Materials Literature
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Solid pure ruthenium phthalocyanine, obtained from its adduct [PcRu(DMSO)(2)].2DMSO, is an amorphous material, and its structure has been examined by the large-angle X-ray scattering (LAXS) technique. Experimental data are best fitted by assuming that ruthenium phthalocyanine is dimeric, i.e. (PcRu)(2), with a short i…
Splitting of disclinations (decay of disclinations into small-power disclinations) at grain boundary junctions in polycrystalline solids is examined theoretically, and related to local amorphization. Energetic characteristics of the splitting process are revealed. It is shown that such a process competes effectively w…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMorphology and Thermal Properties of Fully Syndiotactic PolypropyleneAndrew J. Lovinger, Bernard Lotz, Don D. Davis, and Martina SchumacherCite this: Macromolecules 1994, 27, 22, 6603–6611Publication Date (Print):October 1, 1994Publication History Published online1 May 2002P…
The solution structure of the 92-residue DNA-binding domain of the heat shock transcription factor from Kluyveromyces lactis has been determined using multidimensional NMR methods. Three-dimensional (3D) triple resonance, 1H-13C-13C-1H total correlation spectroscopy, and 15N-separated total correlation spectroscopy-he…
We present Monte Carlo computer simulations of model nematic droplets that mimic polymer dispersed liquid crystals (PDLC's) with bipolar boundary conditions. We investigate the orientational order and the molecular organization in these systems for various anchoring strengths and for external applied fields of differe…
We report the formation of porous p-type 6H-SiC. The existence of uniformly dispersed pores was confirmed by transmission electron microscopy, with interpore spacings in the range of 1–10 nm. The porous film as a whole is a single crystal. Luminescence peaks above the normal band gap of 6H-SiC have been observed in th…
We have observed the amorphization of single-crystal MgA12O4 spinel induced by 400 keV Xe2+ -ion irradiation at 100K to a peak damage level of 25 displacements per atom (dpa). Rutherford backscattering spectrometry combined with ion channelling showed that the amount of radiation damage accumulated with increasing dos…
Homogeneous metastable tetragonal ( t ′) solid solutions of ZrO 2 — x mol% CeO 2 ( x = 20 and 50) were successfully synthesized by the organic polymerized complex method. The citric acid‐ethylene glycol solution containing Zr and Ce ions was polymerized at about 140°C and then heat‐treated at about 350°C to obtain a p…
Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for an ML revolution and have already been profoundly affected by the application of existing ML ...Read More
Abstract The structure of four semicrystalline poly(ethylene terephthalate) fibers were analyzed with full‐pattern (two‐dimensional Rietveld) x‐ray diffraction refinement, small‐angle x‐ray scattering, and thermal mechanical analysis, and compared to some of their known mechanical properties. The classical two‐phase m…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectronic Structures of Halogenated Porphyrins: Spectroscopic Properties of ZnTFPPX8 (TFPPX8 = Octa-.beta.-halotetrakis(pentafluorophenyl)porphyrin; X = Cl, Br)Toshihiko Takeuchi, Harry B. Gray, and William A. Goddard IIICite this: J. Am. Chem. Soc. 1994, 116, 21, 9730–9732…
Abstract A selection of charged water‐soluble phthalocyanines was employed for the photocatalytic oxidation of 2‐mercaptoethanol in aqueous alkaline solution in the presence of oppositely charged detergents. Most efficient are Zn(II) and Al(III) phthalocyaninetetrasulfonic acids, which oxidize the thiolate to the sulf…
We report the direct femtosecond measurements of the electron transfer process from CdS to TiO2 particles in a coupled colloidal system. The electrons initially created in the conduction band and quickly trapped at the liquid–solid interface in aqueous CdS colloids are found to be transferred to the colloidal TiO2 par…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLamellar Diblock Copolymer Grain Boundary Morphology. 4. Tilt BoundariesSamuel P. Gido and Edwin L. ThomasCite this: Macromolecules 1994, 27, 21, 6137–6144Publication Date (Print):October 1, 1994Publication History Published online1 May 2002Published inissue 1 October 1994ht…
A method was developed to compare protein structures and to combine them into a multiple structure consensus. Previous methods of multiple structure comparison have only concatenated pairwise alignments or produced a consensus structure by averaging coordinate sets. The current method is a fusion of the fast structure…
The non-enzymatic deamidation at residues Asn-12 and Asn-38 of Escherichia coli phosphocarrier protein, HPr, and the repair of the resulting L-isoaspartyl (or beta-aspartyl) derivatives, HPr-1 and HPr-2, by recombinant human S-adenosylmethionine-dependent L-isoaspartate-(D-aspartate) O-methyltransferase (EC 2.1.1.77)…
Recently, the transition to ferromagnetic order has been found in crystals of organic compounds not containing metallic elements. The progress of the research is reviewed starting from the initial stage of study to obtain the design strategies to induce ferromagnetic interaction in organic crystals to the discovery of…
Several cyanovinyl aromatics and related compounds were newly designed and synthesized for the enhancement of second-order nonlinear optical susceptibility (β) without narrowing the optical transparency. The values of net dipole moment and second-order nonlinear optical susceptibility were tuned by control of vector d…
Iodine separation technology using an inorganic adsorption material has been investigated in order to apply the technology to the off-gas treatment systems of nuclear facilities. Iodine removal efficiencies were checked by laboratory experiments using simulated off-gas streams of various conditions and the developed a…
Abstract The effect of cross‐link density on the morphology and properties of two flexible molded foam samples was studied. Film samples based on the same foam formulations were also fabricated to study the feasibility of using them for the characterization of complex foam products. Fourier transform infrared spectros…