Materials Literature
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This paper presents a 2-dimensional analytical model for external rotor brushless machines with surface mounted magnets. The subdomain technique is used to divide the problem into magnets, airgap, slot-openings, and slots regions. The magnetic flux density distributions are initially calculated, and then the important…
This study details the isotherm adsorption properties of cross-linked polymers containing β-cyclodextrin (β-CD), hereafter referred to as macromolecular imprinted materials (MIMs). The isotherm sorption parameters of the MIMs are reported with perfluorooctanoic acid (PFOA), octanoic acid (OA), and perfluorooctanesulfo…
Core–shell few-layer graphene-coated magnetic nanoparticles (GCMNPs) were synthesized by catalytic chemical vapor deposition of methane at atmospheric pressure. The GCMNPs, of cobalt and iron dispersed on an alumina support, catalyze themselves the decomposition of methane, which is the source of carbon. The pretreatm…
Protein structure and function are highly dependent on the environmental pH. However, the temporal or spatial resolution of experimental approaches hampers direct observation of pH-induced conformational changes at the atomic level. Molecular dynamics (MD) simulation strategies (e.g. constant pH MD) have been develope…
The application of silica nanoparticles (NPs) in the biomedical field experienced a great development. The driving forces for these and future developments are the possibility to design NPs with homogeneous size and structure amenable to specific grafting. Moreover, it is possible to tune the characteristics of the NP…
We perform a large-scale molecular dynamics simulation of nanoindentation on the (100), (110), and (111) oriented silicon surface to investigate the orientation-dependent mechanical behavior and phase transformation of monocrystalline silicon. The results show both the remarkable anisotropic mechanical behavior and st…
Inhibitors of mitochondrial branched chain aminotransferase (BCATm), identified using fragment screening, are described. This was carried out using a combination of STD-NMR, thermal melt (Tm), and biochemical assays to identify compounds that bound to BCATm, which were subsequently progressed to X-ray crystallography,…
Abstract The Hall scattering factor (γH) in p-type 4H-SiC with various aluminum doping concentrations of 5.8 × 1014–7.1 × 1018 cm−3 was investigated from 300 to 900 K. γH was determined by comparing the Hall coefficient with the theoretical carrier concentration derived from acceptor and donor concentrations obtained…
A numerical analysis is presented of the Rayleigh–Taylor instability (RTI) in the presence of an external electric field, with an emphasis on nonlinear phenomena associated with the evolution of complex interfacial morphology. The Poisson equation for the electric field and the Navier–Stokes equation for fluid flow fi…
We report on the oxidation potential of partially fluorinated (C 42 F 14 H 14, F 14 -RUB) and perfluorinated rubrene (C 42 F 28, PF-RUB) studied by cyclic voltammetry (CV) in solution as well as by spectroscopic ellipsometry and near edge X-ray absorption fine structure (NEXAFS) spectroscopy in thin films in combinati…
In order to efficiently overcome high free energy barriers embedded in a complex energy landscape and calculate overall thermodynamics properties using molecular dynamics simulations, we developed and implemented a sampling strategy by combining the metadynamics with (selective) integrated tempering sampling (ITS/SITS…
Fieldlike spin-orbit torque in FeMn/Pt bilayers with ultrathin polycrystalline FeMn has been characterized through planar Hall effect measurements. A large effective field of $2.05\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}5}$ to $2.44\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}5}\phantom{\rule{0.…
Ramie fiber represents almost 25–28% gum in its decorticated form. Unlike other common lignocellulosic bast fibers, e.g., jute, kenaf, etc., ramie is difficult to ret naturally. However, effective removal of gum from ramie determines its appropriate end-uses. In the present study, an eco-friendly degumming technology…
An eco-friendly green and one-pot synthesis of highly monodispersed iron (Fe) nanoparticles (NPs) by using a natural biopolymer, gum kondagogu (GK) as reducing and capping agent is proposed. The NPs synthesised were characterised by ultra-violet-visible spectroscopy, transmission electron microscopy, scanning electron…
The majority of nanoparticles designed for cellular delivery of drugs and imaging agents enter the cell via endocytotic pathways leading to their entrapment in endosomes that present a robust barrier to further trafficking of the nanoparticles within the cells. A few materials, such as the cell penetrating peptides (C…
Donor-acceptor polymers with narrow bandgaps are promising materials for bulk heterojunction solar cells and high-mobility field-effect transistors. They also emit light in the near-infrared. Here we investigate and compare the photoluminescence and electroluminescence properties of different narrow bandgap (<1.5 eV)…
The creep rupture life of U-type notched specimens and smooth specimens has been calculated based on the ductility exhaustion damage model using stress-dependent creep ductility. Effects of creep ductility and notch constraint on creep fracture behaviour in notched bar specimens have been investigated. The results sho…
Magnetic nanostructures (MNS) have emerged as promising functional probes for simultaneous diagnostics and therapeutics (theranostic) applications due to their ability to enhance localized contrast in magnetic resonance imaging (MRI) and heat under external radio frequency (RF) field, respectively. We show that the "t…
This study aims to investigate how intercropping of oat (Avena sativa L.) with white lupin (Lupinus albus L.) affects the mobile fractions of trace metals (Fe, Mn, Pb, Cd, Th, U, Sc, La, Nd, Ge) in soil solution. Oat and white lupin were cultivated in monocultures and mixed cultures with differing oat/white lupin rati…
A visible light and pH responsive anticancer drug delivery system based on polymer-coated mesoporous silica nanoparticles (MSNs) has been developed. Perylene-functionalized poly(dimethylaminoethyl methacrylates) sensitive to visible light and pH are electrostatically attached on the surface of MSNs to seal the nanopor…