1989
DOI: 10.1021/ac00189a012
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Competitive binding of protons and metal ions in humic substances by lanthanide ion probe spectroscopy

Abstract: A pH-dependent, continuous, multlllgand model Is described. It Is based on the Gaussian distribution model, which has been used to describe both proton binding by humic substances as well as metal binding by humic substances. However, the Gaussian distribution model has never been used to describe the competitive binding of the metalated and protonated ligand species. The Inclusion of pH dependence should allow one to predict metal binding constants that are more representative of the true thermodynamic bindin… Show more

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Cited by 55 publications
(26 citation statements)
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“…Indeed, increasing the pH should, in the absence of a chelator, favor Fe(III) hydrolysis and precipitation, especially at pH 8 (34), and hence be deleterious to the cells. Modeling calculations suggest that as the pH increases, a greater proportion of Fe(II) is bound to humic substances, which can be explained if Fe(II) and protons compete for carboxylic binding sites on humic substances (13,39). However, over the range of pHs tested, protonation is not expected to significantly affect NTA speciation or its binding to Fe(II), which is consistent with our observation that the Fe(II) oxidation rate is indifferent to the pH when Fe(II)-NTA is the substrate.…”
Section: Discussionmentioning
confidence: 99%
“…Indeed, increasing the pH should, in the absence of a chelator, favor Fe(III) hydrolysis and precipitation, especially at pH 8 (34), and hence be deleterious to the cells. Modeling calculations suggest that as the pH increases, a greater proportion of Fe(II) is bound to humic substances, which can be explained if Fe(II) and protons compete for carboxylic binding sites on humic substances (13,39). However, over the range of pHs tested, protonation is not expected to significantly affect NTA speciation or its binding to Fe(II), which is consistent with our observation that the Fe(II) oxidation rate is indifferent to the pH when Fe(II)-NTA is the substrate.…”
Section: Discussionmentioning
confidence: 99%
“…The most recent version of CHEAQS now incorporates WHAM V in its data base. Conversely, the program MINTEQA2 gives the user three options to model DOC; Gaussian [91], NICA-Donnan [79] and the Stockholm humic acid model [8,23].…”
Section: Discussionmentioning
confidence: 99%
“…The traditionally unfriendly interface of this code has led to the development of at least two commercial versions, MINEQL+ (www.mineql.com) and MINTEQA2 for Windows (www.allisongeoscience.com), and a freely distributed version (www.lwr.kth.se/English/OurSoftware/vminteq/). MINTEQA2 incorporates a relatively unsophisticated way of modelling NOM binding: it includes a Gaussian distribution model based on the assumption that NOM is a complex mixture of various functional groups which comprise a population of binding sites and that the probability of occurrence of a binding site is normally distributed with respect to its log K value for metal or proton binding [10,11]. Both publications include data for humic substances.…”
Section: Speciation Modellingmentioning
confidence: 99%