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91.
Diana Dhler Philipp Michael Steve Neumann Wolfgang H. Binder 《Chemie in Unserer Zeit》2016,50(2):90-101
Even though the field of self‐healing is rarely known so far – self healing materials are already present at our market. Nevertheless just due to modern scientific concepts we are now able to understand the basic mechanistic steps in a more detailed way. Further progress on this field will open access to materials with a wide range of adjustable properties. Therefore, applications of such self healing materials are not limited – assuming the market‐price is competitive and the elongated lifetime delivers an appropriate advantage. Already demonstrated for concrete and clear coatings for cars, the investigations done so far have generated materials with improved properties and prolonged durability. 相似文献
92.
Kuleshova J Koukharenko E Li X Frety N Nandhakumar IS Tudor J Beeby SP White NM 《Langmuir : the ACS journal of surfaces and colloids》2010,26(22):16980-16985
High-quality films of bismuth antimony telluride were synthesized by electrodeposition from nitric acid electroplating baths. The influence of a surfactant, sodium ligninsulfonate, on the structure, morphology, stoichiometry, and homogeneity of the deposited films has been investigated. It was found that addition of this particular surfactant significantly improved the microstructural properties as well as homogeneity of the films with a significant improvement in the thermoelectric properties over those deposited in the absence of surfactant. A detailed microprobe analysis of the deposited films yielded a stoichiometric composition of Bi(0.35)Sb(1.33)Te(3) for the films electrodeposited in the absence of surfactant and a stoichiometry of Bi(0.32)Sb(1.33)Te(3) for films deposited in the presence of surfactant. 相似文献
93.
Hooper J Sauer EL Arns S Woo TK Barriault L 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(47):14124-14130
We report herein a detailed investigation into the reaction mechanism for a sequential oxy-Cope/ene reaction under anionic conditions. With DFT calculations and ab initio molecular dynamics simulations, the observed diastereoselectivity is shown to be the result of an isomerization of the enolate olefin, which would evidently not occur under neutral conditions. The potential energy surface was thoroughly mapped out for the reaction pathways and the proposed mechanism confirmed the different product distributions observed under neutral and anionic oxy-Cope conditions. In addition, other possible pathways are shown to be higher in energy and experimental evidence is given that supports the olefin-isomerization pathway. 相似文献
94.
Ab initio and density functional theory calculations are used to monitor the process wherein a OH· radical is allowed to approach the various CH groups of a Leu dipeptide, with its CH(2)CH(CH(3))(2) side chain. After forming an encounter complex, the OH· abstracts the pertinent H atom, and the resulting HOH is then dissociated from the complex. The energy barriers for H· abstraction from the β, γ, and δ CH groups are all less than 8 kcal/mol, but a significantly higher barrier is computed for the C(α)H removal. This higher barrier is the result of the strong H-bonds formed in the encounter complex between the OH· and the NH and C═O groups of the peptide units that surround the C(α) atom. This low-energy complex represents a kinetic trap which raises the energy needed to surmount the ensuing H· transfer barrier. 相似文献
95.
We compare the response function of an Unruh-DeWitt detector for different space-times and different vacua and show that there is a detailed violation of the equivalence principle. In particular comparing the response of an accelerating detector to a detector at rest in a Schwarzschild space-time we find that both detectors register thermal radiation, but for a given, equivalent acceleration the fixed detector in the Schwarzschild space-time measures a higher temperature. This allows one to locally distinguish the two cases. As one approaches the horizon the two temperatures have the same limit so that the equivalence principle is restored at the horizon. 相似文献
96.
Accurate method for measuring the thermal coefficient of group birefringence of polarization-maintaining fibers 总被引:1,自引:0,他引:1
We present a method to accurately measure the group birefringence variation with temperature in high-birefringence polarization-maintaining (PM) fibers using a distributed polarization analyzer. By analyzing polarization cross-talk peaks purposely induced at both ends of a PM fiber, the temperature coefficient of group birefringence can be accurately obtained. We confirm the theoretical prediction that the group birefringence of PANDA and TIGER PM fibers decrease linearly with temperature from -40 °C to 80 °C, and find that the temperature coefficients are -5.93 × 10(-7) °C(-1) and -5.29 × 10(-7) °C(-1) for two types of PANDA fibers, and -5.36 × 10(-7) °C(-1) for a TIGER fiber. 相似文献
97.
Heterodyne near-field scanning optical microscopy (H-NSOM) has proven useful as a tool for characterization of both amplitude and phase of on-chip photonic devices in air, but it has previously been unable to characterize devices with a dielectric overcladding, which is commonly used in practice for such devices. Here we demonstrate H-NSOM of a silicon waveguide with a liquid cladding emulating the solid dielectric. This technique allows characterization of practical devices with realistic refractive index profiles. Fourier analysis is used to estimate the effective refractive index of the mode from the measured data, showing an index shift of 0.08 from air to water cladding, which is seen to correspond well to simulations. 相似文献
98.
In this paper we study the properties of the homology of different geometric filtered complexes (such as Vietoris–Rips, ?ech and witness complexes) built on top of totally bounded metric spaces. Using recent developments in the theory of topological persistence, we provide simple and natural proofs of the stability of the persistent homology of such complexes with respect to the Gromov–Hausdorff distance. We also exhibit a few noteworthy properties of the homology of the Rips and ?ech complexes built on top of compact spaces. 相似文献
99.
100.
Bingham RJ Findlay JB Hsieh SY Kalverda AP Kjellberg A Perazzolo C Phillips SE Seshadri K Trinh CH Turnbull WB Bodenhausen G Homans SW 《Journal of the American Chemical Society》2004,126(6):1675-1681
In the present study we examine the thermodynamics of binding of two related pyrazine-derived ligands to the major urinary protein, MUP-I, using a combination of isothermal titration calorimetry (ITC), X-ray crystallography, and NMR backbone (15)N and methyl side-chain (2)H relaxation measurements. Global thermodynamics data derived from ITC indicate that binding is driven by favorable enthalpic contributions, rather than the classical entropy-driven hydrophobic effect. Unfavorable entropic contributions from the protein backbone and side-chain residues in the vicinity of the binding pocket are partially offset by favorable entropic contributions at adjacent positions, suggesting a "conformational relay" mechanism whereby increased rigidity of residues on ligand binding are accompanied by increased conformational freedom of side chains in adjacent positions. The principal driving force governing ligand affinity and specificity can be attributed to solvent-driven enthalpic effects from desolvation of the protein binding pocket. 相似文献