Glyphosate complexation to aluminium(III). An equilibrium and structural study in solution using potentiometry, multinuclear NMR, ATR–FTIR, ESI-MS and DFT calculations

Purgel, Mihály; Takács, Zoltán; Jonsson, Caroline M.; Nagy, Lajos; Andersson, Ida; Bányai, István; Pápai, Imre; Persson, Per; Sjöberg, Staffan; Tóth, I.

doi:10.1016/j.jinorgbio.2009.06.011

Cited by 34 publications

(32 citation statements)

References 49 publications

(70 reference statements)

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“…The speciation of mesoporous γ-alumina surfaces was obtained using computer software WinSGW [35]; the surface acid base equilibrium constant for mesoporous γ-alumina was taken from our own published results [36]. …”

Section: Methodsmentioning

confidence: 99%

Sorption of phosphate onto mesoporous γ-alumina studied with in-situ ATR-FTIR spectroscopy

Zheng

Sun

Yang

et al. 2012

Chemistry Central Journal

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BackgroundDue to the extensive use of phosphates in industry, agriculture and households, the phosphate - γ-alumina interactions are important for understanding its detrimental contribution to eutrophication in lakes and rivers. In situ Fourier transform infrared (FTIR) spectroscopy can provide more detailed information on the adsorbate-adsorbent interaction and the formation of hydrogen bonds.ResultsIn situ ATR-FTIR spectroscopy was used to identify phosphate complexes adsorbed within the three-dimensional network of mesoporous γ-alumina at pH 4.1 and 9.0. The integrated intensity between 850 cm-1 and 1250 cm-1 was used as a relative measure of the amount of adsorbed phosphate. The integrated intensity proved to be about 3 times higher at pH 4.1 as compared with the corresponding intensity at pH 9.0. The adsorption of phosphate at the two pH conditions could be well described by the Langmuir adsorption isotherm at low concentrations and the empirical Freundlich adsorption isotherm for the whole concentration range, viz. 5 – 2000 μM.ConclusionsFrom the band shape of infrared spectra at pH 4.1 and pH 9.0, it was proposed that the symmetry of the inner-sphere surface complex formed between phosphate and γ-alumina was C1 at the lower pH value, whilst the higher value (9.0) implied a surface complex with C2v or C1 symmetry. The difference in adsorbed amount of phosphate at the two pH values was ascribed to the reduced fraction of ≡ AlOH2+ surface sites and the increased fraction of ≡ AlO- sites upon increasing pH from 4 to 9.

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Section: Methodsmentioning

confidence: 99%

Sorption of phosphate onto mesoporous γ-alumina studied with in-situ ATR-FTIR spectroscopy

Zheng

Sun

Yang

et al. 2012

Chemistry Central Journal

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“…We have already established that glyphosate likely induces excess protein phosphorylation due to its excitatory effects on kinases and inhibitory effect on phosphatases. However, glyphosate itself also binds aluminum, particularly through oligomeric complexation of an aluminum ion [208]. Thus, two molecules of a peptoid/peptide, both of which contain glyphosate, will likely become linked together via an aluminum ligand binding two embedded glyphosate residues, one in each peptide.…”

Section: Alzheimer's Disease Prions and β β β β β-Amyloidmentioning

confidence: 99%

Glyphosate pathways to modern diseases V: Amino acid analogue of glycine in diverse proteins

Samsel¹,

Seneff²

2016

JBPC

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“…Several studies [27][28][29] indicate a characteristic shielding at 0.000 ppm for hexa-coordinated aluminum. Therefore, peaks in the region of 0.000 ppm suggest octahedral arrangements.…”

Section: C Nmrmentioning

confidence: 99%

“…Hence, most of the products exhibited octahedral geometry, implied by its characteristic shielding (0.000 ppm). [27][28][29][30] The proposed structures of the binary complexes are depicted in Figure 6.…”

Section: C Nmrmentioning

confidence: 99%

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Multinuclear magnetic resonance study of equilibria between aluminum(III) and sulfur-containing amino acids in aqueous solutions

Tenório

2015

Journal of Sulfur Chemistry

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Aluminum(III) is generally found in small amounts in living organisms where it interacts with several biomolecules. Low mass biomolecules can form complexes associated with absorption and distribution processes of this toxic ion. However, investigating aluminum(III) complexes in solution poses singular difficulties, because it is highly hydrolyzable. Amino acids constitute possible ligands for aluminum(III). Methionine, cysteine and homocysteine are found in healthy human body. Penicillamine is a drug used in several circumstances, such as in treating metal poisoning. These four biomolecules share similar donor atoms involved in complexation reactions: a carboxylate oxygen, an amine nitrogen and sulfur. In this study, four binary complexes formed by aluminum(III) and amino acids in solution at a metalto-ligand ratio of 1:1 were analyzed through potentiometry and multinuclear magnetic resonance ( 13 C and 27 Al). Potentiometry data consistently demonstrated complexion formation. Distributions of species revealed the coexistence of several species in ample pH ranges and pointed out the preferable value to perform the NMR analyses. 13 C NMR data were used to confirm complexion formation, while 27 Al NMR data indicated the geometric arrangement adopted by the complexes. Structures were proposed for each complex.• Amino acids can form complexes related to the absorption and distribution of Al 3+ .• The techniques used were potentiometry, 13 C NMR and 27 Al NMR in solution.• The potentiometry reveals distribution of species according to pH of binary systems.• The 13 C NMR results indicate complexion formation.• The 27 Al NMR results indicate hexa-coordinated aluminum in the complex species.

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Glyphosate complexation to aluminium(III). An equilibrium and structural study in solution using potentiometry, multinuclear NMR, ATR–FTIR, ESI-MS and DFT calculations

Cited by 34 publications

References 49 publications

Sorption of phosphate onto mesoporous γ-alumina studied with in-situ ATR-FTIR spectroscopy

Sorption of phosphate onto mesoporous γ-alumina studied with in-situ ATR-FTIR spectroscopy

Glyphosate pathways to modern diseases V: Amino acid analogue of glycine in diverse proteins

Multinuclear magnetic resonance study of equilibria between aluminum(III) and sulfur-containing amino acids in aqueous solutions

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