Materials Literature
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Abstract Two bead‐spring models of flexible chains for generic coarse graining of entangled polymer melts, the excluded volume Kremer–Grest (KG) model and the modified segmental repulsive potential (mSRP) combined with a weakly repulsive potential, are compared. For chains containing an equivalent number of entangleme…
Bone marrow mesenchymal stem cells (MSCs) have attracted considerable interest due to their ability to differentiate and contribute to the regeneration of mesenchymal tissues. The present study illustrates that the proper immobilization of heparin (Hep) and hyaluronic acid (HA) into a polypyrrole (PPy) matrix by elect…
Abstract A screen-printed poly(3,4-ethylenedioxythiophene) : poly(styrenesulfonate) (PEDOT : PSS) layer was used as the anode for a flexible white organic light-emitting device (FWOLED). After 700 bending cycles, the sheet resistance of the anode was increased to 1.8 times the initial value (296 Ω/□). The average tran…
The pentiptycene receptors form edge-to-face complexes with a variety of aromatic guests including nitroaromatics. X-ray diffractometry revealed that compounds 1, 2, and 3 form host–guest assemblies with a thienyl fragment (from a neightboring molecule of 1 ), benzene and nitrobenzene, respectively. X-ray studies of t…
Abstract In this study, the tribological performance of poly-ether-ketone (PEEK), ultrahigh molecular weight polyethylene (UHMWPE), glass fiber reinforced poly-tetra-fluoro-ethylene (PTFE) and PTFE reinforced poly-ether-imide (PEI) composite materials, under dry and lubricated conditions, were compared and evaluated.…
A series of cyclobutene-based macromonomers derived from monomethyl ether poly(ethylene oxide) (PEO), poly(ethyl acrylate) (PEA), poly( N -isopropylacrylamide) (PNIPAM), and PEO- b -PNIPAM were synthesized by “click” copper-catalyzed azide–alkyne cycloaddition (CuAAC) and reversible addition–fragmentation chain transf…
Molecular dynamics simulations of polyelectrolyte poly(acrylic acid) at infinitely dilute conditions in aqueous solutions containing up to 6 vol% ethanol were performed with explicit solvent and counter-ion description for varying degree of neutralisation. In the range of ethanol concentration employed, this study sho…
We perform molecular dynamics simulations to study the effect of charged surfaces on the intermediate and long time dynamics of water in nanoconfinements. Here, we use the transferable interaction potential with five points (TIP5P) model of a water molecule confined in both hydrophobic and charged surfaces. For a sing…
Glass-fiber-reinforced polyester (GFRP) plates are treated using a 50 Hz dielectric barrier discharge at a peak-to-peak voltage of 30 kV in helium at atmospheric pressure with and without ultrasonic irradiation to study adhesion improvement. The ultrasonic waves at the fundamental frequency of around 30 kHz with the s…
Two-dimensional insulators with time-reversal symmetry can have two topologically different phases, the quantum spin Hall and the normal phase. The former is revealed by the existence of conducting edge states that are topologically protected. Here we show that the reaction to impurity, in bulk, is radically different…
Abstract Because of the potential application of prodrugs of nonsteroidal anti‐inflammatory drugs (NSAIDs), Candida antarctica lipase B (CAL‐B) catalyzed polycondensation of profen‐containing diol monomers and diesters were designed to prepare a series of biodegradable polymeric prodrugs composed of NSAID branches and…
Fabrication, spectroscopic properties, and laser performance of a Yb:SiO(2) multicomponent glass have been investigated in this paper. The glass system composed of SiO(2), Al(2)O(3), and La(2)O(3) excels in terms of a high thermal stress resistance compared to other laser glasses. The laser experiments were conducted…
The controlled positioning of nanostructures with active molecular components is of importance throughout nanoscience and nanotechnology. We present a novel three-step method to produce nanostructures that are selectively decorated with functional molecules. We use fluorophores and nanoparticles to functionalize SiO f…
The detection and characterization of non-native interactions in a partially unfolded form of any protein are important not only with regard to how they might facilitate folding but also in the context of their possible role in driving the protein toward amyloid fibril formation. The SH3 domain of PI3 kinase is known…
The graphical approaches often have different backgrounds and view a system or an algebraic model from different perspectives in order to facilitate the communication and the understanding. These graphical approaches satisfy the modeling needs and give a clear and easily understandable overview of the behavioral and f…
Diesel low temperature combustion (LTC) is capable of producing diesel-like efficiency while emitting ultra-low nitrogen oxides (NOx) and soot emissions. Previous work indicates that well-controlled single-shot injection with exhaust gas recirculation (EGR) is an operative way of achieving diesel LTC from low to mid e…
A fluorene-based light-driven molecular rotary motor with constant rotation has been designed by means of ab initio molecular orbital calculations. A model molecule is obtained by a chemical modification of 9-(5-methyl-2-phenyl-2-cyclopenten-1-ylidene)-9H-fluorene (MPCPF) which we reported recently. Despite that MPCPF…
Raman spectroscopy is a powerful experimental technique for structural investigation of silicon based electronic devices such as metal–oxide–semiconductor-type structures. It is widely used for characterization of mechanical stress distribution in silicon substrate. However, in the case of Raman measurements of oxide…
Abstract In this contribution, a versatile approach for the synthesis of functionalized particles for drug delivery is presented, using two nonaggressive standardized procedures. The first procedure considered is the functionalization of an azido‐terminated α‐norbornenyl poly(ethylene oxide) (PEO) macromonomer with an…
A highly efficient domain decomposition method, called the dual-primal finite-element tearing and interconnecting (FETI-DP) method, is applied to improve the efficiency of three-dimensional (3-D) finite-element analysis of electromechanical and electric machine problems. The FETI-DP method decomposes an original large…