13C NMR and electrospray ionization mass spectrometric study of sucrose aqueous solutions at high pH: NMR measurement of sucrose dissociation constant

Popov, Konstantin; Sultanova, N. M.; Rönkkömäki, Hannu; Hannu-Kuure, M.; Jalonen, Jorma; Lajunen, Lauri H. J.; Bugaenko, I. F.; Tuzhilkin, V. I.

doi:10.1016/j.foodchem.2005.02.025

Cited by 19 publications

(8 citation statements)

References 6 publications

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“…It has to do with the formation of complexes with calcium. For sucrose, this requires pH above 11 for the first deprotonation to occur, which explains our choice of raising pH to study these admixtures.…”

Section: Resultsmentioning

confidence: 99%

Micro‐reactors to Study Alite Hydration

Suraneni

Flatt

2015

J. Am. Ceram. Soc.

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A new approach to study the early hydration reaction of alite is presented. It relies on milling micron-sized gaps into alite grains using a Focused Ion Beam. This provides for a "microreactor" in which hydration in confined conditions can be followed after introducing aqueous solutions of any desired composition. Hydration is followed by stopping the reaction at desired ages using solvent exchange and imaging the gaps using a Scanning Electron Microscope. These micro-reactors offer several advantages over conventional methods to monitor alite hydration. In particular, we can study the time evolution of dissolution in a reproducible manner using a setup that mimics particles in close contact. This paper presents this new methodology and applies it to studying the effects of solution composition and selected chemical admixtures on the dissolution of alite. New insights into the role of these factors are obtained and discussed.G. Scherer-contributing editor Manuscript No. 35925.

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Section: Resultsmentioning

confidence: 99%

Micro‐reactors to Study Alite Hydration

Suraneni

Flatt

2015

J. Am. Ceram. Soc.

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“…Recent developments of the NMR technique make it possible to now work with very dilute solutions. In case of the organophosphonates, concentrations C L~ 0.001 mol dm -3 are quite suitable for 31 P NMR titrations [28,29].…”

Section: Ligand Concentrationmentioning

confidence: 99%

“…Therefore, the equilibrium [OH -] cannot be equal to the total [OH -] added to the system. For this case (e.g., 0.1 mol dm -3 HL), another two-step procedure reported for sucrose dissociation constant measurements [31] is recommended. In the first step, the equilibrium [OH -] is taken as equal to the total [OH -] added, and the full titration curve is plotted, mathematically treated, and the pK a , δ L , and δ HL values are calculated.…”

Section: Ligand Concentrationmentioning

confidence: 99%

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Guidelines for NMR measurements for determination of high and low pKa values (IUPAC Technical Report)

Popov

Rönkkömäki

Lajunen

2006

Pure and Applied Chemistry

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Factors affecting the NMR titration procedures for the determination of pKa values in strongly basic and strongly acidic aqueous solutions (2 > pH > 0 and 14 > pH > 12) are analyzed. Guidelines for experimental procedure and publication protocols are formulated. These include: calculation of the equilibrium H+ concentration in a sample; avoidance of measurement with glass electrode in highly acidic (basic) solutions; exclusion of D2O as a solvent; use of an individual sample isolated from air for each pH value; use of external reference and lock compounds; use of a medium of constant ionic strength with clear indication of the supporting electrolyte and of the way the contribution of any ligand to the ionic strength of the medium is accounted for; use of the NMR technique in a way that eliminates sample heating to facilitate better sample temperature control (e.g., 1H-coupled NMR for nuclei other than protons, GD-mode, CPD-mode, etc.); use of Me4NCl/Me4NOH or KCl/KOH as a supporting electrolyte in basic solution rather than sodium salts in order to eliminate errors arising from NaOH association; verification of the independence of the NMR chemical shift from background electrolyte composition and concentration; use of extrapolation procedures.

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“…Here, just as in the case of calorimetry, spectrophotometry, and conductometry, competitive complexation is used to determine logK beyond the typical range of logK from 0 to 6. Thus, registration of the NMR 13 C spectrum [144] was used to determine a very low dissociation constant of the hydroxyl group of sucrose (logK -13.1) against dissociation of water. NMR 1 H and ChemEqui have been used at the Labo ratory of Supramolecular Chemistry of J. M. Lehn to determine the stability constants of supramolecular complexes of organic molecules formed as a result of complementary centers of hydrogen bonds [145].…”

Section: Relationship Of Measured Characteristic To Concentrationsmentioning

confidence: 99%

Supramolecular complexes: Determination of stability constants on the basis of various experimental methods

Соловьев

Tsivadze

2015

Prot Met Phys Chem Surf

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Stability constants and formation enthalpies of supramolecular complexes of crown ethers and their cyclic and acyclic analogues are determined on the basis of experimental data obtained by different physicochemical methods in the terms of a general approach developed and implemented in the ChemEqui software package. The established regularities of variation of stability of complexes are discussed as dependent on the ligand structure, nature of the cation, solvent, and anion. The applicability of the suggested method of determining complexation selectivity is shown for multicomponent equilibria in solutions.

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13C NMR and electrospray ionization mass spectrometric study of sucrose aqueous solutions at high pH: NMR measurement of sucrose dissociation constant

Cited by 19 publications

References 6 publications

Micro‐reactors to Study Alite Hydration

Micro‐reactors to Study Alite Hydration

Guidelines for NMR measurements for determination of high and low pKa values (IUPAC Technical Report)

Supramolecular complexes: Determination of stability constants on the basis of various experimental methods

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