Materials Literature
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The formation of true single-molecule complexes between organic ligands and nanoparticles is challenging and requires careful design of molecules with size, shape, and chemical properties tailored for the specific nanoparticle. Here we use computer simulations to describe the atomic-scale structure, dynamics, and ener…
Abstract Based on the experimental observations, a cyclic nonlinear viscoelastic constitutive model was proposed to describe the uniaxial time‐dependent ratcheting of polyetherimide (PEI) polymer under tension–compression and tension–tension cyclic loading. The model was constructed by extending the nonlinear viscoela…
Future materials are envisioned to include bio-assembled, hybrid, three-dimensional nanosystems that incorporate functional proteins. Diatoms are amenable to genetic modification for localization of recombinant proteins in the biosilica cell wall. However, the full range of protein functionalities that can be accommod…
The ability to disperse metal nanoparticles over a high surface area support is critical for catalyst preparation. For impregnation techniques, there are many fundamental questions about the spreading, diffusion, and coarsening behavior of metal intermediates during the drying and thermal treatments. We employ in situ…
Abstract Extrusion foaming of poly(3‐hydroxybutyrate‐ co ‐3‐hydroxyvalerate) (PHBV) and two blends of PHBV with cellulose acetate butyrate (CAB) were studied using an azodicarbonamide (AZ) blowing agent and a single‐screw extruder. The concentration of the blowing agent was systematically varied from 0 to 4.0 phr to a…
Gel nach Maß: Das Fusionsprotein ULD-TIP-1 aus der Ubiquitin-artigen Domäne (ULD) und dem Tax-bindenden Protein 1 (TIP-1) verstärkt die Wechselwirkungen zwischen Fasern, die aus Bausteinen mit einem spezifisch an ULD-TIP-1 bindenden Peptid gebildet werden. Die mechanischen Eigenschaften der resultierenden Hydrogele (s…
First-principles electronic-structure calculations based on density functional theory with the local density approximation were carried out to investigate the effect of tangential strain on the work function for a set of noble and transition metals. For elements of the same series, the stress-charge coefficients are o…
The working mechanism of nanoporous energy absorption system (NEAS) under high speed impact loading conditions are explored using molecular dynamics simulations, and the effects of loading rate and tube size are also considered. The present NEAS is composed of a single-walled carbon nanotube (CNT) segment and water mo…
Advances in nanopatterned surface fabrication have sparked an interest in studying surface topology effects on heat transfer across liquid-solid interfaces (LSIs). In this study, molecular dynamics (MD) simulations are conducted to examine the effects of surface nanopatterning on the thermal resistance across LSIs. It…
Abstract ABA stereo triblock polylactides consisting of PLLA and PDLA are prepared by two‐step ROP of L ‐ and D ‐lactides. In the first step, PDLA prepolymers with bishydroxyl terminals are prepared that are then used as macroinitiators in the ROP of L ‐lactide to obtain the target t‐sb‐PLAs with different block compo…
Abstract A scalable wet chemical process has been used to convert the intricate silica microshells (frustules) of diatoms into gold structures that retained the three‐dimensional (3‐D) frustule shapes and fine patterned features. Combined use of an amine‐enriching surface functionalization protocol and electroless dep…
Anion substitution is at present one of the pathways to destabilize metal borohydrides for solid state hydrogen storage. In this work, a solid solution of LiBH4 and LiCl is studied by density functional theory (DFT) calculations, thermodynamic modeling, X-ray diffraction, and infrared spectroscopy. It is shown that Cl…
Metallic wire based single jersey knitted fabrics were produced in different construction to study the electromagnetic shielding characteristics. In one construction, bare silver coated copper wire along with cotton yarn was used to knit fabric by ‘plating’ technique. In another construction, core spun metallic wire y…
pH-responsive Polymersome wurden nach Einschluss eines Enzyms per UV-Vernetzung stabilisiert. Durch die Stabilisierung wurde ein reversibles Quell- und Entquellverhalten ermöglicht. Ein kontrollierter Einsatz des eingeschlossenen Enzyms war damit bei pH 6 möglich, da das Substrat im leicht sauren Milieu die Membran pa…
We report on theoretical studies of electronic transport in the archetypical molecular hybrid formed by DNA wrapped around single-walled carbon nanotubes (CNTs). Using a Green's function formalism in a π-orbital tight-binding representation, we investigate the role that spin-orbit interactions play on the CNT in the c…
Abstract Toughening of polyamide 6 (PA6) can be achieved by appropriate addition of an elastomeric matrix phase; however, this leads to a loss of rigidity and mechanical strength. As a result, much research has been directed at obtaining an optimal balance between toughness and rigidity for these thermoplastics. The a…
A novel glutathione peroxidase (GPx) mimic has been prepared by incorporation of a selenium-based catalytic unit into the focal point of a fully-branched hyperbranched polymer. First, an AB(2) monomer consisting of isatin and an electron rich aromatic moiety was polycondensed in the presence of 5-nitroisatin as a core…
In this paper, the responses of shape memory polymer (SMP) helical springs under axial force are studied both analytically and numerically. In the analytical solution, we first derive the response of a cylindrical tube under torsional loadings. This solution can be used for helical springs in which both the curvature…
Nanodiamonds (NDs) possess many excellent physical and chemical properties that make them attractive materials for applications in biomedicine. In this paper, the adsorption and delivery of a large amount of sodium ions into the cell interior by NDs in serum-free medium is demonstrated. The excess sodium ions inside t…
Serum albumin is one of the most widely studied proteins. It is the most abundant protein in plasma with a typical concentration of 5 g/100 mL and the principal transporter of fatty acids in plasma. While the crystal structures of human serum albumin (HSA) free and in complex with fatty acids, hemin, and local anesthe…