Navegando por Autor "Silva, Augusto Vieira Pontes"
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Item High diversity of microalgae as a tool for the synthesis of different silver nanoparticles : a species-specific green synthesis.(2021) Teixeira, Leonardo César de Moraes; Figueiredo, Rute Cunha; Andrade, Rodrigo Ribeiro de; Silva, Augusto Vieira Pontes; Arantes, Mônica L.; Giani, Alessandra; Figueredo, Cleber CunhaAutotrophic microorganisms can be useful for the green synthesis of nanoparticles (NPs), but there is a lack of knowledge to affirm if the high variety of microorganisms is connected to a potential high diversity of NPs. Here, aqueous extracts of two cyanobacteria (Synechococcus elongatus and Microcystis aeruginosa) and four microalgae (the chlorophytes Coelastrum astroideum and Desmodesmus armatus; and the charophytes Cosmarium punctulatum and Klebsormidium flaccidum) were used for the biosynthesis of silver nanoparticles (AgNPs). The nanoparticle characterization was performed by UV–Visible absorption spectrum, Fourier Transforms Infrared (FT-IR), Transmission Electron Microscopy (TEM) and Energy Dispersive X-Ray Spectroscopy (EDS). This is the first study trying to establish some connection between the taxonomical diversity of microalgae and cyanobacteria and the synthesis of different silver nanoparticles. All algal and cyanobacterial extracts resulted in the synthesis of welldisperse and crystalline AgNPs, with no agglomerate formation. TEM analysis showed spherical AgNPs shape with size range within 1.8–5.4 nm. FTIR analysis demonstrated the presence of hydroxyl groups of peptidoglycan nature acting as stabilizing agents in the surface of the AgNPs. The nanoparticle shape and kind of stabilizing biomolecules were highly similar, but their size was significantly different, which can affect the NP properties. There was no pattern for the AgNPs in terms of the microorganism phyla. Our results showed a very high potential for the use of cyanobacteria and microalgae in the green synthesis of NPs since the variety of AgNPs obtained was species-specific.Item On the experimental and theoretical calculations of rotameric conformations of a new Schiff base derived from amantadine.(2022) Niquini Junior, Fabiano Mafia; Machado, Pedro Henrique; Rodrigues, Júlia Helena Valadares; Silva, Augusto Vieira Pontes; Figueiredo, Rute Cunha; Silveira, Rafael Gomes da; Correa, Rodrigo de SouzaHerein, the condensation of amantadine with the aldehyde piperonal resulted in a new Schiff base (1). This molecule was fully characterized by elementary analysis, infrared (IR), ultraviolet-visible (UV- Vis), 13C, 1H nuclear magnetic resonance (NMR) and high-resolution mass spectroscopy, logP (logarithm of partition coefficient), as well as single-crystal X-ray diffraction (SCXRD). The crystal structure crystal- lizes in the triclinic P1 ̄ space group with only one molecule of the Schiff base in the asymmetric unit, presenting the adamantane ring disordered over two positions. The crystal self-assembly is stabilized by weak interactions, such as analyzed by Hirshfeld surface. Using the DFT calculation, an energy barrier of 9.075 kcal.mol−1 was found between the two complementary conformations observed experimentally to the adamantane group. The computed infrared spectra (in vacuum and solution) are in good agree- ment with the experimental data. The energy of the HOMO orbitals was also calculated, in which en- ergy values range -7.4030–7.6027 eV, while LUMO orbitals are in the range of -0.3610–0.5717 eV, in which the polar solvents promoted greater stabilization in the border orbitals. The chemical potential (μ) from 3.467 to 3.520 eV indicate that the structure is stable. The magnitude of the chemical hardness (η) [6.934–7.041 eV] suggests the resistance to deformation of the electronic cloud over small electrostatic disturbances, showing that the system is not very polarizable. This result can be useful to further studies to investigate the coordination ability of compound 1 with hard metal ions.