| Literature DB >> 17070697 |
Raul A Izquierdo1, Cristina M Barros, M Graça Santana-Marques, A J Ferrer-Correia, Eduarda M P Silva, Francesca Giuntini, Maria A F Faustino, João P C Tomé, Augusto C Tomé, Artur M S Silva, Graça P M S Neves, J A S Cavaleiro, Andreia F Peixoto, Mariette M Pereira, Alberto A C C Pais.
Abstract
Electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (ESI-MS/MS) have been used to differentiate the 2- and 4-methylpyridyl isomers of free-base and metallated cationic beta-vinylpyridylporphyrins. The analysis by ESI-MS/MS of the deuterated analogs and semiempirical calculations of structural and electronic parameters were also undertaken. The two free-base isomers are easily differentiated by ESI-MS/MS but the presence of a metallic center renders differentiation of the metallated isomers less effective. The data acquired show that of all the studied compounds, the free-base 2-methylpyridyl isomer, which was operative in the in vitro photoinactivation of Herpes simples virus, has a different gas-phase behavior. Local distortion of the macrocycle due to the presence of the beta-vinylpyridyl substituent occurs for all the compounds, but a different electron density distribution can account for the observed gas-phase behavior of this potential virus photoinactivator.Entities:
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Year: 2006 PMID： 17070697 DOI： 10.1016/j.jasms.2006.09.010
Source DB: PubMed Journal: J Am Soc Mass Spectrom ISSN： 1044-0305 Impact factor: 3.109