Zobrazeno 1 - 10
of 125
pro vyhledávání: '"Steven E. Wheeler"'
Autor:
William J. Mullin, Peter Müller, Anthony J. Schaefer, Elisa Guzman, Steven E. Wheeler, Samuel W. Thomas III
Publikováno v:
Journal of Materials Chemistry C. 10:11199-11210
Electron-rich heteroarenes stack with perfluoroarene side chains and twist arylene-ethynylene conjugated oligomers, while electron deficient heterocycles do not. These trends correlate with X-ray structures, optical spectra, and computations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1359a5efd40819fbbc2330d09edac05d
https://doi.org/10.1039/d2tc01292h
https://doi.org/10.1039/d2tc01292h
Autor:
Shang Gao, Meng Duan, Laura R. Andreola, Peiyuan Yu, Steven E. Wheeler, Kendall N. Houk, Ming Chen
Publikováno v:
Angew Chem Int Ed Engl
We report herein a rare example of enantiodivergent aldehyde addition with β-alkenyl allylic boronates via chiral Brønsted acid catalysis. 2,6-Di-9-anthracenyl-substituted chiral phosphoric acid-catalyzed asymmetric allylation using β-vinyl substi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da4025df01b2c9f3dae8f73327e03966
https://doi.org/10.1002/ange.202208908
https://doi.org/10.1002/ange.202208908
Autor:
Nikolay S. Kondratyev, Vladimir Yu. Vaganov, Yasuaki Fukazawa, S. A. Shipilovskikh, Andrei V. Malkov, Steven E. Wheeler, Aleksandr E. Rubtsov
Publikováno v:
Advanced Synthesis & Catalysis. 362:5467-5474
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a2c2c2ca5aa671c7fc6ae3f9bc7650f9
https://doi.org/10.1002/adsc.202000936
https://doi.org/10.1002/adsc.202000936
Publikováno v:
ACS Catalysis. 10:12292-12299
Chiral phosphoric acids have received considerable attention because of their excellent performance in many asymmetric catalytic reactions. However, the full breadth of means by which the stereosel...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cb028b2f238522033a99166400d81fe
https://doi.org/10.1021/acscatal.0c02578
https://doi.org/10.1021/acscatal.0c02578
Autor:
M Sharath Chandra, Tia L. Walker, Christopher J. Ziegler, Ian S. Taschner, Xinfeng Gao, Briana R. Schrage, Steven E. Wheeler
Publikováno v:
Organic Chemistry Frontiers. 7:1164-1176
A series of heterobicyclic aza/thia-lactams and cryptands incorporating changes in n-alkyl bridging length have been synthesized, characterized, chelated to heavy metals and computationally assessed. Spectroscopic analysis of aza/thia-lactams L1 and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a15be4cbc313c59332bbf3b028d721a3
https://doi.org/10.1039/d0qo00123f
https://doi.org/10.1039/d0qo00123f
Autor:
Rodrigo B. Andrade, Miseon Lee, Christiana N. Teijaro, Bettina A. Buttaro, Marlene A. Jacobson, Samer S. Daher, Xiao Jin, Steven E. Wheeler
Publikováno v:
ChemMedChem
There is an urgent need for new antibiotics to mitigate the existential threat posed by antibiotic resistance. Within the ketolide class, solithromycin has emerged as one of the most promising candidates for further development. Crystallographic stud
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7928f0af5666f0e24e227ef8268f10a6
https://europepmc.org/articles/PMC8571068/
https://europepmc.org/articles/PMC8571068/
Publikováno v:
Journal of the American Chemical Society. 141:11027-11035
Despite the ubiquity of stacking interactions between heterocycles and aromatic amino acids in biological systems, our ability to predict their strength, even qualitatively, is limited. On the basis of rigorous ab initio data, we developed simple pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8716262707c7bb998507aaac3394b284
https://doi.org/10.1021/jacs.9b00936
https://doi.org/10.1021/jacs.9b00936
Publikováno v:
Chemistry – A European Journal. 25:4452-4459
Fluxional chiral DMAP-catalyzed kinetic resolutions of axially chiral biaryls were examined using density functional theory. Computational analyses lead to a revised understanding of this reaction in which the interplay of numerous non-covalent inter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17bc50184a98adef74c78b2e56942351
https://doi.org/10.1002/chem.201806068
https://doi.org/10.1002/chem.201806068
Autor:
Steven E. Wheeler, Andrea N. Bootsma
Publikováno v:
Journal of Chemical Information and Modeling. 59:149-158
Stacking interactions can play an integral role in the strength and selectivity of protein–drug binding and are of particular interest given the ubiquity and variety of heterocyclic fragments in drugs. In addition to traditional stacking interactio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::973e81048695de4fb834d7a27018099c
https://doi.org/10.1021/acs.jcim.8b00563
https://doi.org/10.1021/acs.jcim.8b00563
Publikováno v:
Journal of computational chemistryREFERENCES. 42(24)
We describe a bundle for UCSF ChimeraX called SEQCROW that provides advanced structure editing capabilities and quantum chemistry utilities designed for complex organic and organometallic compounds. SEQCROW includes graphical presets and bond editing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::345844e60052cb31589a61d6c8fbe584
https://pubmed.ncbi.nlm.nih.gov/34109660
https://pubmed.ncbi.nlm.nih.gov/34109660