On the Assessment of Complex Cation - Crown Ether Equilibria by Electrospray Mass Spectrometry

Fyles, Thomas M.; Zeng, B.

doi:10.1080/10610279808055406

Cited by 14 publications

(6 citation statements)

References 27 publications

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“…On the basis of these results, they chose the metal-ligand systems to be analyzed by potentiometric titrations. The work of Fyles & Zeng (1998) showed that also in host-guest studies ESI-MS results may not agree with traditional techniques ones. They observed a variety of mononuclear and polynuclear complexes as mono, di, and trications in mixtures of alkali metal and alkaline earth cations with two 18-crown-6 carboxylic acid crown ethers, a biscrown ether, and a mono crown ether dicarboxylic acid.…”

Section: Applications To Host-guest Systemsmentioning

confidence: 80%

“…As a consequence, the qualitative and quantitative data obtained by ESI-MS may not represent exactly the properties of the solution under examination prior to the mass analysis (Hiraoka, Murata, & Kudaka, 1995;Arakawa et al, 1996;Shahgholi et al, 1997;Fyles & Zeng, 1998;Wang & Agnes, 1999a;Constantopoulos, Jackson, & Enke, 2000;Sutrisno et al, 2001). In some cases, even the structures of the species may change (Rogalewicz, Hoppilliard, & Ohanessian, 2000.…”

Section: Possible Solution Perturbationsmentioning

confidence: 95%

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Electrospray mass spectrometry (ESI‐MS) in the study of metal–ligand solution equilibria

Marco¹,

Bombi²

2005

Mass Spectrometry Reviews

326

256

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In the 20 years, since the introduction of electrospray mass spectrometry (ESI-MS), the use of this technique in various fields of inorganic, organometallic, and analytical chemistry has been steadily increasing. In this study, the application of ESI-MS to the study of metal-ligand solution equilibria is reviewed (till 2004 included). In a first section, advantages and drawbacks of ESI-MS in this type of application are described. Subsequently, a list of ca. 300 studies is reported, in which ESI-MS was used to give number and stoichiometry of the species at equilibrium, or also to estimate their stability constants. All studies are classified according to the metal ions under examination. Other related applications, such as host-guest interactions and metal ion-protein binding studies, are briefly reviewed as well.

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Section: Applications To Host-guest Systemsmentioning

confidence: 80%

Section: Possible Solution Perturbationsmentioning

confidence: 95%

Electrospray mass spectrometry (ESI‐MS) in the study of metal–ligand solution equilibria

Marco¹,

Bombi²

2005

Mass Spectrometry Reviews

326

256

View full text Add to dashboard Cite

show abstract

“…The nature of the solvent will affect the absolute instrumental response of the ions as well, so we might expect water to have quite different effects compared to dichloromethane, and we would expect methanol and acetonitrile to have effects somewhere between the two extremes [12] [14] . The situations in which bias occurs must be understood and accounted for in order that any ESI-MS data have real quantitative meaning [15] .…”

Section: Introductionmentioning

confidence: 99%

Solvent effects on surface activity of aggregate ions in electrospray ionization

Pape

Vikse

Janusson

et al. 2014

International Journal of Mass Spectrometry

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A principal feature of electrospray ionization (ESI) is the transfer of ions in solution into the gas-phase for analysis by mass spectrometry. The electrospray process is intricate and therefore each stage of the process must be well-characterized in order to optimize the quality of the data obtained. The surface activity of a given ion is a substantial factor in its likelihood of evaporating from droplets formed by the electrospray, and leads to a differential response of one ion over another. Consequently, investigation of the response of a variety of ions in multiple solvents lends insight toward both desolvation processes and the surface activity of the ions studied in the chosen solvent. In the present work, a cationic ionic liquid, butyl methylimidazolium (BMIM), was paired with a counterion and mixed in various solvents. Subsequently, BMIM paired with a different counterion was added to the solution and analyzed by ESI mass spectrometry to determine the relative response ratio between two observable aggregates. The findings assist in the elucidation of differential surface activity of chemically distinct ions in ESI, with respect to changes in solvent. Furthermore, the results obtained suggest acetonitrile is an optimal solvent for the analysis of ions of this type due to a reduction in differential effects, whereas other common ESI solvents prove to enhance the surface activity of specific aggregate ions.

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“…The determination of binding selectivities by measuring the ratio of two complexes when two ligands are in competition (equimolar mixture) for a given substrate15, 20–31 is also based on a similar approximation: the response factors of the two complexes are supposed to be the same. In the case of a competition experiment between ligands B and C for the substrate A, it is therefore assumed that …”

Section: Introductionmentioning

confidence: 99%

Influence of response factors on determining equilibrium association constants of non‐covalent complexes by electrospray ionization mass spectrometry

et al. 2003

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A method for determining the equilibrium association constant of a complexation reaction A + B left harpoon over right harpoon AB by electrospray ionization mass spectrometry is described. The method consists in measuring the relative intensities of the peaks corresponding to A and to AB in equimolar A-B solutions at different concentrations C(0). The results are fitted by a non-linear least-squares procedure, with the two variable parameters being the equilibrium association constant K(a) and a factor R, defined by I(AB)/I(A) = R x [AB]/[A]. The factor R is the ratio between the response factors of AB and A, and corrects for the relative electrospray responses of the complex and the free substrate A, mass discrimination of instrumental origin and/or moderate in-source dissociation. The method is illustrated with the following two systems: complexes between a double-stranded 12-base pair oligonucleotide and minor groove binders, and cyclodextrin complexes with alpha,omega-dicarboxylic acids. For the oligonucleotide complexes, it is found that the response of the complex is not dramatically different to the response of the free oligonucleotide duplex, as the double helix conformation is disturbed by the drug only to a minor extent. In the case of cyclodextrin complexes, these complexes were found to have a much higher response than free cyclodextrin. This may be due to the fact that cyclodextrin is neutral in solution, whereas the complex is charged, but it can also stem from the fact that a significant proportion of the complex is in a non-inclusion geometry. The present method requires the exact determination of the concentrations of the reactants and is applicable to 1 : 1 complexes.

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On the Assessment of Complex Cation - Crown Ether Equilibria by Electrospray Mass Spectrometry

Cited by 14 publications

References 27 publications

Electrospray mass spectrometry (ESI‐MS) in the study of metal–ligand solution equilibria

Electrospray mass spectrometry (ESI‐MS) in the study of metal–ligand solution equilibria

Solvent effects on surface activity of aggregate ions in electrospray ionization

Influence of response factors on determining equilibrium association constants of non‐covalent complexes by electrospray ionization mass spectrometry

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