Thermodynamics of interactions of Na+ ion with 15-crown-5 ether in the mixtures of water with dimethylsulfoxide at 298.15 K

Jóźwiak, Małgorzata; Piekarski, Henryk; Jóźwiak, Andrzej

doi:10.1016/s0167-7322(03)00017-5

Cited by 14 publications

(3 citation statements)

References 33 publications

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“…The change in enthalpy (ΔH=−23 kJ mol −1 ) for the 1 : 1 complexation between Na + and 15C5 ether is slightly larger than that previously reported in DMF [59] and DMSO [60] (ΔH=−20 and −15 kJ mol −1 , respectively) and is attributed to the use of anhydrous DMSO‐d 6 . The presence of water significantly reduces the binding of Na + to 15C5 ether.…”

Section: Resultscontrasting

confidence: 55%

Towards a Molecular Understanding of Cation‐Anion Interactions and Self‐aggregation of Adeninate Salts in DMSO by NMR and UV Spectroscopy and Crystallography

2021

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Rare anionic forms of nucleic acids play a significant biological role and lead to spontaneous mutations and replication and translational errors. There is a lack of information surrounding the stability and reactivity of these forms. Ion pairs of monosodium and -potassium salts of adenine exist in DMSO solution with possible cation coordination sites at the N1, N7 and N9 atoms of the purine ring. At increasing concentrations π-π stacked dimers are the predominant species of aggregates followed by higher order aggregation governed by coordination to metal cations in which the type of counter ion present has a central role in the aggregate formation.

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Section: Resultscontrasting

confidence: 55%

Towards a Molecular Understanding of Cation‐Anion Interactions and Self‐aggregation of Adeninate Salts in DMSO by NMR and UV Spectroscopy and Crystallography

2021

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“…For AH + , in an exemplary case of A being diethyl ether, which is one of the weakest coordinating molecules, and M being CHCA, the concentration of AH + would be 2.4 × 10 -4 M assuming that the pKa of 3.5 in water for the conjugate acid of diethyl ether 43,44 and 1.17 in water for CHCA 27 can be used here, and the sample consists 10 pmol analyte in 25 nmol matrix. For A⁞Met + , in an exemplary case of A being 15-crown-5, Met + being Na + , and M being CHCA, the concentration of A⁞Met + would be 2.2 × 10 -5 M, which corresponds to a ratio of 7.3 × 10 -3 for A⁞Met + over A, assuming that the equilibrium constant 2.8 in water [45][46][47] can be used for equation (14), 1 µL typical LC-MS grade water with 0.2 ppm Na + is used to prepare the sample, and the sample consists 10 pmol analyte in 25 nmol CHCA (molar volume 133 mL/mol). Again, it is noted that the pKa values and equilibrium constant from the literature may be significantly different from the actual values in solid MALDI MS samples and estimations may be far away from being accurate.…”

Section: Nucleic Acid Ionization Ion Pair Formation Ion Neutralization and Ion Yield Estimationmentioning

confidence: 99%

The Ion Pair Thermal Model of MALDI MS

Fang

2021

Preprint

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The ion pair thermal model for MALDI MS is described. Key elements of the model include thermal desorption and ionization, strong tendency to neutralization via ion pair formation and proton transfer in the gas phase, thermal equilibrium, overall charge neutral plume, and thermal energy assisted free ion generation via ion pair separation by ion extraction potential. The quantities of ions in the solid sample and in the gaseous plume are estimated. Ion yields of different classes of molecules including peptides, nucleic acids, permanent salts and neutral molecules are estimated at the macroscale and single ion pair levels. The estimated ion yields are close to experimentally observed values under certain assumptions. Explanations of several observations in MALDI MS such as mostly single-charged peaks, improvement of spectra by ammonium cation, and ion suppression are provided. We expect that the model can give insights for the design of new conditions and systems for improving the sensitivity and resolution of MALDI MS and improving its capability and reliability to analyze large biomolecules.

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“…[4][5][6][7][8][9][10] However, the studies on the influence of solvent on formation of the crown ether-cation complexes are few, particularly in the mixed solvents. [1][2][3]11,12 Furthermore, crown ether-ammonium complexes are of fundamental interest as prototypical systems involving multiple hydrogen bonds. Study of these simple multiply-bound complexes is a promising means of gaining insight into much more complex macromolecular systems, such as those involved in protein folding or in the pairing of nucleo bases in polymetric nucleus acids.…”

Section: Introductionmentioning

confidence: 99%

Conductance and Thermodynamic Study of the Complexation of Ammonium Ion with Different Crown Ethers in Binary Nonaqueous Solvents

Khayatian¹,

Karoonian²

2008

J Chinese Chemical Soc

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A conductance study of the interaction between ammonium ion and 18-Crown-6 (18C6), dicyclohexano-18-crown-6 (DC18C6), ditertbutyl-dicyclohexano-18-crown-6 (t-bu) 2 DC18C6, diaza-15-crown-5 (DA15C5), dibenzo-21-crown-7 (DB21C7) and N-Phenylaza-15-crown-5 (NPA15C5) in acetonitril-dimethylsulfoxide mixture was carried out at various temperatures. The formation constants of the resultant 1:1 complexes were determined from the molar conductance-mole ratio data and found to vary in the order of DA15C5 > DC18C6 > 18C6 > (t-bu) 2 DC18C6 > DB21C7 > NPA15C5.The enthalpy and entropy of the complexation reactions were determined from the temperature dependence of the formation constants.

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Thermodynamics of interactions of Na+ ion with 15-crown-5 ether in the mixtures of water with dimethylsulfoxide at 298.15 K

Cited by 14 publications

References 33 publications

Towards a Molecular Understanding of Cation‐Anion Interactions and Self‐aggregation of Adeninate Salts in DMSO by NMR and UV Spectroscopy and Crystallography

Towards a Molecular Understanding of Cation‐Anion Interactions and Self‐aggregation of Adeninate Salts in DMSO by NMR and UV Spectroscopy and Crystallography

The Ion Pair Thermal Model of MALDI MS

Conductance and Thermodynamic Study of the Complexation of Ammonium Ion with Different Crown Ethers in Binary Nonaqueous Solvents

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