Zobrazeno 1 - 10
of 152
pro vyhledávání: '"Charles E. Hudson"'
Publikováno v:
European Journal of Mass Spectrometry. 26:187-194
The question of whether [CH2OH]+ should be described as the hydroxymethyl cation, +CH2OH, or protonated formaldehyde, CH2=OH+, is reconsidered in the light of experimental information and new computational evidence. Previous arguments that the charge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9917610ee25f5eec28252c8294314153
https://doi.org/10.1177/1469066719894969
https://doi.org/10.1177/1469066719894969
Autor:
Mibel M Pabon, Jennifer N Jernberg, Josh Morganti, Jessika Contreras, Charles E Hudson, Ronald L Klein, Paula C Bickford
Publikováno v:
PLoS ONE, Vol 7, Iss 9, p e45256 (2012)
Inflammation in the brain plays a major role in neurodegenerative diseases. In particular, microglial cell activation is believed to be associated with the pathogenesis of neurodegenerative diseases, including Parkinson's disease (PD). An increase in
Externí odkaz:
https://doaj.org/article/682193a7fb3a468c8a854fb92f4c812f
Publikováno v:
International Journal of Mass Spectrometry. 266:8-14
We use theory to determine the relative rates of 4-, 5- and 6-membered ring H-transfers in closed shell cations, a comparison not possible experimentally due to interference from competing processes. H-transfers of increasing ring size were character
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b1aab59014fb994f4e24666cd99a8b68
https://doi.org/10.1016/j.ijms.2007.06.008
https://doi.org/10.1016/j.ijms.2007.06.008
Autor:
David J. McAdoo, Charles E. Hudson
Publikováno v:
Journal of the American Society for Mass Spectrometry. 18:270-278
H-transfers by 4-, 5-, and 6-membered ring transition states to the pi-bonded methylene of CH3CH2CH2NH+=CH2 (1) are characterized by theory and compared with the corresponding transfers in cation radicals. Four-membered ring H-transfers converting 1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ce73552cd37dca4e021f771c1a09c76
https://doi.org/10.1016/j.jasms.2006.09.024
https://doi.org/10.1016/j.jasms.2006.09.024
Publikováno v:
International Journal of Mass Spectrometry. :120-129
The reactions leading to dissociation of the metastable enol isomers of 2-butanone have a puzzling feature: why does CH3C( OH+)CH2C H2 (2) isomerize to the less stable 2-butanone cation (3) and dissociate to the exclusion of conversion to CH2 C(OH+ )
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a351258ce0356ca6ac69bc85d02a426a
https://doi.org/10.1016/j.ijms.2005.12.053
https://doi.org/10.1016/j.ijms.2005.12.053
Autor:
David J. McAdoo, Charles E. Hudson
Publikováno v:
International Journal of Mass Spectrometry. 248:103-107
To advance our understanding of 1,2-eliminations, ab initio and density functional theories are used to characterize the elimination of CH4 from (CH3)3O+. The reaction begins with the extension of a CO bond. Near the transition state, the carbon of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::34bd9f1f6c18e2d1acb1df5a7b258f1f
https://doi.org/10.1016/j.ijms.2005.11.005
https://doi.org/10.1016/j.ijms.2005.11.005
Publikováno v:
International Journal of Mass Spectrometry. 236:105-116
Structures, energies and reaction coordinates for much of the C4H8 + potential surface were obtained by ab initio and density functional theories. Most C4H8 + isomers are demonstrated to be mutually accessible below the threshold for the lowest energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::199061b631c577f94ed3aa6c72aa3f06
https://doi.org/10.1016/j.ijms.2004.06.003
https://doi.org/10.1016/j.ijms.2004.06.003
Autor:
David J. McAdoo, Charles E. Hudson
Publikováno v:
International Journal of Mass Spectrometry. 232:17-24
Assorted reactions of C 2 H 5 O + isomers are characterized by theory, including tracing their courses by means of intrinsic reaction coordinate computations. We establish that CH 3 CHOH + eliminates methane by transferring H from oxygen to a meth
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d374943f1b8c133e9105cceeab67b4ed
https://doi.org/10.1016/j.ijms.2003.11.001
https://doi.org/10.1016/j.ijms.2003.11.001
Publikováno v:
International Journal of Mass Spectrometry. 228:955-967
Experimental evidence indicates that CH 4 elimination from C 4 H 9 + forms CH 3 C + CH 2 , suggesting a 1,2-process. This reaction releases appreciable translational energy, and is formally Woodward–Hoffmann forbidden. However, according to its
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b2a21a81c82a270ea0edf6360c90d56
https://doi.org/10.1016/s1387-3806(03)00238-0
https://doi.org/10.1016/s1387-3806(03)00238-0
Autor:
David J. McAdoo, Charles E. Hudson
Publikováno v:
The Journal of Organic Chemistry. 68:2735-2740
Reports in the literature place the TS for the [1,3]-H shift in propene comparable to or higher in energy than loss of the allylic H. However, [1,3]-H shifts have been repeatedly observed experimentally in enolates. We used GAUSSIAN 98 to examine the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9519ac30816ae3a19659b3feed3f85d8
https://doi.org/10.1021/jo020624i
https://doi.org/10.1021/jo020624i