Materials Literature
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One dimensional TiO2-B nanorods are synthesized by a conventional hydrothermal approach under highly concentrated alkali hydroxide solutions. Various characterization techniques such as X-ray diffraction, Raman studies, BET surface area measurements, scanning electron microscopy and transmission electron microscopy (T…
The structure and electronic properties of guanine oligomers and π stacks of guanine quartets (G-quartets) with circulene are investigated under an external field through first-principles calculations. An electric field induces nonplanarity in the guanine aggregates and also leads to an increase in the H-bond distance…
Archaea such as Metallosphaera sedula are thermophilic lithoautotrophs that occupy unusually acidic and metal-rich environments. These traits are thought to underlie their industrial importance for bioleaching of base and precious metals. In this study, a genetic approach was taken to investigate the specific relation…
A clever combination: A series of phenylene vinylene oligomers, in which the conjugated segments are held in a well-defined stacked arrangement along their entire length, was studied experimentally and theoretically (see picture). The impact of the extended interchain interactions on the photophysics of the π-stacked…
Zinc phthalocyanine (ZnPc) is a promising photosensitizer for photodynamic therapy, but faces some challenges: ZnPc is insoluble in water and thus requires either special formulation of ZnPc by, e.g., liposome or Cremophor EL, or chemical modification of Pc ring to enhance its bioavailability and photodynamic efficacy…
The development of new electrode materials, which are composed of Earth-abundant elements and that can be made via eco-efficient processes, is becoming absolutely necessary for reasons of sustainable production. The 3.9 V triplite-phase of LiFeSO(4)F, compared to the 3.6 V tavorite-phase, could satisfy this requiremen…
We present a new method based on fast Fourier transform (FFT) for evaluating the thermal expansion coefficient and thermomechanical properties of thin films. The silicon nitride thin films deposited on Corning glass and Si wafers were prepared by plasma-enhanced chemical vapor deposition in this study. The anisotropic…
In this study, we investigated the helix-sense-selective polymerizations of newly synthesized achiral phenylacetylenes having two N -alkylamide groups, such as 3,5-bis(dodecylamide)phenylacetylene ( DAPA ), 3,5-bis(octylamide)phenylacetylene ( OAPA ), and 3,5-bis(butylamide)phenylacetylene ( BAPA ), by using a chiral…
A series of four stable synthetic bacteriochlorins was tested in vitro in HeLa cells for their potential in photodynamic therapy (PDT). The parent bacteriochlorin (BC), dicyano derivative (NC)(2)BC and corresponding zinc chelate (NC)(2)BC-Zn and palladium chelate (NC)(2)BC-Pd were studied. Direct dilution of a solutio…
The natural products pyrroindomycins (PYRs), active against various drug-resistant pathogens, possess a characteristic, cyclohexene ring spiro-linked tetramate moiety. In this study, investigation into PYR biosynthesis revealed two new proteins, both of which, phylogenetically distinct from but functionally substituta…
Photoemission and near-edge X-ray absorption fine structure (NEXAFS) techniques have been used to study the adsorption of pyrocatechol on anatase TiO 2 (101) and rutile TiO 2 (110) single crystals. Photoemission results suggest the pyrocatechol molecule adsorbs on both surfaces predominantly in a bidentate geometry. U…
Fluorescence yield (FY) detected x-ray absorption spectra (XAS) of 3d transition metal ions are calculated from the integrated 2p3d resonant x-ray emission spectra. The resulting FY-XAS spectra are compared with the normal XAS spectra corresponding to the absorption cross section and significant deviations between the…
We present a novel, simpler to use modification of the standard COSMO-RS solubility prediction scheme which in addition can achieve higher accuracy by the usage of multiple experimental reference solubilities. When only one reference solvent is used, the approach reduces to the original COSMO-RS-based solubility predi…
Changes in intermittent serrated flow behavior during plastic deformation of Zr${}_{64.13}$Cu${}_{15.75}$Ni${}_{10.12}$Al${}_{10}$, a representative glassy metal with characteristic ductility, in response to variant strain rates and temperatures were examined. The influence of strain rates and environmental temperatur…
We used molecular simulations to assess the performance of zeolite imidazolate framework (ZIF) based mixed matrix membranes (MMMs) for CO 2 /CH 4, H 2 /CH 4, and H 2 /CO 2 separations. The gas permeability of ZIF based MMMs was estimated based on the gas permeability of pure ZIFs obtained from molecular simulations an…
We report the linear and nonlinear regions of the relationship between number average molecular weight determined by gel permeation chromatography (GPC) and 1 H NMR end-group analysis for a series of o -tolyl-initiated poly(3-hexylthiophene)s (P3HTs). For conjugated polymers with chains that are 39–138 repeat units in…
Connectivity in metallic nanowire networks with resistive junctions is manipulated by applying an electric field to create materials with tunable electrical conductivity. In situ electron microscope and electrical measurements visualize the activation and evolution of connectivity within these networks. Modeling nanow…
Defects in the topological insulator Bi${}_{2}$Te${}_{2}$Se are studied by scanning tunneling microscopy. Small numbers of Te${}_{\mathrm{Bi}}$ antisite defects are found and are postulated to be the origin of $n$-type carriers in this tetradymite composition near the $n$-to-$p$ crossover. Based on this defect chemist…
A new cell-printed scaffold consisting of poly(ϵ-caprolactone) (PCL) and cell-embedded alginate struts is designed. The PCL and alginate struts are stacked in an interdigitated pattern in successive layers to acquire a three-dimensional (3D) shape. The hybrid scaffold exhibits a two-phase structure consisting of cell…
A family likeness: The seven-sided homologue of kekulene, septulene (see structure), has been synthesized in seven steps by ring-closing metathesis. Its properties (spectroscopic and structural) are strikingly similar to those of kekulene despite its sevenfold symmetry and resulting non-alternant structure. The chair-…