publikováno v:
RSC Advances. 5:80048-80056
The mechanisms of Selectfluor-mediated Au-catalyzed intramolecular Csp3–Csp2 cross-coupling reaction involving direct aryl Csp2–H functionalization have been investigated theoretically. Several pathways involving the oxidation of alkylgold(I) (Cy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de7db6f0e5b9b7fea51a8542c87d0293
https://doi.org/10.1039/c5ra16359e
https://doi.org/10.1039/c5ra16359e
Publikováno v:
ACS Catalysis. 5:272-280
Stereoselectivities were predicted for the allylation of benzaldehyde using allyltrichlorosilanes catalyzed by 18 axially chiral bipyridine N,N′-dioxides. This was facilitated by the computational toolkit AARON (Automated Alkylation Reaction Optimi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff735b389c4bead69244a48753e0c068
https://doi.org/10.1021/cs5012553
https://doi.org/10.1021/cs5012553
Autor:
Steven E. Wheeler, Tongxiang Lu
Publikováno v:
Organic Letters. 16:3268-3271
Matile et al. introduced the concept of anion-π catalysis [Angew. Chem., Int. Ed. 2013, 52, 9940; J. Am. Chem. Soc. 2014, 136, 2101], reporting naphthalene diimide (NDI)-based organocatalysts for the Kemp elimination reaction. We report computationa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb51eb3a65d3163e0594f83a79ee40ee
https://doi.org/10.1021/ol501283u
https://doi.org/10.1021/ol501283u
Publikováno v:
The Journal of Physical Chemistry B. 118:5653-5659
We present detailed computational analyses of the binding of four dinucleotides to a highly sequence-selective single-stranded DNA (ssDNA) binding antibody (ED-10) and selected point mutants. Anti-DNA antibodies are central to the pathogenesis of sys
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f285ce58115ce40ae209d2178690acba
https://doi.org/10.1021/jp502069a
https://doi.org/10.1021/jp502069a
Autor:
Pingli Lv, Chengbu Liu, Ruo-xi Wang, Tongxiang Lu, Dongju Zhang, Steven E. Wheeler, Rongxiu Zhu
Publikováno v:
Tetrahedron: Asymmetry. 24:1598-1604
Computational studies to determine the origin of enantioselectivity in the (1R,2R)-1,2-diphenylethane-1,2-diamine (DEPN)–Bronsted acid catalyzed epoxidation of 2-cyclohexen-1-one have been performed using density functional theory. Transition state
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b85368d4175caba864638383ea1f99f
https://doi.org/10.1016/j.tetasy.2013.10.014
https://doi.org/10.1016/j.tetasy.2013.10.014
Publikováno v:
Organic Letters. 14:5310-5313
A simple electrostatic model explains the enhanced stereoselectivity of N-oxide catalyzed allylations compared to propargylations, which in turn explicates the dearth of stereoselective N-oxide propargylation catalysts. These results suggest that N-o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e80aee321adc7531794c34884656a237
https://doi.org/10.1021/ol302493d
https://doi.org/10.1021/ol302493d