Search results for "functional"

Empirically Grounded Clinical Interventions: Cognitive Versus Behaviour Therapy in the Individual Treatment of Obsessive-Compulsive Disorder: Changes…

2008

Clinical significance analyses of controlled studies comparing Exposure and Response Prevention (ERP) and Cognitive Therapy (CT) in the treatment of Obsessive-Compulsive Disorder (OCD) are scarce. The objective of this study is to compare the clinical efficacy of ERP and CT for OCD patients, and the usefulness of each in changing dysfunctional beliefs and thought control strategies at post-treatment and at a one-year follow-up. The two treatments were delivered on the basis of a routine clinical practice in a public-mental health service. Thirty-three OCD patients were randomly assigned to ERP or CT, and 29 completed the treatments (13 in ERP and 16 in CT). The ERP applied was in vivo, grad…

Pullout Force and Inlet Oscillation in Telescopic Carbon Nanotubes: A Quantum Study

2021

The noncovalent interaction energy as a function of the core extension in double-walled carbon nanotubes (DWCNT) was accurately calculated in the frame of density functional theory, considering dis...

Polyamide 6/Graphene Oxide Nanohybrids

2013

An Overview of Functionalized Graphene Nanomaterials for Advanced Applications

2021

Interest in the development of graphene-based materials for advanced applications is growing, because of the unique features of such nanomaterials and, above all, of their outstanding versatility, which enables several functionalization pathways that lead to materials with extremely tunable properties and architectures. This review is focused on the careful examination of relationships between synthetic approaches currently used to derivatize graphene, main properties achieved, and target applications proposed. Use of functionalized graphene nanomaterials in six engineering areas (materials with enhanced mechanical and thermal performance, energy, sensors, biomedical, water treatment, and c…

Growth of two-dimensional Au patches in graphene pores : a density-functional study

2016

Grafeenin löytämisen myötä kaksiulotteisten (2D) materiaalien tutkimus on edennyt huomattavasti viimeisen vuosikymmenen aikana. Myös 2D-metalleja on tutkittu, ja esimerkiksi atominpaksuinen rautakerros on onnistuttu kokeellisesti luomaan grafeenin reunalle. Metalleista erityisesti kullan on havaittu käyttäytyvän hyvin eri tavalla nanomittakaavassa. Tässä Pro gradu -tutkielmassa on simuloitu kaksiulotteisten kultasaarekkeiden kasvua grafeenin reunalle tiheysfunktionaaliteoriaa (DFT) käyttämällä. Tavoitteena oli selvittää, kuinka kulta-atomit kulkeutuvat grafeenin pintaa pitkin lopulta reunalle, ja asettuvatko kulta-atomit kaksiulotteisesti samaan tasoon grafeenin kanssa. Tulosten perusteella…

Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters

2019

<p>Water dissociation is an important reaction involved in many industrial processes and a good model reaction for probing the activity of catalytic sites. In this computational study, the dissociation of water at interfacial sites of globally optimized ZrO2 sup- ported Pt and Rh clusters is investigated under the framework of density functional theory. Our findings demonstrate that the perimeter sites of these small clusters can activate water, but the dissociation behavior varies considerably between sites. It is shown that the studied clusters break scaling relationships for water dissociation, suggesting these catalysts may achieve activities beyond the maximum imposed by such rel…

Covalently modified halloysite clay nanotubes: synthesis, properties, biological and medical applications

2017

Halloysite (HNT) is a promising natural nanosized tubular clay mineral that has many important uses in different industrial fields. It is naturally occurring, biocompatible, and available in thousands of tons at low cost. As a consequence of a hollow cavity, HNT is mainly used as nanocontainer for the controlled release of several chemicals. Chemical modification of both surfaces (inner lumen and outer surface) is a strategy to tune the nanotube's properties. Specifically, chemical modification of HNT surfaces generates a nanoarchitecture with targeted affinity through outer surface functionalization and drug transport ability from functionalization of the nanotube lumen. The primary focus …

Experimental studies on carbon nanotubes and graphene functionalized via physical adsorption with cellulose and avidin

2018

In this Thesis I have experimentally studied structural, electronic, and optical properties of hybrids of nanocarbon materials, carbon nanotubes (CNT) and graphene, and certain biomacromolecules. The latter are especially xylan, a type of hemicellulose, and avidin, an important protein. Complexes of CNT with hemicellulose are attractive because the hybrid material is soluble in water. The conductive transport properties of thin films of CNT /hemicellulose have been systematically studied with different experimental tools. These are low temperature DC conduction measurements, Kelvin probe microscopy, and optical conductivity measurements at terahertz frequencies. The results clearly indicate …

Dysfunctional High-Density Lipoproteins Are Associated With a Greater Incidence of Acute Coronary Syndrome in a Population at High Cardiovascular Risk

2020

Background: Studies have failed to establish a clear link between high-density lipoprotein (HDL) cholesterol and cardiovascular disease, leading to the hypothesis that the atheroprotective role of HDL lies in its biological activity rather than in its cholesterol content. However, to date, the association between HDL functional characteristics and acute coronary syndrome has not been investigated comprehensively. Methods: We conducted a case-control study nested within the PREDIMED (Prevención con Dieta Mediterránea) cohort, originally a randomized trial in which participants followed a Mediterranean or low-fat diet. Incident acute coronary syndrome cases (N=167) were individually matched …

A Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films

2018

Oxide films play a significant role in a wide range of fields from catalysis to solar cell materials. CaO films are promising sorbents for many environmentally harmful molecules. Here, we report a systematic investigation of adsorption of CO2, SO2, and H2CO on bulk and Mo-supported CaO(100) films using density functional theory. Significant effects on adsorption energy, charge transfer to the molecules, and degree of the C–O bond activation were demonstrated on Mo-supported CaO films by changing the film thickness, composition, and the strength and direction of an applied external electric field. These findings are relevant for interpreting results from scanning tunneling microscopy of smal…