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Bacterial adsorption on mineral surface is one of the key steps in bioleaching process. The bacteria adsorb on the mineral surface via the extracellular polymeric substances (EPS) layer. In this paper, the behavior of glucuronic acid, one of the key substances in EPS layer, adsorbed on the pyrite surface is studied using DFT and electrochemical methods. Adsorption capacity of glucuronic acid is stronger than that of water. Glucuronic acid adsorbs on pyrite surfaces and it follows a mixed type of interactions (physisorption and chemisorption). Adsorption of glucuronic acid on pyrite surface followed Langmuir’s adsorption isotherm with adsorption standard free energy of –27.67kJ mol–1. The structural and electronic parameters were calculated and discussed.

Abstract: A novel polyoxometalate [Cu(phen)2]3{PW4 VIW5 VV3 IVO40(VIVO)3[Cu(en)2]}⋅4H2O 1 (en=ethylenediamine, phen=1,10-phenanthroline) has been synthesized hydrothermally and characterized by elemental analysis, IR, XPS, TG, EPR and single-crystal X-ray diffraction analysis. The crystal structure analysis shows that compound 1 contains a novel highly reduced tri-capped and mono-supported pseudo-Keggin-type heteropolyanion, {PW4 VIW5 VV3 IVO40(VIVO)3[Cu(en)2]}6−, three [Cu(phen)2]2+ cations and four lattice water molecules. They are further linked to form three-dimensional supramolecular networks through extensive hydrogen bonding and π–π stacking interactions. Interestingly, the water dimer and terminal oxygen of the cluster polyanion constitute a beautiful supramolecular helix chain. The heteropolyanion is the first example of tri-capped and mono-supported pseudo-Keggin-type tungstovanadophosphate and the pH value is crucial for obtaining compound 1 in synthetic procedure. [Copyright &y& Elsevier]

Abstract: Two novel polyoxometalate derivatives, {X IVWVI 10WV 2O40[Cu(en)2(H2O)]3} [X=V (1), Si (2); en=ethylenediamine], have been hydrothermally synthesized and characterized by elemental analyses, IR, UV–Vis, XPS, EPR, TG and single crystal X-ray diffraction analyses. They represent the first classical Keggin polyoxoanion supported by three transition metal complex moieties, which further act as the neutral molecular unit for the construction of the interesting three-dimensional supramolecular frameworks. The magnetic properties of 1 have also been studied in the temperature range of 4–300K, and its magnetic susceptibility obeys the Curie–Weiss law, showing antiferromagnetic coupling. [Copyright &y& Elsevier]