Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Stephen W. C. Walker"'
Autor:
Stephen W. C. Walker, Ahdia Anwar, Jarrod M. Psutka, Jeff Crouse, Chang Liu, J. C. Yves Le Blanc, Justin Montgomery, Gilles H. Goetz, John S. Janiszewski, J. Larry Campbell, W. Scott Hopkins
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
The fast and accurate determination of molecular properties is particularly crucial in drug discovery. Here, the authors employ supervised machine learning to treat differential mobility spectrometry – mass spectrometry data for ten classes of drug
Externí odkaz:
https://doaj.org/article/e5545143641641f8afbe1987126bcf2f
Autor:
Stephen W. C. Walker, W. Scott Hopkins, J. Larry Campbell, Mircea Guna, Ce Zhou, Patrick J. J. Carr, Neville J. A. Coughlan
Publikováno v:
Journal of the American Society for Mass Spectrometry. 31(2)
We describe the modification of a commercially available tandem differential mobility mass spectrometer (DMS) that has been retrofitted to facilitate photodissociation (PD) of differential mobility-separated, mass-selected molecular ions. We first sh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67865cae6008a1bdd9c8696fda2b5f4e
https://pubmed.ncbi.nlm.nih.gov/32031386
https://pubmed.ncbi.nlm.nih.gov/32031386
Autor:
W. Scott Hopkins, Jarrod Psutka, Justin I. Montgomery, Chang Liu, Ahdia Anwar, J. C. Yves Le Blanc, Jeff Crouse, John S. Janiszewski, Gilles H. Goetz, Stephen W. C. Walker, J. Larry Campbell
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
Nature Communications
Nature Communications
The fast and accurate determination of molecular properties is highly desirable for many facets of chemical research, particularly in drug discovery where pre-clinical assays play an important role in paring down large sets of drug candidates. Here,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21df5a854d375c72eadbff2658a1c800
https://doaj.org/article/e5545143641641f8afbe1987126bcf2f
https://doaj.org/article/e5545143641641f8afbe1987126bcf2f
Autor:
John S. Janizewski, Jarrod Psutka, W. Scott Hopkins, J. Larry Campbell, Stephen W. C. Walker, Ahdia Anwar, Thorsten Dieckmann
Publikováno v:
International Journal of Mass Spectrometry. 429:174-181
The protonated nucleobases (C + H)+, (T + H)+, (U + H)+, (A + H)+, and (G + H)+ are investigated in a combined experimental and computational study using differential mobility spectrometry (DMS), mass spectrometry, and electronic structure calculatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::127b6ccdb198c1b1b36308f222d9b827
https://doi.org/10.1016/j.ijms.2017.08.008
https://doi.org/10.1016/j.ijms.2017.08.008
Autor:
Alison Mark, Bogdan Bogdanov, J. Larry Campbell, Stephen W. C. Walker, W. Scott Hopkins, Brent R. Verbuyst
Publikováno v:
The Journal of Physical Chemistry A. 122:3858-3865
The site of protonation for gas-phase aniline has been debated for many years, with many research groups contributing experimental and computational evidence for either the amino-protonated or the para-carbon-protonated tautomer as the gas-phase glob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2149838b4debd85205d5e3f5878930bf
https://doi.org/10.1021/acs.jpca.7b10872
https://doi.org/10.1021/acs.jpca.7b10872
Publikováno v:
Inorganic Chemistry. 50:7317-7323
Vanadium atoms have been reacted with different partial pressures of propene in Ar under matrix-isolation conditions, and the products have been observed using Fourier transform infrared (FTIR) spectroscopy. Under dilute propene in Ar conditions, new
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee60d4880cd57b63560621416a75ff71
https://doi.org/10.1021/ic200934r
https://doi.org/10.1021/ic200934r