Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Wrapping of carbon nanotubes (CNTs) by single-stranded DNA (ssDNA) was found to be sequence-dependent. A systematic search of the ssDNA library selected a sequence d(GT)n, n = 10 to 45 that self-assembles into a helical structure around individual nanotubes in such a way that the electrostatics of the DNA-CNT hybrid d…
Reflection profiles were analyzed from microgravity-grown ( micro g) and earth-grown insulin crystals to measure mosaicity (eta) and to reveal mosaic domain structure and composition. The effects of cryocooling on single-domain and multi-domain crystals were compared. The effects of cryocooling on insulin structure we…
The hybrid cluster protein (HCP) from the sulfate-reducing bacteria Desulfovibrio desulfuricans ATCC 27774 has been isolated and crystallized anaerobically. The protein sample used in the crystallization studies was several months old, having been stored at 193 K, and initial crystal structure studies were unable to f…
Abstract The effect of the chemical modification of the silica surface by the silane coupling agent (Si69) on both the real and the imaginary parts of the shear compliance ( J′ , J″ ) on silica‐filled butyl rubber vulcanizates was investigated in a wide temperature and frequency range, −70 to 120 °C and 10 −4 to 10 Hz…
Sodium intercalation into the oxide slabs of the cation-deficient n = 2 Ruddlesden−Popper oxysulfide Y 2 Ti 2 O 5 S 2 to produce α-Na x Y 2 Ti 2 O 5 S 2 (0 < x ≤ 1.0) is reported. These materials have been probed as a function of the amount of intercalated sodium using high-resolution neutron powder diffraction. At al…
Abstract Silicon nanoparticles were produced by a relatively low temperature (164 °C), solution-phase synthesis. The particles exhibit UV to blue photoluminescence (PL) which varied with excitation wavelength. The average lifetimes, excited at 300 nm, ranged from 4.4 to 5.9 ns. The mean particle diameter, determined b…
Dissimilatory sulfite reductase D (DsrD) from Desulfovibrio vulgaris has been crystallized for a neutron diffraction study. The initial crystals obtained were too small for the neutron experiment. In order to obtain a larger crystal (>1 mm3), a combination of two techniques was developed to determine the optimum cryst…
Plants of the Dorstenia genus, used in traditional medicine and as food ingredient in Africa, are rich in polyphenolic compounds which can be involved in prevention of disease and food spoilage through their antioxidant activity. The antiradical activities of extracts of Dorstenia psilurus. D. ciliata and a phenolic c…
A random tunneling algorithm (RTA) is derived from the terminal repeller unconstrained subenergy tunneling (TRUST) algorithm, and the parallelization of the RTA is implemented with an island parallel paradigm. Combined with the techniques of angular moving, the parallel random tunneling algorithm (PRTA) is applied to…
Structural refinement of proteins involves the minimization of a target function that combines X-ray data with a set of restraints enforcing stereochemistry and packing. Electrostatic interactions are not ordinarily included in the target function, partly because they cannot be calculated reliably without a descriptio…
Using synchrotron radiation, X-ray data have been collected from Pyrococcus furiosus ornithine carbamoyltransferase (Pfu OTCase) to a maximal resolution of 1.87 A, allowing the refinement of a previous structure at 2.7 A [Villeret et al. (1998), Proc. Natl Acad. Sci. USA, 95, 2801-2806]. Thanks to the high resolution…
The three-dimensional crystal structure of the triple-point mutant of the catalytic subunit of human protein kinase CK2alpha has been determined at 2.4 A resolution. Microcrystals of mutant CK2 catalytic subunit were obtained by a protein-crystallization method based on thin-film nanotechnology. These microcrystals (o…
Anticipating a continuing increase in the number of structures solved by molecular replacement in high-throughput crystallography and drug-discovery programs, a user-friendly web service for automated molecular replacement, map improvement, bias removal and real-space correlation structure validation has been implemen…
Titanium−silicon binary oxide thin films of differing TiO 2 content were prepared by using an ionized cluster beam (ICB) deposition method using multi-ion sources under a dry preparation process. From the results of UV−vis absorption measurements, binary oxide thin films with low TiO 2 content showed much higher trans…
Microstructural Design for Enhanced Elevated Temperature Properties in Sand-castable Magnesium Alloys - C. Bettles & M. Gibson Thermodynamic Database for Mg-alloys: Progress and Application to Mg-Al-Ca-Si Alloy Development - R. Schmid-Fetzer & J. Grobner Development of the New Creep Resistant Alloy AS31 - CV. Agalakov…
Collection of quality data on high-energy synchrotron sources requires the selection of a cryoprotectant that allows protein crystals to be cryocooled without damage to the crystal and with suppression of ice formation. The use of sodium malonate as a versatile cryoprotectant for salt-grown protein crystals is present…
Fisher's information is a statistical quantity related to maximum-likelihood theory. It is a matrix defined as the expected value of the squared gradient of minus the log-likelihood function. This matrix is positive semidefinite for any parameter value. Fisher's information is used in the quasi-Newton scoring method o…
The (TCNE)(2)(2)(-) dimer dianion formed by connecting two TCNE(-) anions via a four-center, two-electron pi-orbital bond is studied using ab initio theoretical methods and a model designed to simulate the stabilization due to surrounding counterions. (TCNE)(2)(2)(-) is examined as an isolated species and in a solvati…
A procedure to obtain homogeneous free-standing polypyrrole (ppy) films 10−20 μm thick is described. The resulting films have mechanical characteristics good enough to be used as a working electrode for electrochemical measurements and applications. Structures and uniformity of both film surfaces and the cross section…
A zinc complex of (3-pyridyl)porphyrin with an alkynyl sidearm (1) preferentially formed a cyclic tetramer in toluene, which showed supramolecular thermochromism at ambient temperatures of 0-100 degrees C. Because of an appropriate extension of pi-electronic conjugation of the porphyrin chromophore, the thermal-induce…