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Study of biological properties of gold nanoparticles: Low toxicity, no proliferative activity, no ability to induce cell gene expression and no antiviral activity
(Elsevier, 2023-07-26)
Gold nanoparticles (AuNPs) are a fundamental building block of many applications across nanotechnology as they have excellent biosafety which make them promising for a broad range of biomedical applications. Here we explore ...
A three-dimensional adamantane-like nanoscopic cage built from four iodide-bridged triangular Mo3S7 cluster units
(Royal Society of Chemistry, 2009)
Chemical oxidation of a Mo3S7 cluster featuring catecholate
ligands, namely [Mo3S7(Cl4cat)3]2 (Cl4cat = tetrachlorocatecholate),
allows the isolation of a unique nanoscopic
molecular cage made of four iodide-bridged ...
Aharonov-Bohm oscillations and electron gas transitions in hexagonal core-shell nanowires with an axial magnetic field
(American Physical Society, 2015)
We use spin-density-functional theory within an envelope function approach to calculate electronic states in a GaAs/InAs core-shell nanowire pierced by an axial magnetic field. Our fully three-dimensional quantum modeling ...
Drug use by music festival attendees: A novel triangulation approach using self-reported data and test results of oral fluid and pooled urine samples
(Taylor & Francis, 2019)
Background: Self-reported data are commonly used when investigating illicit substance use.
However, self-reports have well-known limitations such as limited recall and socially
desirable responding. Mislabeling or ...
Monitoring a large number of pesticides and transformation products in water samples from Spain and Italy
(Elsevier, 2017-07)
Assessing the presence of pesticides in environmental waters is particularly challenging because of the huge number of substances used which may end up in the environment. Furthermore, the occurrence of pesticide transformation ...
Electrons, holes, and excitons in GaAs polytype quantum dots
(American Institute of Physics, 2016)
Single and multi-band k⋅p Hamiltonians for GaAs crystal phase quantum dots are used to assess ongoing experimental activity on the role of such factors as quantum confinement, spontaneous polarization,valence band mixing, ...
Unraveling the Reaction Mechanism of Enzymatic C5-Cytosine Methylation of DNA. A Combined Molecular Dynamics and QM/MM Study of Wild Type and Gln119 Variant
(American Chemical Society, 2016)
M.HhaI is a DNA methyltransferase from Haemophilus hemolyticus that catalyzes the transfer of a methyl group from S-adenosyl-l-methionine (SAM) to the C5 position of a cytosine. This enzyme is a paradigmatic model for C5 ...
A joint experimental and theoretical study on the electronic structure and photoluminescence properties of Al2(WO4)3 powders
(Elsevier, 2015-02)
In this paper, aluminum tungstate Al2(WO4)3 powders were synthesized using the co-precipitation method at room temperature and then submitted to heat treatment processes at different temperatures (100, 200, 400, 800, and ...
Acetone gas sensor based on α-Ag2WO4 nanorods obtained via a microwaveassisted hydrothermal route
(Elsevier, 2016)
This manuscript addresses the synthesis of one-dimensional (1D) α-Ag2WO4 nanorod-like structures via a microwave-assisted hydrothermal method to be used as an acetone gas sensor. The nanorods showed excellent gas-sensing ...
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2
(Springer Nature, 2024-01-18)
The coronavirus disease 2019 (COVID-19) pandemic continues to represent a global public
health issue. The viral main protease (Mpro) represents one of the most attractive targets for
the development of antiviral drugs. ...