Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
نویسندگان
چکیده
This article describes an experimental protocol using electrospray-ion mobility-mass spectrometry (ES-IM-MS) and energy-resolved threshold collision-induced dissociation (TCID) to measure the thermochemistry of negatively-charged [amb+M(II)+NTA]- ternary complexes into two product channels: [amb+M(II)] + NTA or [NTA+M(II)]- amb, where M = Zn Ni is nitrilotriacetic acid. The contain one alternative metal binding (amb) heptapeptides with primary structures acetyl-His1-Cys2-Gly3-Pro4-Tyr5-His6-Cys7 acetyl-Asp1-Cys2-Gly3-Pro4-Tyr5-His6-Cys7, amino acids' Aa1,2,6,7 positions are potential metal-binding sites. Geometry-optimized stationary states their products were selected from quantum chemistry calculations (presently PM6 semi-empirical Hamiltonian) by comparing electronic energies collision cross-sections (CCS) those measured ES-IM-MS. From frequency calculations, molecular parameters complex its model energy-dependent intensities channels a competitive TCID method determine reactions that relate 0 K enthalpies (ΔH0). Statistical mechanics thermal entropy corrections rotational vibrational frequencies provide 298 (ΔH298). These methods describe EI-IM-MS routine can equilibrium constants for range ion complexes.
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ژورنال
عنوان ژورنال: Journal of Visualized Experiments
سال: 2022
ISSN: ['1940-087X']
DOI: https://doi.org/10.3791/63722-v