Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Adelina M. Voutchkova"'
Autor:
Krishna N. Ganesh, Deqing Zhang, Scott J. Miller, Kai Rossen, Paul J. Chirik, Marisa C. Kozlowski, Julie B. Zimmerman, Bryan W. Brooks, Phillip E. Savage, David T. Allen, Adelina M. Voutchkova-Kostal
Publikováno v:
ACS Omega, Vol 6, Iss 25, Pp 16254-16258 (2021)
Externí odkaz:
https://doaj.org/article/006925df95864438a8d2a3ec60a2432f
Publikováno v:
Chemical Engineering and Processing: Process Intensification. 50:1027-1034
A possible conceptualisation formalism for high-level description of complex reaction systems is presented. The formalism is intended as a framework for adopting multi-scale modelling and simulation tools to the problems of reverse design of intensiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0f2036eee1eb78e7c47c37c6a1e73066
https://doi.org/10.1016/j.cep.2011.06.005
https://doi.org/10.1016/j.cep.2011.06.005
Publikováno v:
Chemical Reviews. 110:5845-5882
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a326bd8c18d9bde5ddcc12bf8437e8b9
https://doi.org/10.1021/cr9003105
https://doi.org/10.1021/cr9003105
Publikováno v:
Tetrahedron. 66:1031-1039
The relationship of in-silico predicted physical/chemical properties and human toxicity is analyzed for a statistically significant sample size of chemical compounds. Results for compounds with known toxicity endpoints, as designated by EPA's Toxic R
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e92c916b6f00206c2bd658586764500e
https://doi.org/10.1016/j.tet.2009.11.002
https://doi.org/10.1016/j.tet.2009.11.002
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 312:1-6
A recyclable catalyst, Ir/C, gives C–H benzylic functionalization of simple arenes to afford aldehydes, esters, and imines. In the case of esters, an additive, Ag 2 CO 3 , acts as base and oxidant, while for imine formation no additive is necessary
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c4a6cdf5605bf5aa383c7832bc7dbce5
https://doi.org/10.1016/j.molcata.2009.07.019
https://doi.org/10.1016/j.molcata.2009.07.019
Autor:
Jonathan Parr, Scott J. Miller, Charles E. Jakobsche, Robert H. Crabtree, Chase Butler, Adelina M. Voutchkova, Dinakar Gnanamgari
Publikováno v:
Journal of Organometallic Chemistry. 693:1815-1821
Two mild and versatile catalytic routes give regioselective hydrogenation of the heterocyclic ring of quinoline derivatives avoiding the high pressures of hydrogen required in the conventional hydrogenation route. Hydrosilylation using H 3 SiPh and c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12943430fb16000c9b6b5e22f7d681ff
https://doi.org/10.1016/j.jorganchem.2008.02.004
https://doi.org/10.1016/j.jorganchem.2008.02.004
Autor:
Kristin A, Connors, Adelina M, Voutchkova-Kostal, Jakub, Kostal, Paul, Anastas, Julie B, Zimmerman, Bryan W, Brooks
Publikováno v:
Environmental toxicology and chemistry. 33(8)
Basic toxicological information is lacking for the majority of industrial chemicals. In addition to increasing empirical toxicity data through additional testing, prospective computational approaches to drug development aim to serve as a rational bas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0d5ccae5e67d4f23aa4d00b8e77045d6
https://pubmed.ncbi.nlm.nih.gov/24839109
https://pubmed.ncbi.nlm.nih.gov/24839109
Publikováno v:
Handbook of Green Chemistry
The sections in this article are Possible Approaches to Systematic Design Guidelines for Reduced Toxicity Analogy with Medicinal Chemistry Do Chemicals with Similar Toxicity Profiles Have Similar Physical/Chemical Properties? Proposed Design Guidelin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed764c52b27140968d2fc5ca140f7ccc
https://doi.org/10.1002/9783527628698.hgc107
https://doi.org/10.1002/9783527628698.hgc107
Publikováno v:
Organic letters. 14(1)
A combined computational and experimental kinetic study on the Henry reaction is reported. The effects of solvation on the transition structures and the rates of reaction between nitromethane and formaldehyde, and between nitropropane and benzaldehyd
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1fc18dc18c1c249df92e428abd9c4ec9
https://pubmed.ncbi.nlm.nih.gov/22168236
https://pubmed.ncbi.nlm.nih.gov/22168236
Publikováno v:
ChemInform. 40
Microwave heating greatly accelerates Pd-catalyzed decarboxylative coupling of aromatic acids and aryl iodides, and allows the coupling of benzoic acids with unactivated arenes.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::599fb7d38ead37e3134010caf91e693e
https://doi.org/10.1002/chin.200917095
https://doi.org/10.1002/chin.200917095