Materials Literature
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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
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructure and chemical properties of ptilomycalin AIkuko Ohtani, Takenori Kusumi, Hiroshi Kakisawa, Yoel Kashman, and Shulamit HirshCite this: J. Am. Chem. Soc. 1992, 114, 22, 8472–8479Publication Date (Print):October 1, 1992Publication History Published online1 May 2002Publ…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPoly(β-hydroxybutyrate) stereoisomers: a model study of the effects of stereochemical and morphological variables on polymer biological degradabilityJohn E. Kemnitzer, Stephen P. McCarthy, and Richard A. GrossCite this: Macromolecules 1992, 25, 22, 5927–5934Publication Date…
Abstract The thermal degradation of polymethacrylic acid was found to have two separate decomposition regions. The first decomposition region, due to anhydride formation primarily, was caused by the conversion of polymethacrylic acid to polymethacrylic anhydride. This reaction followed first‐order kinetics and had an…
Abstract Sorption and diffusion of water vapor are investigated gravimetrically for polyimide films. The activity dependence of the solubility and diffusion coefficients, S and D , respectively, is classified under four types: (1) constant S and D type, (2) dual‐mode sorption and transport type, (3) dual‐mode type fol…
Development of porous anodic films on aluminium has been investigated by transmission electron microscopy of ultramicrotomed sections, with particular attention directed to the location and origin of the non-uniform thickening of the initial barrier oxide. Preparation of thin ultramicrotomed sections, less that 10 nm…
A texture model suitable for use in Rietveld-refinement programs is proposed. It is based on the series expansion of the pole distribution function in symmetrized harmonics. The model was tested on a textured plate sample of Al 2 O 3 .
The amino acid sequences of the NH2 terminus and internal peptide fragments of a Rhodococcus rhodochrous J1 nitrilase were determined to prepare synthetic oligonucleotides as primers for the polymerase chain reaction. A 750-base DNA fragment thus amplified was used as the probe to clone a 5.4-kilobase PstI fragment co…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRosarin: a new, easily prepared hexapyrrolic expanded porphyrinJonathan L. Sessler, Steven J. Weghorn, Takashi Morishima, Miguel Rosingana, Vincent Lynch, and Virgil LeeCite this: J. Am. Chem. Soc. 1992, 114, 21, 8306–8307Publication Date (Print):October 1, 1992Publication H…
ADVERTISEMENT RETURN TO ISSUEPREVArticlePerfluorinated polyimide synthesisShinji Ando, Tohru Matsuura, and Shigekuni SasakiCite this: Macromolecules 1992, 25, 21, 5858–5860Publication Date (Print):October 1, 1992Publication History Published online1 May 2002Published inissue 1 October 1992https://pubs.acs.org/doi/10.1…
Polyaniline (PANI) electrodes with redox capacities >1 C/cm 2 were investigated by in situ electrogravimetry in aqueous electrolytes of pH values varying from <0 to 3 and in nonaqueous, propylene carbonate‐based media. Film mass, volume, and bulk density were determined in situ as a function of electrode potential. Fo…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAdsorption of poly(styrenesulfonate) onto an ammonium monolayer on mica: a surface forces studyPeter Berndt, Kazue Kurihara, and Toyoki KunitakeCite this: Langmuir 1992, 8, 10, 2486–2490Publication Date (Print):October 1, 1992Publication History Published online1 May 2002Pub…
C 2 H 2 cristallise dans Pa3, Z=4, avec a T=131, 141K, a o =6.0940,6.1050; et affinement jusqu'a R=0.065,0.052. C 2 D 2 cristallise a T=143K dans Pa3 avec Z=4, a o =6.1020A, et a T=15K dans Acam avec Z=4, a=6.198, b=6.023, c=5.578A. Pour ces deux temperatures, l'affinement atteint R=0.068, 0.081
Recent progress in the field of charge storage and charge transport in polymers irradiated with partially penetrating electron beams is discussed. The analytical model used to describe these phenomena takes the following physical parameters and processes into consideration: charge and energy deposition profiles, ohmic…
The use of an implanted, mass-separated carrier-free 105Ag radiotracer improves the sensitivity for measuring grain-boundary (GB) penetration profiles. In this way the GB self-diffusion coefficient DGB in silver was directly determined from experiments in type-C kinetics conditions. When multiplying the DGB values wit…
The extraction of pure-specimen X-ray diffraction-line broadening is described using a convolution of the instrumental profile and an exact Voigt function. Real Fourier coefficients were computed from the Cauchy and Gauss integral breadths and were input for Warren–Averbach analysis. Smooth surface-weighted and volume…
A force field (MSXX) for molecular dynamics simulations of silicon nitride is derived using the Hessian biased technique from ab initio calculations on N(SiH3)3 and Si(NH2)4 clusters. This is used to model the nitrogen and silicon centers of the α and β forms of crystalline Si3N4 for prediction of crystal structures,…
The metal-insulator transition in the orthorhombic perovskites PrNiO 3 and NdNiO 3 is accompanied by the sudden 3D magnetic ordering of the Ni ions (μ Ni ≈ 0.9 μ B ). The magnetic ground state, described by a commensurate κ = (1/2, 0, 1/2) spin density wave, is unprecedented in a perovskite structure. The coexistence…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis, self-assembly, and photophysical dynamics of stacked layers of porphyrin and viologen phosphonatesSolomon B. Ungashe, William L. Wilson, Howard E. Katz, Geoffrey R. Scheller, and Thomas M. PutvinskiCite this: J. Am. Chem. Soc. 1992, 114, 22, 8717–8719Publication D…
From a genomic library of Chromatium vinosum strain D in lambda L47, a 16.5-kbp EcoRI-restriction fragment was identified by hybridization with a DNA fragment harboring the operon for Alcaligenes eutrophus poly(3-hydroxyalkanoate) (PHA) synthesis. This fragment and subfragments thereof restored the ability to synthesi…