Document Detail

From proton nuclear magnetic resonance spectra to pH. Assessment of 1H NMR pH indicator compound set for deuterium oxide solutions.
MedLine Citation:
PMID:  19616695     Owner:  NLM     Status:  MEDLINE    
In this study, a protocol for pH determination from D(2)O samples using (1)H NMR pH indicator compounds was developed and assessed by exploring the pH-dependency of 13 compounds giving pH-dependent (1)H NMR signals. The indicators cover the pH range from pH(*) 0 to 7.2. Equations to transform the indicator chemical shifts to pH estimates are given here for acetic acid, formic acid, chloroacetic acid, dichloroacetic acid, creatine, creatinine, glycine, histidine, 1,2,4-triazole, and TSP (2,2,3,3-tetradeutero-3-(trimethylsilyl)-propionic acid). To characterize the method in presence of typical solutes, the effects of common metabolites, albumin and ionic strength were also evaluated. For the ionic strengths, the effects were also modelled. The experiments showed that the use of pH sensitive (1)H NMR chemical shifts allows the pH determination of typical metabolite solutions with accuracy of 0.01-0.05 pH units. Also, when the ionic strength is known with accuracy better than 0.1 mol dm(-3) and the solute concentrations are low, pH(nmr)(*) (the NMR estimate of pH) can be assumed to be within 0.05 pH units from potentiometrically determined pH.
Tuulia Tynkkynen; Mika Tiainen; Pasi Soininen; Reino Laatikainen
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Publication Detail:
Type:  Journal Article     Date:  2009-06-24
Journal Detail:
Title:  Analytica chimica acta     Volume:  648     ISSN:  1873-4324     ISO Abbreviation:  Anal. Chim. Acta     Publication Date:  2009 Aug 
Date Detail:
Created Date:  2009-07-20     Completed Date:  2009-09-18     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0370534     Medline TA:  Anal Chim Acta     Country:  Netherlands    
Other Details:
Languages:  eng     Pagination:  105-12     Citation Subset:  IM    
Laboratory of Chemistry, Department of Biosciences, University of Kuopio, 70211 Kuopio, Finland.
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MeSH Terms
Deuterium Oxide / chemistry*
Hydrogen-Ion Concentration
Magnetic Resonance Spectroscopy / methods*
Organic Chemicals / analysis,  chemistry
Osmolar Concentration
Reg. No./Substance:
0/Organic Chemicals; 0/Protons; 0/Solutions; 7789-20-0/Deuterium Oxide

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