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Determination of noncovalent binding using a continuous stirred tank reactor as a flow Injection device coupled to electrospray ionization mass spectrometry

2015Journal article Restricted access
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dc.contributor.authorSantos, Inês C.
dc.contributor.authorWaybright, Veronica B.
dc.contributor.authorFan, Hui
dc.contributor.authorRamirez, Sabra
dc.contributor.authorMesquita, Raquel B. R.
dc.contributor.authorRangel, António O. S. S.
dc.contributor.authorFryčák, Petr
dc.contributor.authorSchug, Kevin A.
dc.date.accessioned2016-01-08T11:35:35Z
dc.date.available2016-01-08T11:35:35Z
dc.date.issued2015
dc.description.abstractAbstract. 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 AcLys(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 AcL-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. Keywords: Binding constants, CSTR, Electrospray ionization mass spectrometry, Controlled band dispersion, Vancomycin, Alanine stereoisomerspt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersion
dc.identifier.citationSANTOS, 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. 1204-1212pt_PT
dc.identifier.doi10.1007/s13361-015-1113-2pt_PT
dc.identifier.eid84934907978
dc.identifier.eissn1879-1123
dc.identifier.issn1044-0305
dc.identifier.pmid25832030
dc.identifier.urihttp://hdl.handle.net/10400.14/18861
dc.identifier.wos000356538500016
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherSpringer
dc.relationCHE-0846310
dc.relationDEVELOPMENT OF AUTOMATIC MICROFLOW SYSTEMS FOR MONITORING MICROBIOGICAL, BIOCHEMICAL AND PHYSICO-CHEMICAL PARAMETERS IN BATHING WATERS
dc.subjectBinding constantspt_PT
dc.subjectCSTRpt_PT
dc.subjectElectrospray ionization mass spectrometrypt_PT
dc.subjectControlled band dispersionpt_PT
dc.titleDetermination of noncovalent binding using a continuous stirred tank reactor as a flow Injection device coupled to electrospray ionization mass spectrometrypt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleDEVELOPMENT OF AUTOMATIC MICROFLOW SYSTEMS FOR MONITORING MICROBIOGICAL, BIOCHEMICAL AND PHYSICO-CHEMICAL PARAMETERS IN BATHING WATERS
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F76012%2F2011/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/PEst-OE%2FEQB%2FLA0016%2F2013/PT
oaire.citation.endPage1212
oaire.citation.startPage1204
oaire.citation.titleJournal of The American Society for Mass Spectrometry
oaire.citation.volume26
oaire.fundingStream3599-PPCDT
person.familyNameSantos
person.familyNameFan
person.familyNameMesquita
person.familyNameSantos Silva Rangel
person.familyNameSchug
person.givenNameInês
person.givenNameHui
person.givenNameRaquel
person.givenNameAntónio Osmaro
person.givenNameKevin
person.identifierJ-4630-2013
person.identifier.ciencia-idEB1D-DEE3-0B60
person.identifier.ciencia-idD61D-7CFB-178A
person.identifier.orcid0000-0002-4609-7085
person.identifier.orcid0000-0003-0911-0794
person.identifier.orcid0000-0001-7745-1860
person.identifier.orcid0000-0002-6486-8947
person.identifier.orcid0000-0003-4817-9508
person.identifier.ridJ-4829-2013
person.identifier.ridM-1619-2017
person.identifier.ridJ-4630-2013
person.identifier.scopus-author-id36953321400
person.identifier.scopus-author-id7005556626
person.identifier.scopus-author-id7004827387
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsrestrictedAccesspt_PT
rcaap.typearticlept_PT
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