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Now showing items 121-130 of 324
Theoretical Characterization of New Frustrated Lewis Pairs for Responsive Materials
(MDPI, 2021-05-14)
In recent years, responsive materials including dynamic bonds have been widely acclaimed due to their expectation to pilot advanced materials. Within these materials, synthetic polymers have shown to be good candidates. ...
Role of dispersion interactions in Endohedral TM@(ZnS)12 structures
(American Chemical Society, 2021-06-17)
[EN] II−VI semiconducting materials are gaining attention due to
their optoelectronic properties. Moreover, the addition of transition metals,
TMs, might give them magnetic properties. The location and distance of the
TM ...
Theoretical study of dichalcogenides as building blocks for efficient self-healing materials
(2021-07-21)
In this thesis, the self-healing properties of a great variety of dichalcogenide-based materials including homonuclear S-S and Se-Se, and heteronuclear S-Se bonds, have been studied. In order to do so, both ab initio ...
Slow magnetic relaxation in Fe(ii) m-terphenyl complexes
(Royal Society of Chemistry, 2022)
Two-coordinate transition metal complexes are exciting candidates for single-molecule magnets (SMMs) because their highly axial coordination environments lead to sizeable magnetic anisotropy. We report a series of five ...
Steric Hindrance of NH3 Diffusion on Pt(111) by Co-Adsorbed O-Atoms
(American Chemical Society, 2022)
A detailed velocity-resolved kinetics study of NH3 thermal desorption rates from p(2 x 2) O/Pt(111) is presented. We find a large reduction in the NH3 desorption rate due to adsorption of O-atoms on Pt(111). A physical ...
Neat Protein Single-Chain Nanoparticles from Partially Denatured BSA
(American Chemical Society, 2022)
The main challenge for the preparation of protein single-chain nanoparticles (SCNPs) is the natural complexity of these macromolecules. Herein, we report the suitable conditions to produce "neat" bovine serum albumin (BSA) ...
Correlation between biological responses in vitro and in vivo to Ca-doped sol-gel coatings assessed using proteomic analysis
(Elsevier, 2022-12)
Poor correlation between the results of in vitro testing and the subsequent in vivo experiments hinders the design of biomaterials. Thus, new characterisation methods are needed. This study used proteomic and histological ...
Surface Engineering of Biomimetic Antibacterial and Biocompatible Hybrid Materials Through Molecular Layer Deposition.
(2022-12-15)
First part of this thesis highlights a new method for obtaining ultrathin conformal films composed of chitin and chitin-based organic-inorganic hybrid biomaterials from the gas phase by molecular layer deposition (MLD). ...
Computer simulations of intrinsically disordered proteins in the hypoxic response
(2022-12-19)
Las proteínas son biopolímeros esenciales en todos los organismos vivos encargadas de un gran número de funciones. Tradicionalmente, el paradigma estructura-función dictaba que todas las proteínas debían encontrarse plegadas ...
Development and characterisation of strontium-doped sol-gel coatings to optimise the initial bone regeneration processes
(Elsevier, 2022-12)
Strontium plays an important role in bone regeneration; it promotes the differentiation and maturation of os-teoblasts and inhibits the activity of osteoclasts. Our principal objective in this study was to formulate new ...