A5088975771- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Graphene research and applications
- Advancements in Battery Materials
- Metal complexes synthesis and properties
- Crystal structures of chemical compounds
- Magnetic and transport properties of perovskites and related materials
- Conducting polymers and applications
- TiO2 Photocatalysis and Solar Cells
- Advanced Battery Materials and Technologies
- Physics of Superconductivity and Magnetism
- Advanced Condensed Matter Physics
- Magnetism in coordination complexes
- Metal-Organic Frameworks: Synthesis and Applications
- Organic Electronics and Photovoltaics
- Advanced Photocatalysis Techniques
- Quantum Dots Synthesis And Properties
- Radiopharmaceutical Chemistry and Applications
- Lanthanide and Transition Metal Complexes
- Carbon Nanotubes in Composites
- Boron and Carbon Nanomaterials Research
- Organometallic Compounds Synthesis and Characterization
- Multiferroics and related materials
- Radioactive element chemistry and processing
Universidad de la República
2016-2025
Universidad de Montevideo
1993-2017
Rede de Química e Tecnologia
2017
Universidad La República
2017
Centro Uruguayo de Imagenología Molecular
1997-2014
Instituto de Botânica
2001-2006
University of Calabria
2004
Universitat de València
2004
Universidade Federal de São Carlos
2001
Universidad Nacional de La Plata
1999
Abstract Sulfur doping of single‐walled carbon nanotubes and graphene is possible from a thermodynamic standpoint, according to DFT calculations. In the case graphene, doped sheet can be small‐band‐gap semiconductor, as revealed by plot band structure (see picture), or it have better metallic properties than pristine sheet, depending on level S doping. magnified image Herein, we investigate sulfur substitutional defects in (SWCNTs) using first‐principles The estimated formation energies for...
Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons in presence stress by applying density functional theory within GGA-PBE (generalized gradient approximation-Perdew-Burke-Ernzerhof) approximation. The uniaxial is applied along periodic direction, allowing a unitary deformation range ± 0.02%. show linear response that while nonlinear dependence found for higher strain. most relevant results indicate Young's modulus considerable than...
We present an ab initio—DFT/GGA—study on the structural and electronic distortions of modified graphene by creation vacancies, inclusion boron atoms, coexistence both, means total energy band structure calculations. In case atoms vacancy, presents spin polarization only when B locate far from vacancy. Thus, a atom fills single divacancies, it suppresses charge density. particular, fill divacancy, new type rearrangement occurs, where stable BC4 unit is formed inducing important out-of-plane...
In this paper we report on the magnetic properties of pure bulk ferromagnetic graphite, obtained by a chemical route previously described. This graphite has been vapor reaction consisting controlled etching structure. By force microscopy have verified that its are related to topographic defects introduced in pristine material. Also, through magnetization measurements as function temperature and applied field. At low temperatures $(2\phantom{\rule{0.3em}{0ex}}\mathrm{K})$ saturation reaches...
Structural, electronic, vibrational and thermodynamic properties have been tested when Hubbard parameter U is implemented in density functional theory calculations for TiO2 polymorphs: anatase, rutile, TiO2–B hydrogen titanate (H2Ti3O7) bulk. Optimum values were found each system, balancing geometric changes electronic properties, namely, = 4 eV anatase TiO2–B, 5 rutile titanate. Although the addition of this improves prediction with no significant structural changes, we that it would not be...
Eleven sesquiterpenes (1−11) and one long chain aldehyde (12) have been isolated from the dichloromethane extract of red alga Laurencia scoparia. Four them are new natural products. Scopariol (1) is a product with an unusual rearranged chamigrane-type structure. The other three β-chamigrenes: isorigidol (2), (+)-3-(Z)-bromomethylidene-10β-bromo-β-chamigrene (3), (−)-3-(E)-bromomethylidene-10β-bromo-β-chamigrene (4). in vitro activity compounds 1−12 against parasitant stage Nippostrongylus...
