Fluorine bonding enhances the energetics of protein-lipid binding in the gas phase

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dc.contributor.authorKlassen, John S.
dc.contributor.authorDerda, Ratmir
dc.contributor.authorNg, Simon
dc.contributor.authorBailey, Justin
dc.contributor.authorBaergen, Alyson
dc.contributor.authorLiu, Lan
dc.contributor.authorJalili, Nobar
dc.date.accessioned2025-05-01T12:10:57Z
dc.date.available2025-05-01T12:10:57Z
dc.date.issued2014
dc.descriptionThis paper reports on the first experimental study of the energies of noncovalent fluorine bonding in a protein-ligand complex in the absence of solvent. Arrhenius parameters were measured for the dissociation of gaseous deprotonated ions of complexes of bovine β-lactoglobulin (Lg), a model lipid-binding protein, and four fluorinated analogs of stearic acid (SA), which contained (X =) 13, 15, 17, or 21 fluorine atoms. In all cases, the activation energies (Ea) measured for the loss of neutral XF-SA from the (Lg + XF-SA)7– ions are larger than for SA. From the kinetic data, the average contribution of each > CF2 group to Ea was found to be ~1.1 kcal mol–1, which is larger than the ~0.8 kcal mol–1 value reported for > CH2 groups. Based on these results, it is proposed that fluorocarbon–protein interactions are inherently stronger (enthalpically) than the corresponding hydrocarbon interactions.
dc.identifier.doihttps://doi.org/10.7939/R3HH6CK61
dc.language.isoen
dc.relationhttp://doi.org/10.1007/s13361-014-0837-8
dc.relation.isversionofLiu, L., Jalili, N., Baergen, A., Ng, S., Bailey, J., Derda, R., & Klassen, J. S. (2014). Fluorine bonding enhances the energetics of protein-lipid binding in the gas phase. Journal of the American Society for Mass Spectrometry, 25(5), 751-757. http://doi.org/10.1007/s13361-014-0837-8
dc.rights© 2014 Liu, L., Jalili, N., Baergen, A., Ng, S., Bailey, J., Derda, R., & Klassen, J. S. This version of this article is open access and can be downloaded and shared. The original author(s) and source must be cited.
dc.subjectEnergetics
dc.subjectProtein-ligand complexes
dc.subjectMolecular recognition
dc.subjectFluorine bonding
dc.subjectHydrophobic interactions
dc.titleFluorine bonding enhances the energetics of protein-lipid binding in the gas phase
dc.typehttp://purl.org/coar/resource_type/c_6501 http://purl.org/coar/version/c_970fb48d4fbd8a85
ual.jupiterAccesshttp://terms.library.ualberta.ca/public

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