Search results for " Functional"
showing 10 items of 1811 documents
Functionalized poly(butylene succinate) by nitroxide radical coupling
2014
In recent years there has been a growing interest in developing sustainable alternatives to oil-based plastics. In particular, biodegradable aliphatic polyesters, such as poly(lactic acid) (PLA) and poly(butylene succinate) (PBS), are becoming increasingly important due to their valuable properties including thermoplastic processability and thermo-mechanical properties. Nonetheless, these materials present several drawbacks, such as the lack of reactive functionalities that are limiting their applications, versatility and successful use as commodity plastics. In this work it was investigated for the first time a new method of preparation of functionalized PBS by a post-polymerization approa…
Effects of Functional Strength Training on Functional Movement and Balance in Middle-Aged Adults
2021
Functional movement deficiencies cause falls and injuries in adults. Functional strength training (FST) is emerging as a new training method for athletes, middle-aged and older adults, to improve functional movement: The present study was conducted in order to investigate the effects of FST on balance and functional movement in healthy and independent middle-aged adults. The sample for this study consisted of 46 physically active individuals (24 female and 22 male). A total of 46 subjects were divided based on randomly into the functional strength training (FST) group (n = 26) aged: 51.55 ± 3.73 years; height: 168.69 ± 8.8 cm; body mass: 75.88 ± 12.18; and traditional s…
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
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 …
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…
Influence of a Cu–zirconia interface structure on CO2 adsorption and activation
2021
CO2 adsorption and activation on a catalyst are key elementary steps for CO2 conversion to various valuable products. In the present computational study, we screened different Cu–ZrO2 interface structures and analyzed the influence of the interface structure on CO2 binding strength using density functional theory calculations. Our results demonstrate that a Cu nanorod favors one position on both tetragonal and monoclinic ZrO2 surfaces, where the bottom Cu atoms are placed close to the lattice oxygens. In agreement with previous calculations, we find that CO2 prefers a bent bidentate configuration at the Cu–ZrO2 interface and the molecule is clearly activated being negatively charged. Strain…