Selenium speciation : its role on selenium bioavailability

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Table of contents

1.- Introduction
1 1.1.- Mineral nanoparticles
1 1.1.1.- Imogolite nanotubes
1.2.- Selenium bioavailability in volcanic soils: relevance of imogolite nanotubes
1.3.- Diffraction techniques for structural studies of environmental nanoparticles
2.- Experimental and theoretical methods 
2.1.- Pair Distribution Function technique
2.2.- X-ray Absorption Spectroscopy
2.3.- Simulations
2.3.1.- Ab-initio DFT calculations
2.3.2.- Classical Molecular Dynamics and Monte Carlo simulations
2.3.2.1.- Molecular Dynamics method
2.3.2.2.- Monte Carlo method
3.- Selenite and selenate adsorption mechanisms at the synthetic and biogenic imogolite – water interface 
3.1.- Introduction
3.2.- Selenite and selenate adsorption mechanisms at the imogolite – water interface
4.- Molecular dynamics investigation of the structure of water at the imogolite and gibbsite – water interfaces: effect of the curvature on the hydrophilicity and surface acidity 
4.1.- Introduction
4.2.- Water structure and hydration properties of imogolite: ‘The nanotube effect’
5.- The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate 
5.1.- Introduction
5.2.- The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate
6.- Conclusions 
Annex I. Multi-scale characterization of synthetic imogolite
Annex II. Other publications