Materials Literature
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A thorough analysis of the melting behavior of poly(ethylene terephthalate) (PET) is detailed in this contribution. Isothermal crystallization at 190 °C followed by cooling to room temperature provides a three-phase structure composed of a mobile amorphous, a crystalline, and a rigid amorphous fraction. A close connec…
We use first-principles density functional theory based calculations to determine the stability and properties of silicene, a graphene-like structure made from silicon, and explore the possibilities of modifying its structure and properties through incorporation of transition metal ions (M: Ti, Nb, Ta, Cr, Mo and W) i…
We perform a first-principles calculation to investigate the effects of He in an Fe Σ5(310)/[001] grain boundary (GB) with the SIESTA code, for which the reliability of the pseudopotential and the basis set are systematically tested. We calculate the formation and segregation energies for different substitutional and…
A method for performing molecular dynamics simulation in the grand canonical ensemble is developed. The molecular dynamics, with coupling to an external bath, simulation method of [Berendsen et al., J. Chem. Phys. 81, 3684 (1984)] is extended for this purpose. Here the physical system of interest consists of real indi…
As stagnant water contacts copper pipe and lead solder (simulated soldered joints), a corrosion cell is formed between the metals in solder (Pb, Sn) and the copper. If the resulting galvanic current exceeds about 2 μA/cm(2), a highly corrosive microenvironment can form at the solder surface, with pH < 2.5 and chloride…
A series of doxorubicin-loaded polymer-caged nanobins (PCN(DXR)) were evaluated in vivo in a murine MDA-MB-231 xenograft model of triple-negative breast cancer. The cross-linked polymer cage in PCN(DXR) offers protection for the drug payload while serving as a pH-responsive trigger that enhances drug release in the ac…
We have previously shown that the hyperthermophilic archaeon, Sulfolobus solfataricus, catabolizes d-glucose and d-galactose to pyruvate and glyceraldehyde via a non-phosphorylative version of the Entner-Doudoroff pathway. At each step, one enzyme is active with both C6 epimers, leading to a metabolically promiscuous…
BACKGROUND: Diatoms represent the predominant group of eukaryotic phytoplankton in the oceans and are responsible for around 20% of global photosynthesis. Two whole genome sequences are now available. Notwithstanding, our knowledge of diatom biology remains limited because only around half of their genes can be ascrib…
We exploited a precursor-template route to chemically synthesize NaNbO3 nanobelt arrays. Na7(H3O)Nb6O19·14H2O nanobelt precursor was firstly prepared via a hydrothermal synthetic route using Nb foil. The aspect ratio of the precursor is controllable facilely depending on the concentration of NaOH aqueous solution. The…
In this paper, we report a simple and inexpensive method for fabricating stable superhydrophobic films from flexible carbon nanotube (CNT)/polymer coatings. The CNT/polymer coatings, which do not contain any fluorinated compounds, maintain their superhydrophobicity after bending and pressing and display excellent envi…
Fullerene′s topology: Inorganic–organic hybrid cage clusters containing 36 and 60 uranyl peroxide polyhedra and 6 or 30 oxalate groups (see representation of a {U60} cluster) self-assemble in aqueous solution under ambient conditions. These clusters, which are derivatives of fullerene topologies, were crystallized for…
CdTe quantum dots (QDs) capped with mercaptoacetic acid were applied to the hydrogen peroxide-sodium hydrogen carbonate chemiluminescence (CL) system. The CL emission intensity was significantly enhanced by different sizes of CdTe QDs. Peroxymonocarbonate (HCO(4)(-)) was formed in the reaction of hydrogen peroxide and…
The extinction spectra of Au nanorods electrochemically synthesized using anodic aluminum oxide templates are reported. Homogeneous suspensions of nanorods with average diameters of 35, 55, 80, and 100 nm and varying lengths were synthesized, and their resultant surface plasmon resonances were probed by experimental a…
Despite the many advances in tissue engineering approaches, scientists still face significant challenges in trying to repair and replace soft tissues. Nature-inspired routes involving the creation of polymer-based systems of natural origins constitute an interesting alternative route to produce novel materials. The in…
We report a general approach to light-emitting polymer nanofibers (PNFs) based on waveguiding excitation. By waveguiding excitation light along the PNFs, we demonstrated that the interaction of light with PNFs is enhanced over 3 orders of magnitude compared with the currently used irradiating excitation. Intriguing ad…
Two well-defined amphiphilic asymmetric macromolecular brushes, one bearing hydrophilic poly(ethylene glycol) (PEO) and hydrophobic polystyrene (PS) side chains on poly(glycidyl methacrylate) (PGMA) backbone and the other bearing pendant PEO and poly(styrene-block- N -isopropylacrylamide) (PS- b -PNIPAM) block copolym…
We present a theory of graphene quantum rings designed to produce degenerate shells of single-particle states close to the Fermi level. We show that populating these shells with carriers using a gate leads to correlated ground states with finite total electronic spin. Using a combination of tight-binding and configura…
A detailed and systematic density-functional theory (DFT) study of a series of early transition-metal carbides (TMCs) in the NaCl structure is presented. The focus is on the trends in the electronic structure and nature of bonding, which are essential for the understanding of the reactivity of TMCs. The employed appro…
We demonstrate a surface energy modification method exploiting graphene film. Spin-cast, atomic layer thick, large-area reduced graphene film successfully played the role of surface energy modifier for arbitrary surfaces. The degree of reduction enabled the tuning of the surface energy. Sufficiently reduced graphene s…
A matter of presentation: The manner in which polyvalent ligands are presented to a cell—homogeneously or in spatially defined groupings on a nanoparticle surface—may play an important role in cellular uptake. This aspect is investigated for the first time using a linear dendritic polymer construct to pattern the surf…