In this paper, two models of humic acids, the Temple-Northeastern-Birmingham (TNB) and Kolla models, were studied. Also, the complexation reaction of the structures formed by the interaction of the TNB and Kolla models with Al3+, Ca2+, Mg2+, Zn2+, K+ and NH4+ cations, common in agricultural soils, was studied. These calculations were made for the complexes, at PM6 and DFT / LANL2DZ level of theory, both in vacuum and in aqueous medium. We found a strong affinity between Kolla and TNB models, and Al3+, Ca2+, Mg2+, Zn2+, K+ and NH4+ cations, influenced by the solvent that affected the interaction sites; the solvent increased the rate of reactivity and affinity for the cations in nucleophilic regions and decreased it in electrophilic regions of the structures. Calculations of molecular electronic potential, MEP and atomic charges, the local smoothness, Fukui functions and the HSAB principle adequately described the HA/cations interactions which were affected by the number of hydrogen bonds. The most reactive sites were the hydroxyl, phenolic, carbonyls oxygens and nitrogens at both vacuum and aqueous medium, especially carbonyl oxygens. These results are consistent with the properties of HA that make them attractive as components of agricultural soils.

Chitosan is a natural polymer derived from deacetylation of chitin, which exhibits properties such as biocompatibility, biodegradability and may form films, being applied in the food industry and medicine. Degradable chitosan films were prepared from chitosan extracted from shrimp shells and whey, using different concentrations of chitosan solution (1, 1.5, and 2% v/v), with (4:20, 6:20 and 8:20 v/v) whey proportions, for 4.5, 5.0 and 5.5 h at 60°C. Chitin extracted previously from shrimp shells was treated with a solution of 50% of NaOH to obtain chitosan with 80.72% deacetylation degree. This chitosan was dissolved in 1% (v/v) acetic acid, leading to the solutions that were then combined with whey. The films were characterized with infrared spectroscopy, and had thickness, density, solubility, transparency, swelling and degradability evaluated. The solubility and degradability of chitosan/whey films decreased with increasing chitosan concentration. The proportion of lactic serum affects the film swelling, and the thickness and density increased with whey relative concentration.

El quitosano es un polímero natural derivado de la desacetilación de la quitina con propiedades tales como biocompatibilidad, biodegradabilidad y formación de filmes, de gran aplicación en el campo de la industria, alimentación y medicina. Los filmes a base de quitosano y lactosuero fueron preparados teniendo en cuenta la concentración de la solución de quitosano (1; 1.5 y 2% v/v), la relación en volumen de lactosuero (4:20, 6:20 y 8:20 v/v) y el tiempo de secado de 4.5, 5.0 y 5.5 horas. Estas condiciones de preparación se optimizaron empleando la metodología de la superficie de respuesta. La quitina extraída previamente de los exoesqueletos de camarón fue tratada con una solución acuosa de NaOH al 50% en masa, hasta obtener quitosano con un grado de desacetilación de 80.72%. El quitosano obtenido fue disuelto en ácido acético para obtener las distintas soluciones que posteriormente fueron combinadas con lactosuero. Los filmes sintetizados fueron caracterizados por espectroscopia en la región del infrarrojo y se evaluaron los parámetros de espesor, densidad, solubilidad, transparencia, hinchamiento y degradación. La degradación de los filmes quitosano/lactosuero disminuye con el aumento de la concentración de quitosano. El porcentaje de hinchamiento de los filmes se ve afectado por las proporciones de lactosuero. La concentración de lactosuero incide en el aumento del espesor y la densidad de los filmes.