Materials Literature
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In this study, fluorescent alternative copolymer poly(fluorene- alt -1,6-naphthol) (PFN) with inherent hydroxyl (OH) groups was blended with poly(vinyl pyrrolidone) (PVR) through facile hydrogen-bond (H-bond) interactions. The emission intensities of the resultant PFN/PVR mixtures of different compositions were shown…
Abstract This article describes a new synthesis strategy to prepare diblock copolymers as model compounds for industrially produced cellulose ethers exemplified with methylcellulose (MC). To elucidate a key structure for thermoreversible gelation of MC, five regioselectively methylated celluloses 1–5 (236, 23, 26, 3,…
An X-ray and a theoretical study of the structure of the isoniazid derivative N'-(4-dimethylaminobenzylidene)-isonicotinohydrazide monohydrate (1) are reported. In this work, we will report a combined experimental and theoretical study on the molecular structure, vibrational spectra and energies of N'-(4-dimethylamino…
To investigate whether polyoxometallate α-PW 12 O 40 3− Keggin anions (noted PW 3− ) repulse each other in water, we calculated the changes in free energy ΔG( d ) as a function of the P…P distance d (potential of mean force “PMF” calculations). As the anions approach each other, the free energy profiles are found to b…
The CO oxidation reaction pathways on the negatively charged Au 10 –1 cluster are investigated using density functional theory calculations. Pre-exponential factors and reaction rate constants of each elementary step are calculated using statistical mechanics. Our results demonstrate that the reaction of CO and O 2 on…
Surface treatment is an important step of papermaking, namely for improving the final product quality. For uncoated printing and writing papers (P&W), surface sizing is becoming a common practice for controlling paper surface characteristics and liquid spreading and absorption. This work aims at evaluating the potenti…
The mutants Mut5 and Mut5CC from a psychrophilic α-amylase bear representative stabilizing interactions found in the heat-stable porcine pancreatic α-amylase but lacking in the cold-active enzyme from an Antarctic bacterium. From an evolutionary perspective, these mutants can be regarded as structural intermediates be…
The effectiveness of a multifunctional scaffold produced by the electrospinning of emulsions composed of organic PLGA and aqueous collagen-like protein (denoted as Fol-8Col) solutions is demonstrated. The resultant Fol-8Col/PLGA fibrous scaffolds with homogeneous morphology have mean fiber diameters from 600 to 2,000…
Abstract The structural transformation of homogeneously nucleated metastable mesophase of polypropylene (PP) particles was investigated in this study. We demonstrated the formation of heterogeneity‐free mesophase by slow cooling of the droplets unlike mesophase formation by quenching of the PP melt, which contained la…
We demonstrate the plasmon-selective and driven deposition of (bipyramidal) Au nanoparticles on transparent substrates (glass coverslips) utilizing total internal reflection (TIR) illumination. Near-IR laser light undergoing TIR at a glass-water interface causes colloidal Au bipyramids to irreversibly deposit onto the…
The effect of lithium doping on the reactivity of single-wall carbon nanotubes (SWCNTs) was studied by means of first principle calculations. Two prototype reactions were considered, the 1,3 dipolar cycloaddition and the attachment of free radicals. The results obtained employing the PBE, M06L, and M06-2X functionals…
We investigate the effect of block copolymer (BCP) molecular weight and connectivity on the morphology and time–temperature dependent swelling of thin film hydrogels created through layer-by-layer (LbL) assembly of BCP micelles with poly(acrylic acid). BCPs of poly( N, N -dimethylaminoethyl methacrylate) (D) and poly(…
Ideal shear strength under superimposed normal stress of cubic covalent crystals (C, Si, Ge, and SiC) is evaluated by ab initio density functional theory calculation. Shear directions in [112] and [110] on the (111) plane are examined. The critical shear stress along the former direction is lower than that along the l…
Hydrophobic surfaces with microscale roughness can be rendered ultrahydrophobic by the addition of sub-micron-scale roughness. A simple yet highly effective concept of fabricating hierarchical structured surfaces using a single-step deep reactive ion etch process is proposed. Using this method the complexities general…
A nanocomposite of polyaniline-titanium dioxide (PANi-TiO2, 50 wt%) was doped with camphor sulfonic acid (CSA) by solid state reaction with increasing CSA content up to 50 wt% in a smooth agate mortar. CSA doped PANi-TiO2 was dissolved in m-cresol and films were cast using a spin-coating technique. The doping effect o…
Resonant leaky modes can be induced on dielectric, semiconductor, and metallic periodic layers patterned in one or two dimensions. In this paper, we summarize their physical basis and present their applicability in photonic devices and systems. The fundamental amplitude and phase response of this device class is prese…
Four novel multifunctional polyoxometalate (POM)-based inorganic-organic hybrid compounds, [α(2)-P(2)W(17)O(61){(RGe)}](7-) (Ge-1, R(1) = HOOC(CH(2))(2(-)) and Ge-2, R(2) = H(2)C═CHCH(2(-))) and [α(2)-P(2)W(17)O(61){(RSi)(2)O}](6-) (Si-1, R(1) and Si-2, R(2)), were prepared by incorporating organic chains having termi…
OBJECTIVES: In this study, we investigated the potential harmful effect of the exposure to silicon dioxide (SiO(2)) nanoparticles through in vitro toxicity assay using human bronchial epithelial cell, Beas-2B with a focus on the involvement of oxidative stress as the toxic mechanism. METHODS: SiO(2)-induced oxidative…
We have investigated the electronic properties and adsorption site of iron adatoms on monolayer and bilayer graphene on Ru(0001) by means of scanning tunneling microscopy/spectroscopy at 5 K. On monolayer graphene we find that Fe adatoms reside in the valleys and the ripples' edges within the moir\'e pattern. We corre…
Films of semiconductor quantum dots (QDs) are promising for lighting technologies, but controlling how current flows through QD films remains a challenge. A new design for a QD light-emitting device that uses atomic layer deposition to fill the interstices between QDs with insulating oxide is introduced. It funnels cu…