Ricard Gelabert、Miquel Moreno、José M. Lluch 等 5 位作者2005-03-24Journal of the American Chemical Society
Complex [CpIr(dmpm)H(2)](2+) (dmpm = bis(dimethylphosphino)methane) has been reported to display temperature-dependent spin-spin coupling constant ((1)J(HD)) and isotope effect on the (1)H NMR chemical shift (Deltadelta). A combined electronic structure density functional theory + quantum nuclear dynamics study is use…
Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesAmmonia Synthesis and Nitrogen Reduction
P. Pellegrino、B. Garrido、Cristina García-Beltrán 等 10 位作者2005-03-24Journal of Applied Physics
We report on the study and modeling of the structural and optical properties of rib-loaded waveguides working in the 600–900-nm spectral range. A Si nanocrystal (Si-nc) rich SiO2 layer with nominal Si excess ranging from 10% to 20% was produced by quadrupole ion implantation of Si into thermal SiO2 formed on a silicon…
Photonic and Optical DevicesPhotonic Crystals and ApplicationsSilicon Nanostructures and Photoluminescence
M.C. Ridgway、G. de M. Azevedo、R. G. Elliman 等 10 位作者2005-03-24Physical Review B
Extended x-ray absorption fine structure (EXAFS) measurements have been used to characterize the ion-irradiation-induced crystalline-to-amorphous phase transformation in Ge nanocrystals. The atomic-scale structure of Ge nanocrystals in a silica matrix is first shown to deviate from that of bulk crystalline material wi…
Glass properties and applicationsSilicon Nanostructures and PhotoluminescenceIon-surface interactions and analysis
Th. Braun、W. Kleemann、J. Dec 等 4 位作者2005-03-24Physical Review Letters
Creep and relaxation of domain walls under ac electric fields are observed in an ideal model system, periodically poled ${\mathrm{KTiOPO}}_{4}$, to occur in different regimes, which are separated by dynamic phase transitions at frequencies ${f}_{m}(T)={f}_{m0}\mathrm{exp}(\ensuremath{-}\ensuremath{\Delta}E/{k}_{B}T)$…
Ferroelectric and Piezoelectric MaterialsGlass properties and applicationsPhotorefractive and Nonlinear Optics
I. Margiolaki、Jonathan P. Wright、Andrew N. Fitch 等 5 位作者2005-03-24Acta Crystallographica Section D Biological Crystallography
The structure of turkey egg-white lysozyme (TEWL) has been refined from high-resolution X-ray powder diffraction data. The sample was rapidly obtained as a polycrystalline precipitate at high protein concentration using 0.5 M NaCl solvent pH 6 and was deposited in the PDB with code 1xft. The diffraction data were coll…
Crystallography and molecular interactionsEnzyme Structure and FunctionX-ray Diffraction in Crystallography
A. S. Luyt、Mpitloane J. Hato2005-03-24Journal of Applied Polymer Science
Abstract The thermal and mechanical properties of uncrosslinked three‐component blends of linear low‐density polyethylene (LLDPE), low‐density polyethylene (LDPE), and a hard, paraffinic Fischer–Tropsch wax were investigated. A decrease in the total crystallinity with an increase in both LDPE and wax contents was obse…
Polymer crystallization and propertiesNatural Fiber Reinforced CompositesPolymer Foaming and Composites
Erik Machado、G. M. Buendía、Per Arne Rikvold2005-03-24Physical Review E
We study by kinetic Monte Carlo simulations the dynamic behavior of a Ziff-Gulari-Barshad model with CO desorption for the reaction CO + O-->CO(2) on a catalytic surface. Finite-size scaling analysis of the fluctuations and the fourth-order order-parameter cumulant show that below a critical CO desorption rate, the mo…
Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics
Silvio Aime、Eliana Gianolio、Dario Livio Longo 等 6 位作者2005-03-24ChemBioChem
Sticking out. This work is aimed at obtaining new insights into the design of novel Gd chelates that form high-affinity adducts with HSA. Two new GdIII complexes that differ in the size of the hydrophobic moiety responsible for the interaction with the protein have been synthesised. It was shown that the two complexes…
Advanced MRI Techniques and ApplicationsLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications
Meng He、Xiaolong Chen、Hiroki Okudera 等 4 位作者2005-03-24Chemistry of Materials
Up to about 60% K + in K 2 Al 2 B 2 O 7 (KABO), a well-known nonlinear optical material, can be substituted by Na + with the structure type being retained. AlO 4 tetrahedra and BO 3 triangles in the Na-substituted compound tilt to adjust to the local distribution of alkali-metal atoms, which explains the large range o…
High-pressure geophysics and materialsCrystal Structures and PropertiesX-ray Diffraction in Crystallography
Anthony M. Granville、Stephen G. Boyes、Bülent Akgün 等 5 位作者2005-03-24Macromolecules
The surface rearrangement of polymer brushes composed of diblock copolymer chains with fluoropolymer blocks has been shown to be readily induced using thermal annealing. Changes in surface composition accomplished by the rearrangement were demonstrated by tensiometry and atomic force microscopy (AFM). Most of the rese…
Polymer Surface Interaction StudiesForce Microscopy Techniques and ApplicationsAdhesion, Friction, and Surface Interactions
