Utilize este identificador para referenciar este registo: http://hdl.handle.net/10400.14/18861
Título: Determination of Noncovalent Binding Using a Continuous Stirred Tank Reactor as a Flow Injection Device Coupled to Electrospray Ionization Mass Spectrometry
Autor: Santos, Inês C.
Waybright, Veronica B.
Fan, Hui
Ramirez, Sabra
Mesquita, Raquel B.R.
Rangel, António O. S. S.
Fryčák, Petr
Schug, Kevin A.
Palavras-chave: Binding constants
Electrospray ionization mass spectrometry
Controlled band dispersion
Controlled band dispersion
Data: 2015
Citação: SANTOS, Inês C.; WAYBRIGHT, Veronica B.; FAN, Hui; RAMIREZ, Sabra; MESQUITA, Raquel B.R.; RANGEL, António O. S. S.; FRYČÁK, Petr; SCHUG, Kevin A. - Determination of Noncovalent Binding Using a Continuous Stirred Tank Reactor as a Flow Injection Device Coupled to Electrospray Ionization Mass Spectrometry. Journal of the American Society for Mass Spectrometry. ISSN: 1044-0305. Vol. 26, N.º 7 (2015), p. 1204-1212
Resumo: Described is a new method based on the concept of controlled band dispersion, achieved by hyphenating flow injection analysis with ESI-MS for noncovalent binding determinations. A continuous stirred tank reactor (CSTR) was used as a FIA device for exponential dilution of an equimolar host-guest solution over time. The data obtained was treated for the noncovalent binding determination using an equimolar binding model. Dissociation constants between vancomycin and Ac- Lys(Ac)-Ala-Ala-OH peptide stereoisomers were determined using both the positive and negative ionization modes. The results obtained for Ac-L-Lys(Ac)-D-Ala-D-Ala (a model for a Gram-positive bacterial cell wall) binding were in reasonable agreement with literature values made by other mass spectrometry binding determination techniques. Also, the developed method allowed the determination of dissociation constants for vancomycin with Ac- L-Lys(Ac)-D-Ala-L-Ala, Ac-L-Lys(Ac)-L-Ala-D-Ala, and Ac-L-Lys(Ac)-L-Ala-L-Ala. Although some differences in measured binding affinities were noted using different ionization modes, the results of each determination were generally consistent. Differences are likely attributable to the influence of a pseudo-physiological ammonium acetate buffer solution on the formation of positively- and negatively-charged ionic complexes.
Peer review: yes
URI: http://hdl.handle.net/10400.14/18861
DOI: http://dx.doi.org/10.1007/s13361-015-1113-2
Aparece nas colecções:CBQF - Artigos em revistas internacionais com Arbitragem / Papers in international journals with Peer-review

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