CO adsorption on MgO thin-films: formation and interaction of surface charged defects.

Two-dimensional (2D) materials formed by thin-films of metal oxides that grow on metal supports are commonly used in heterogeneous catalysis and multilayer electronic devices. Despite extensive research on these systems, the effects of charged defects at supported oxides on surface processes are still not clear. In this work, we perform spin-polarized density-functional theory (DFT) calculations to investigate formation and interaction of charged magnesium and oxygen vacancies, and Al dopants on MgO(001)/Ag(001) surface. The results show a sizable interface compressive effect that decreases the metal work function as electrons are added on the MgO surface with a magnesium vacancy. This surface displays a larger formation energy in a water environment (O-rich condition) even with additional Al-doping. Under these conditions, we found that a polar molecule such as CO is more strongly adsorbed on the low-coordination oxygen sites due to a larger contribution of the channeled electronic transport with the silver interface regardless of the surface charge. Therefore, these findings elucidate how surface intrinsic vacancies can influence or contribute to charge transfer, which allows one to explore more specific reactions at different surface topologies for more efficient catalysts for CO2 conversion.

Production and physicochemical properties of fungal chitosans with efficacy to inhibit mycelial growth activity of pathogenic fungi.

In order to enable the applicability of chitosan as an antifungal, soil fungi were isolated and identified, then used in its production. Fungal chitosan has several advantages, including lower toxicity, low cost, and high degree of deacetylation. These characteristics are essential for therapeutic applications. The results indicate high viability of the isolated strains to produce chitosan, obtaining a maximum yield of 40.59 mg chitosan/g of dry biomass. M. pseudolusitanicus L. was reported for the first time for production by chitosan. The chitosan signals were observed by ATR-FTIR and 13C SSNMR. Chitosans showed high degrees of deacetylation (DD), ranging from 68.8% to 88.5%. In comparison with the crustacean chitosan, Rhizopus stolonifer and Cunninghamella elegans presented lower viscometric molar masses (26.23 and 22.18 kDa). At the same time, the molar mass of chitosan Mucor pseudolusitanicus L. showed a value coincident with that assumed as low molar mass (50,000-150,000 g mol-1). Concerning the in vitro antifungal potential against the dermatophyte fungus Microsporum canis (CFP 00098), the fungal chitosans showed satisfactory antifungal activities, inhibiting mycelial growth by up to 62.81%. This study points to the potential of chitosans extracted from fungal cell walls for applications in the inhibition of the growth of (Microsporum canis) human pathogenic dermatophyte.

Encapsulation of essential oils using cinnamic acid grafted chitosan nanogel: Preparation, characterization and antifungal activity.

Chemical modifications in the chitosan structure may result in obtaining a new material with improved chemical properties, such as an ability to encapsulate lipophilic compounds. This study aimed to synthesize cinnamic acid grafted chitosan nanogel to encapsulate the essential oils of Syzygium aromaticum and Cinnamomum ssp., in order to develop a material to be applied in the control of dermatophytosis caused by the fungus Microsporum canis. The cinnamic acid graft in chitosan was verified by the Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR), Solid State Nuclear Magnetic Resonance of the 13C Nucleus (13C SSNMR) and Thermal analysis coupled to mass spectrometry (TG-MS) techniques. The nanogel obtained showed affinity for the essential oils of S. aromaticum and Cinnamomum, with encapsulation efficiencies equal to 74% and 89%, respectively. When in an aqueous medium the nanogel with the encapsulated essential oils was able to form stable nanoparticles with average sizes of 176.0 ± 54.3 nm and 263.0 ± 81.4 nm. The cinnamic acid grafted chitosan nanogel showed antifungal activity in vitro against M. canis, inhibiting up to 53.96% of its mycelial growth. Complete inhibition of mycelial growth was achieved by the nanogel with encapsulated essential oils. The results found in this work demonstrated the development of a material with potential application in the control of dermatophytosis caused by the fungus M. canis.