Zobrazeno 1 - 10
of 119
pro vyhledávání: '"Libero J, Bartolotti"'
Autor:
Manoj Chelvanambi, Matthew Powell, Connor B Cribb, Donald P. McDonnell, Rigel J. Kishton, Phat T Do, Leah L Lowder, Sridhar Varadarajan, Kelly Mastro-Kishton, Giridhar R. Akkaraju, Sean E. Miller, Libero J. Bartolotti, Suzanne E. Wardell, Charles B. Kelly, Rajeshwar Reddy Govindapur, Arthur R. Frampton
Publikováno v:
Journal of Medicinal Chemistry. 64:12651-12669
We previously described the development of a DNA-alkylating compound that showed selective toxicity in breast cancer cells. This compound contained an estrogen receptor α (ERα)-binding ligand and a DNA-binding/methylating component that could selec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::759e2dd0224d8f7f706879eff76b9d5f
https://doi.org/10.1021/acs.jmedchem.1c00615
https://doi.org/10.1021/acs.jmedchem.1c00615
Publikováno v:
Polymeric Biomaterials and Bioengineering ISBN: 9789811910838
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::104eac156cb4ec9eb32eb06438dfb834
https://doi.org/10.1007/978-981-19-1084-5_3
https://doi.org/10.1007/978-981-19-1084-5_3
Autor:
Edward O. Edney, Ivan R. Piletic, Surender Kaushik, Richard Howell, Tadeusz E. Kleindienst, Libero J. Bartolotti
Publikováno v:
The Journal of Physical Chemistry A. 123:906-919
A computational protocol is employed to glean new insight into the kinetics of several 1,5-hydrogen atom (H) shift reactions subsequent to first- and second-generation OH/O2 additions to isoprene. The M06-2X density functional was initially used with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d9bef5a24c8bbe7a1885187c7d34a676
https://doi.org/10.1021/acs.jpca.8b09738
https://doi.org/10.1021/acs.jpca.8b09738
Autor:
Jessica L. Norris, Adam R. Offenbacher, Kristin J Tyson, Amanda N Davis, Libero J. Bartolotti, Eli G. Hvastkovs
Publikováno v:
The journal of physical chemistry letters. 11(7)
Tyrosine and tryptophan play critical roles in facilitating proton-coupled electron transfer (PCET) processes essential to life. The local protein environment is anticipated to modulate the thermodynamics of amino acid radicals to achieve controlled,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e619dca8cb2579c0b36429909be2ff7e
https://pubmed.ncbi.nlm.nih.gov/32134666
https://pubmed.ncbi.nlm.nih.gov/32134666
Publikováno v:
Inorganic chemistry. 59(1)
Density functional theory (DFT) and nudged elastic band (NEB) theory have been used to study the possible pathways for the acylation of cycloplatinated complex A derived from 2-phenoxypyridine, which is conceived as the key step in the platinum-catal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::028b95c498f3281f4f5c631356b7311a
https://pubmed.ncbi.nlm.nih.gov/31834795
https://pubmed.ncbi.nlm.nih.gov/31834795
Autor:
Ivan R, Piletic, Richard, Howell, Libero J, Bartolotti, Tadeusz E, Kleindienst, Surender M, Kaushik, Edward O, Edney
Publikováno v:
The journal of physical chemistry. A. 123(4)
A computational protocol is employed to glean new insight into the kinetics of several 1,5-hydrogen atom (H) shift reactions subsequent to first- and second-generation OH/ O2 additions to isoprene. The M06–2X density functional was initially used w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b608419fc30aff9eb0dabd473422d6eb
https://pubmed.ncbi.nlm.nih.gov/30589543
https://pubmed.ncbi.nlm.nih.gov/30589543
Publikováno v:
The Journal of Physical Chemistry A. 120:7732-7744
Electronic structure, binding energies, and spectral characteristics of functionalized asymmetric dicationic ionic liquids (DILs) composed of quaternary ammonium cations substituted with the ethoxyethyl and allyl/3-phenylpropyl/methoxyethoxyethyl/pen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::98799afcbddf032dd9f7aec6fc6148f4
https://doi.org/10.1021/acs.jpca.6b07337
https://doi.org/10.1021/acs.jpca.6b07337
Publikováno v:
Organometallics. 35:1861-1865
The nudged elastic band (NEB) method has been used to re-examine the oxidative addition step in the classic rhodium-catalyzed hydroacylation reaction. Numerous additional intermediates were found on a pathway that is lower in energy than that origina
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c11d6876c1bf8f6072dda0bdebc2c89
https://doi.org/10.1021/acs.organomet.6b00236
https://doi.org/10.1021/acs.organomet.6b00236
Publikováno v:
Chemical Physics. 464:46-54
The properties of the transition states for the electrophilic addition reactions of four molecules of the type HX (X = Br, Cl, F and OH) to 1-propene form 2-X propane by the Markovnikov mechanism have been calculated using density functional theory (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc1709b36b62a2217142c3fd9a2aa357
https://doi.org/10.1016/j.chemphys.2015.11.001
https://doi.org/10.1016/j.chemphys.2015.11.001
Autor:
Walter W. Weare, Eric Burns, Xinyu Wang, Tao Huang, Jia Yao, Libero J. Bartolotti, Stefan Franzen, Haoran Li
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 410:110-120
A kinetic study was conducted using five metallo-tetraphenylporphyrins (MTPPs) as catalysts for the aerobic oxidation reaction of β-isophorone (β-IP) to ketoisophorone (KIP). The oxidation reaction catalyzed by MTPPs (M = Cr, Mn, Fe, Co and Cu) was
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eaf01e8ef18fa443ad88d18acdb637b2
https://doi.org/10.1016/j.molcata.2015.09.015
https://doi.org/10.1016/j.molcata.2015.09.015