Materials Literature
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Molecular dynamics simulations are performed to demonstrate that the graphene nanoribbon (GNR) could helically wrap onto and insert into the single-walled carbon nanotube (SWNT) to form helical configurations, which are quite close to the helices found in nature. The steady decline of the potential energy suggests tha…
Abstract Transesterification of methyl esters of rapeseed oil with ethylene glycol in excess led to a ω‐hydroxy fatty ester with a yield of 90%. 2‐Mercaptoethanol was grafted onto the double bonds of this ω‐hydroxy fatty ester by UV initiated thiol‐ene coupling under mild conditions. Double bond conversion was found t…
This work reports on thermally tunable surface wettability of electrospun fiber mats of: polystyrene (PS)/poly(N-isopropylacrylamide) (PNIPA) blended (bl-PS/PNIPA) and crosslinked poly[(N-isopropylacrylamide)-co-[methacrylic acid)] (PNIPAMAA) (xl-NIPAMAA). Both the bl-PS/PNIPA and xl-PNIPAMAA fiber mats demonstrate re…
Single-crystal-like, hierarchically nanoporous silica SBA-1 particles were successfully fabricated by employing organic mesomorphous complexes of polyelectrolyte (poly(acrylic acid) (PAA)) and cationic surfactant (hexadecylpyridinium chloride (CPC)) as templates. By adjusting the amount of PAA in the synthesis, a seri…
The calcium L(23) absorption edge is very sensitive to changes in local symmetry. Distinct spectra from calcite and aragonite as well as two different amorphous phases of calcium carbonate have been reported. Multiplet calculations using the CTM4XAS code, taking account of the local symmetry and the crystal field, sug…
Gold nanoparticles (Au NPs) have been studied for both photothermal therapy and imaging. Efficient photothermogenic response to near-infrared light is necessary for in vivo applications. In this study, the photosensitive properties of Au NPs were theoretically analyzed by self-consistent treatment of Maxwell’s equatio…
The ability of ligands to displace conserved water molecules in protein binding sites is of significant interest in drug design and is particularly pertinent in the case of glycomimetic drugs. This concept was explored in previous work [ Clarke et al. J. Am. Chem. Soc. 2001 , 123 , 12238 - 12247 and Kadirvelraj et al.…
Chitosan-coated nanoliposomes containing etofenprox or alpha-cypermethrin prepared by ultrasonic homogenization maintained a size distribution in the nanometre range. Nanoliposomes were constructed using different types and concentrations of chitosan to regulate the mean size and surface charge. As the chitosan concen…
Broadband wide-angle antireflection characteristics of aluminum-doped zinc oxide (AZO)/silicon (Si) shell/core subwavelength grating (SWG) structures with a hydrophobic surface, together with theoretical prediction using a rigorous coupled-wave analysis simulation, were investigated for Si-based solar cells. The AZO f…
The effect of multivalency manganese doping on the defect structure and enhanced electrical resistivity is studied for the high-temperature piezoelectric ($1\ensuremath{-}x$)BiScO${}_{3}$--$x$PbTiO${}_{3}$ (BSPT) solid-solution system by means of multifrequency electron paramagnetic resonance spectroscopy combined wit…
Uniform distribution of nanofillers in polymer matrix is posing a major challenge in exploiting the full potential of nanomaterials. Various fillers are being evaluated to improve the performance of biopolymer films like starch. In this work, nanocellulose is used as fillers to increase the performance characteristics…
The 2,4,6-triethylbenzene-capped hexaamine macrobicycle with pyridyl spacers (pyr) was able to coordinate three copper(II) ions within its cavity. Potentiometric studies performed at 298.2 K in MeOH/H(2)O (50:50 v/v) and at ionic strength 0.10 mol dm(-3) in KNO(3) revealed that trinuclear species predominate in soluti…
Novel human-like collagen (HLC)/chitosan blended with poly(ethylene oxide) (PEO) nanofibrous meshes of different ratios were fabricated by electrospinning from aqueous solutions. Through studying the effects of the three composition on the solution rheological properties and the morphology of electrospun meshes, the m…
Oxide coating layers were formed on a pure magnesium (Mg) substrate through anodization and micro-arc oxidation (MAO) in order to enhance the biocompatibility and reduce the degradation rate. A thin, smooth MgO coating layer was formed after the anodization. On the other hand, when the Mg was treated using the MAO pro…
The electronic structure of small Pt n ( n = 1–8) clusters supported on the stoichiometric and partially reduced rutile TiO 2 (110) surface have been investigated using density functional theory. Pt atoms prefer to form a close-packed structure with (111) facet near an oxygen vacancy of the TiO 2 support and a less de…
Using a combination of experimental and computational techniques, changes in the domain structures seen in freestanding single-crystal platelets of BaTiO${}_{3}$ have been described in terms of a second-order phase transition. The transition is driven by the change in the length-to-width ratio of the platelet sidewall…
The ferroelectric behavior of BiFeO(3) thin films is modified by changing the film thicknesses, where the BiFeO(3) thin films with different thicknesses were grown on SrRuO(3)/Pt/TiO(2)/SiO(2)/Si(100) substrates by radio frequency sputtering. The mixture of (110) and (111) orientations is induced for all BiFeO(3) thin…
First-principles density-functional calculations are used to study the charged vacancies in ferroelectric perovskite PbTiO${}_{3}$. We systematically determine the vacancy formation energies of ${\mathrm{V}}_{\mathrm{Pb}}$, ${\mathrm{V}}_{\mathrm{Ti}}$, ${\mathrm{V}}_{\mathrm{O}1}$, and ${\mathrm{V}}_{\mathrm{O}2}$ as…
A series of polyaspartamide derivatives were synthesized by grafting O-(2-aminoethyl)-O'-methylpoly(ethylene glycol) 5000 (MPEG), 1-(3-aminopropyl) imidazole (API), and cinnamate onto polysuccinimide (PSI) with the respective degrees of substitution adjusted by the feed molar ratio. The chemical structure of the prepa…
Microbiological processes were used for chitin and chitosan production by Mucor circinelloides (UCP 050) grown in yam bean (Pachyrhizus erosus L. Urban) medium. The polysaccharides were extracted by alkali-acid treatment and structural investigations by X-ray diffraction, Fourier transform IR analysis, viscosity and t…