Chaocan Zhang、Yanjun Chen2005-03-24Polymer International
Abstract Fluorinated polyacrylate latices with core–shell structure were prepared by semi‐continuous emulsion polymerization, using a mixed emulsifier system composed of a reactive emulsifier and a small amount of anionic emulsifier. The conversion and chemical components of the final latices were studied by gravimetr…
Surface Modification and SuperhydrophobicityMicroplastics and Plastic PollutionSilicone and Siloxane Chemistry
Alimet Sema Özen、Vi̇ktorya Avi̇yente、Gökçe Tezcanli-Güyer 等 4 位作者2005-03-24The Journal of Physical Chemistry A
Sonochemical bleaching of monoazo dyes C.I. Acid Orange 7 and C.I Acid Orange 8, which exist in their hydrazone forms in dye solutions, was investigated by irradiating 40 microM dye solutions using a 300 kHz emitter. It was found that the rate of bleaching was first-order with respect to the maximum absorption of the…
Advanced oxidation water treatmentUltrasound and Cavitation PhenomenaFree Radicals and Antioxidants
Anubhav Saxena、Michiya Fujiki、Roopali Rai 等 4 位作者2005-03-24Chemistry of Materials
The present paper reports a new type of polymer-based chemosensor made of stiff fluoroalkylated polysilane, poly(3,3,3-trifluoropropylmethylsilane) ( 1 ), which showed a remarkable sensitivity for explosive nitroaromatic compounds (NACs), such as 2,4,6-trinitrophenol (picric acid), 1,3,5-trinitrobenzene (TNB), 2,4-din…
Synthesis and characterization of novel inorganic/organometallic compoundsLuminescence and Fluorescent MaterialsOrganoboron and organosilicon chemistry
Yiming Li、Shu Peng、David J. Mann 等 7 位作者2005-03-24The Journal of Physical Chemistry B
A correlation is observed between the diameters (d) of single-walled carbon nanotubes and the percentages of metallic and semiconducting tubes synthesized at 600 degrees C by plasma-assisted chemical vapor deposition. Small tubes (d approximately 1.1 nm) show semiconductor percentages that are much higher than expecte…
Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications
Cécile Goubault、Fernando Leal‐Calderon、Jean‐Louis Viovy 等 4 位作者2005-03-24Langmuir
In this letter, we investigate the mechanism of formation of a recently discovered new type of colloid, irreversible flexible chains of magnetic particles. The chain formation mechanism is based on magnetically induced bridging by adsorbed polymers, and we investigate here the associated phase diagrams, considering bo…
Proteins in Food SystemsPickering emulsions and particle stabilizationCharacterization and Applications of Magnetic Nanoparticles
Jay Painter、E.A. Merritt2005-03-24Acta Crystallographica Section D Biological Crystallography
TLS (translation/libration/screw) models describe rigid-body vibrational motions of arbitrary objects. A single-group TLS model can be used to approximate the vibration of an entire protein molecule within a crystal lattice. More complex TLS models are broadly applicable to describing inter-domain and other internal v…
Protein Structure and DynamicsRNA and protein synthesis mechanismsEnzyme Structure and Function
Hanqing Jiang、Yuli Huang、Keh‐Chih Hwang2005-03-24Journal of Engineering Materials and Technology
There are significant efforts to develop continuum theories based on atomistic models. These atomistic-based continuum theories are limited to zero temperature (T=0K). We have developed a finite-temperature continuum theory based on interatomic potentials. The effect of finite temperature is accounted for via the loca…
Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research
Evan Rumberger、Sonali J. Shah、Christopher C. Beedle 等 6 位作者2005-03-24Inorganic Chemistry
The reaction of [Mn(12)O(12)(O(2)CCH(3))(16)(H(2)O)(4)].4H(2)O.2CH(3)COOH with n-methyldiethanol amine (H(2)mdea), n-ethyldiethanol amine (H(2)edea), or n-butyldiethanol amine (H(2)bdea) leads to the formation of wheel-shaped Mn(III)(6)Mn(II)(6) complexes with the general formula [Mn(12)(R)(O(2)CCH(3))(14)] (1, R = md…
Magnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications
Yongqi Liang、Lin Zhai、Xinsheng Zhao 等 4 位作者2005-03-24The Journal of Physical Chemistry B
Alloyed ternary CdS(1-x)Se(x) nanowires were synthesized by template-assisted electrodeposition, in which the ratio of S to Se in the nanowires was controlled by adjusting the relative amounts of the starting materials. Higher-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) showed that…
Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNanowire Synthesis and Applications
Swapan K. Mandal、Nicolas Lequeux、Benjamin Rotenberg 等 7 位作者2005-03-24Langmuir
Oils containing both fluorescent semiconductor and magnetic oxide nanoparticles are used to produce oil in water emulsions. This technique produces oil droplets with homogeneous fluorescence and high magnetic nanoparticle concentrations. The optical properties of the oil droplets are studied as a function of the dropl…
Quantum Dots Synthesis And PropertiesIron oxide chemistry and applicationsPickering emulsions and particle stabilization