Examinar por departamento (eus.) "Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia"
Now showing items 21-40 of 328
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Atomistic molecular simulations of Aβ-Zn conformational ensembles
(Wiley, 2024-01)The amyloid-forming Aβ peptide is able to interact with metal cations to form very stable complexes that influence fibril formation and contribute to the onset of Alzheimer's disease. Multiple structures of peptides derived ... -
Attaining Toughness and Reduced Electrical Percolation Thresholds in Bio-Based PA410 by Combined Addition of Bio-Based Thermoplastic Elastomers and CNTs
(MDPI, 2021-09-05)Multi-walled carbon nanotubes (CNTs) were added to provide electrical conductivity to bio-based polymer blends with improved toughness (based on commercially available Pebax thermoplastic elastomers and bio-based polyamide ... -
Aufbau principle and singlet-triplet gap in spherical Hooke atoms
(Wiley, 2023-02)Singlet and triplet spin state energies for three-dimensional Hooke atoms, that is, electrons in a quadratic confinement, with even number of electrons (2, 4, 6, 8, 10) is discussed using Full-CI and CASSCF type wavefunctions ... -
Bio-based non-isocyanate poly(hydroxy urethane)s (PHU) derived from vanillin and CO2
(Royal Society of Chemistry, 2023-06)As an alternative to the use of hazardous phosgene-based isocyanates for polyurethane preparation, non-isocyanate poly(hydroxy urethanes) (PHU) based on 5-membered cyclic carbonates have been developed. However, to date, ... -
Bio-Based Phosphate-Containing Polyester for Improvement of Fire Reaction in Wooden Particleboard
(MDPI, 2023-02-22)A new phosphate-containing bio-polyester based on glycerol and citric acid was synthesized and evaluated as fire-retardant (FR) in wooden particleboards. Phosphorus pentoxide was used to first introduce phosphate esters ... -
Biodegradable polyesters with potential applications in 3D printing: structure, morphology and crystallization
(2023-10-09)En este trabajo se han estudiado varios sistemas basados en poliésteres con el objetivo de ampliar su conocimiento y difundir su uso. La familia de poliésteres más investigada en esta tesis es la de los polihidroxialcanoatos ... -
Blends of biodegradable poly(butylene adipate-co-terephthalate) with poly(hydroxi amino ether) for packaging applications: Miscibility, rheology and transport properties
(Elsevier, 2018-08)The improvement of the properties of biodegradable poly(butylene adipate-co-terephthalate) (PBAT) through the addition of poly(hydroxi amino ether) (PHAE) is investigated. Analysis by means of DSC, DMTA, FTIR and TEM ... -
Building machine learning assisted phase diagrams: Three chemically relevant examples
(AIP, 2022-07)In this work, we present a systematic procedure to build phase diagrams for chemically relevant properties by the use of a semi-supervised machine learning technique called uncertainty sampling. Concretely, we focus on ... -
Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH2 radical scavenging reaction as a test case
(Elsevier, 2022-02-01)[EN] The increased bioavailability of aluminum has led to a concern about its toxicity on living systems. Among the most important toxic effects, it has been proven that aluminum increases oxidative stress in biological ... -
Carbon-Doped Co2MnSi Heusler Alloy Microwires with Improved Thermal Characteristics of Magnetization for Multifunctional Applications
(MDPI, 2023-07-29)In the current work, we illustrate the effect of adding a small amount of carbon to very common Co2MnSi Heusler alloy-based glass-coated microwires. A significant change in the magnetic and structure structural properties ... -
Cationically photocured epoxy/polycaprolactone materials processed by solution electrospinning, melt electrowriting and 3D printing: Morphology and shape memory properties
(Elsevier, 2023-08)Epoxy/polycaprolactone (PCL) blends containing cationic photo-initiator were prepared by both solution and melt blending. These materials were processed by solvent casting, solution electrospinning (SE), melt electrowriting ... -
Characterization and Modification of Red Mud and Ferrosilicomanganese Fines and Their Application in the Synthesis of Hybrid Hydrogels
(MDPI, 2022-10-14)In this work, hybrid hydrogels were synthesized with the inclusion of two types of clay materials that are considered industrial waste: red mud (RM) and ferrosilicomanganese fines (FeSiMn). These solid waste materials were ... -
Chemical Upcycling of PET Waste towards Terephthalate Redox Nanoparticles for Energy Storage
(MDPI, 2021-11-03)Over 30 million ton of poly(ethylene terephthalate) (PET) is produced each year and no more than 60% of all PET bottles are reclaimed for recycling due to material property deteriorations during the mechanical recycling ... -
Chiral and Catalytic Effects of Site-Specific Molecular Adsorption
(American Chemical Society, 2023-02)The changes of properties and preferential interactions based on subtle energetic differences are important characteristics of organic molecules, particularly for their functionalities in biological systems. Only slightly ... -
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
(American Chemical Society, 2022-02-08)We present a benchmark study of density functional approximation (DFA) performances in predicting the two-photon-absorption strengths in pi-conjugated molecules containing electron-donating/-accepting moieties. A set of ... -
Class of distorted Landau levels and Hall phases in a two-dimensional electron gas subject to an inhomogeneous magnetic field
(American Physical Society, 2022-10)An analytic closed form solution is derived for the bound states of a two-dimensional electron gas subject to a static, inhomogeneous (1/r in plane decaying) magnetic field, including the Zeeman interaction. The solution ... -
Classical dynamics of gas-surface scattering: fundamentals and applications.
(2021-02-05)This thesis manuscript is devoted to the theoretical study of several reactive andnon-reactive processes that take place at the gas-solid interface. Two classical trajec-tory methods, different and complementary, were used ... -
Coexistence of Superconductivity and Spin-Splitting Fields in Superconductor/Ferromagnetic Insulator Bilayers of Arbitrary Thickness
(American Physical Society, 2021-05-19)Ferromagnetic insulators (FI) can induce a strong exchange field in an adjacent superconductor (S) via the magnetic proximity effect. This manifests as spin splitting of the BCS density of states of the superconductor, an ... -
Coherent coupling between vortex bound states and magnetic impurities in 2D layered superconductors
(Nature, 2021-08-03)Bound states in superconductors are expected to exhibit a spatially resolved electron-hole asymmetry which is the hallmark of their quantum nature. This asymmetry manifests as oscillations at the Fermi wavelength, which ... -
Collective Electronic and Magnetic States in Two-Dimensional Transition Metal Dichalcogenides
(2022-03-25)Single-layer (SL) transition metal dichalcogenide (TMD) materials possess a variety of collective electronic phases such as superconductivity (SC), charge density wave (CDW) order, and magnetic correlations, which exhibit ...