Chondriamide C (3), a new bis(indole) amide, was isolated from the red alga Chondria atropurpurea, and its structure established spectroscopic data chemical transformations. A natural product, 3-indoleacrylamide (4), previously described chondriamides B (1, 2) 3-indoleacrylic acid (5) were also isolated. The anthelmintic activities of compounds 1, 3, 4, 6 (the O,N1,N1'-trimethyl derivative compound against Nippostrongylus brasiliensis in vitro evaluated.
We present an ab initio density functional theory study of the magnetic moments that arise in graphite by creating single carbon vacancies a three-dimensional (3D) network using full potential, all electron, spin polarized electronic structure calculations. In previous reports, appearance was explained two-dimensional graphene sheet just through existence itself [Carbon-Based Magnetism, edited F. Palacio and T. Makarova (Elsevier, Amsterdam, 2005); D. C. Mattis, Phys. Rev. B 71, 144424...
In this work, we present the synthesis of nanoscale heterostructures sodium titanate nanotubes Na2Ti2O5.H2O (NaNT) decorated with N- and S- co-doped graphene quantum dots (NS-GQD) for sensitized solar cells (QDSSC). The study was mainly focused on structural, microstructural, electrical optical characterization these by means X ray diffraction, transmission electron microscopy, atomic force Raman, UV–vis impedance spectroscopies. Our yielded a significant enhancement in electric conductivity...
Background/Objectives: The focus of this study was to prepare and characterize docetaxel (DCX)-loaded lipid/polymer hybrid nanoparticles (LPHNps) functionalized with the monoclonal antibody (mAb) Chi-Tn for a potential active targeting approach in lung cancer treatment. Methods: We synthesized DOTAP-PLGA loaded DCX them mAb through biotin–avidin approach. physicochemical characterization involved dynamic light scattering, transmission electron microscopy, Raman spectroscopy, atomic force...
Ab initio calculations using density functional theory (DFT) have been performed in order to study defects graphene. The structural distortions that can be observed when multi-atom vacancies are created graphene and the net magnetic moment eventually appear characterized for a variety of vacancy sizes shapes. We conclude configuration arising construction multivacancies unambiguously indicate whether response defected system is expected. Making use shape complementary figure—i.e. geometric...
Abstract Here, we report large magnetoresistance and magnetocapacitance response of undoped TiO 2 quantum dots weighting the contribution both grain boundaries by means impedance spectroscopy. We also performed a complete characterization (~5 nm) prepared sol-gel via water vapor diffusion method, using X-ray diffraction, small angle scattering, transmission electron microscopy Raman In addition, showed theoretical study on electronic properties surface subsurface oxygen titanium vacancies to...
Three novel halogenated beta-bisabolene sesquiterpenoids (1-3), together with two know triquinane alcohol sesquiterpenes (6 and 7), were isolated from the red alga Laurencia scoparia their structures elucidated by spectroscopic methods. Single-crystal X-ray crystallography allowed us to confirm structure of 1 as well determine absolute configuration all stereocenters. To best our knowledge, isolation beta-bisabolenes genus has no precedent in literature. Compound showed weak vitro...
In the search for a pharmacological answer to treat Chagas disease, eight metal complexes with two bioactive bisphosphonates, alendronate (Ale) and pamidronate (Pam), were described. Complexes of formula [M2II(Ale)4(H2O)2]·2H2O, M = Cu, Co, Mn, Ni, ([CuPam]·H2O)n as well [MII(Pam)2(H2O)2]·3H2O, Mn synthesized fully characterized. Crystal structure [Cu2II(Ale)4(H2O)2]·2H2O, [CoII(Pam)2(H2O)2] [NiII(Pam)2(H2O)2] solved by X-ray single crystal diffraction methods structures...
Vitamin A and its esters are commonly found in topical applications because of their advantageous properties, however, have the drawback that highly sensitive to ultraviolet radiation.The aim this work was develop characterize a novel formulation solid lipid nanoparticles suitable for order protect vitamin from degradation.Vitamin A-loaded were successfully prepared by hot homogenization employing Gelucire 44/14 ® cetyl alcohol as carrier materials, showing an entrapment efficiency more than...