Electric-polarization and structure of molecular complexes of the metallic halides of group II of the periodic table

Dielectric measurements have been made on a number of molecular complexes of beryllium, zinc, cadmium and mercuric halides. The polarizations observed have been interpreted in terms of a tetrahedral configuration for the undissociated beryllium, zinc and cadmium halide complexes. In other cases the observed polarization has been shown to be due to the dissociation of the complex in solution.

Exact traveling- wave solution for model geophysical systems

Exact traveling-wave solutions of time-dependent nonlinear inhomogeneous PDEs, describing several model systems in geophysical fluid dynamics, are found. The reduced nonlinear ODEs are treated as systems of linear algebraic equations in the derivatives. A variety of solutions are found, depending on the rank of the algebraic systems. The geophysical systems include acoustic gravity waves, inertial waves, and Rossby waves. The solutions describe waves which are, in general, either periodic or monoclinic. The present approach is compared with the earlier one due to Grundland (1974) for finding exact solutions of inhomogeneous systems of nonlinear PDEs.

Spectral approach for the soliton and periodic solutions of the nonlinear wave equation

A spectral method that obtains the soliton and periodic solutions to the nonlinear wave equation is presented. The results show that the nonlinear group velocity is a function of the frequency shift as well as of the soliton power. When the frequency shift is a function of time, a solution in terms of the Jacobian elliptic function is obtained. This solution is periodic in nature, and, to generate such an optical pulse train, one must simultaneously amplitude- and frequency-modulate the optical carrier. Finally, we extend the method to include the effect of self-steepening.

Hydration dynamics of protein molecules in aqueous solution: Unity among diversity

Dielectric dispersion and NMRD experiments have revealed that a significant fraction of water molecules in the hydration shell of various proteins do not exhibit any slowing down of dynamics. This is usually attributed to the presence of the hydrophobic residues (HBR) on the surface, although HBRs alone cannot account for the large amplitude of the fast component. Solvation dynamics experiments and also computer simulation studies, on the other hand, repeatedly observed the presence of a non-negligible slow component. Here we show, by considering three well-known proteins (lysozyme, myoglobin and adelynate kinase), that the fast component arises partly from the response of those water molecules that are hydrogen bonded with the backbone oxygen (BBO) atoms. These are structurally and energetically less stable than those with the side chain oxygen (SCO) atoms. In addition, the electrostatic interaction energy distribution (EIED) of individual water molecules (hydrogen bonded to SCO) with side chain oxygen atoms shows a surprising two peak character with the lower energy peak almost coincident with the energy distribution of water hydrogen bonded to backbone oxygen atoms (BBO). This two peak contribution appears to be quite general as we find it for lysozyme, myoglobin and adenylate kinase (ADK). The sharp peak of EIED at small energy (at less than 2 k(B)T) for the BBO atoms, together with the first peak of EIED of SCO and the HBRs on the protein surface, explain why a large fraction (similar to 80%) of water in the protein hydration layer remains almost as mobile as bulk water Significant slowness arises only from the hydrogen bonds that populate the second peak of EIED at larger energy (at about 4 k(B)T). Thus, if we consider hydrogen bond interaction alone, only 15-20% of water molecules in the protein hydration layer can exhibit slow dynamics, resulting in an average relaxation time of about 5-10 ps. The latter estimate assumes a time constant of 20-100 ps for the slow component. Interestingly, relaxation of water molecules hydrogen bonded to back bone oxygen exhibit an initial component faster than the bulk, suggesting that hydrogen bonding of these water molecules remains frustrated. This explanation of the heterogeneous and non-exponential dynamics of water in the hydration layer is quantitatively consistent with all the available experimental results, and provides unification among diverse features.

A napthelene-pyrazol conjugate: Al(III) ion-selective blue shifting chemosensor applicable as biomarker in aqueous solution

A newly synthesized and crystalographically characterized napthelene-pyrazol conjugate, 1-(5-phenyl-1H-pyrazole-3-ylimino)-methyl]-naphthalen-2-ol (HL) behaves as an Al(III) ion-selective chemosensor through internal charge transfer (ICT)-chelation-enhanced fluorescence (CHEF) processes in 100 mM HEPES buffer (water-DMSO 5 : 1, v/v) at biological pH with almost no interference of other competitive ions. This mechanism is readily studied from electronic, fluorimetric and H-1 NMR titration. The probe (HL) behaved as a highly selective fluorescent sensor for Al(III) ions as low as 31.78 nM within a very short response time (15-20 s). The sensor (HL), which has no cytotoxicity, is also efficient in detecting the distribution of Al(III) ions in HeLa cells via image development under fluorescence microscope.

Studying Aggregate in Lysozyme Solution by Atomic Force Microscope

The aggregates in lysozyme solution with different NaCl concentration were investigated by Atomic Force Microscope (AFM). The AFM images show that there exist lysozyme monomers, n-mers and clusters in lysozyme solution when the conditions are not suitable for crystal growth. In favorable conditions for crystal growth, the lysozyme clusters disappear and almost only monomers exist in solution.

A rigorous analytical method for doubly periodic cylindrical inclusions under longitudinal shear and its application

An infinite elastic solid containing a doubly periodic parallelogrammic array of cylindrical inclusions under longitudinal shear is studied. A rigorous and effective analytical method for exact solution is developed by using Eshelby's equivalent inclusion concept integrated with the new results from the doubly quasi-periodic Riemann boundary value problems. Numerical results show the dependence of the stress concentrations in such heterogeneous materials on the periodic microstructure parameters. The overall longitudinal shear modulus of composites with periodic distributed fibers is also studied. Several problems of practical importance, such as those of doubly periodic holes or rigid inclusions, singly periodic inclusions and single inclusion, are solved or resolved as special cases. The present method can provide benchmark results for other numerical and approximate methods. (C) 2003 Elsevier Ltd. All rights reserved.

Crack propagation in structures subjected to periodic excitation

In the present paper, a simple mechanical model is developed to predict the dynamic response of a cracked structure subjected to periodic excitation, which has been used to identify the physical mechanisms in leading the growth or arrest of cracking. The structure under consideration consists of a beam with a crack along the axis, and thus, the crack may open in Mode I and in the axial direction propagate when the beam vibrates. In this paper, the system is modeled as a cantilever beam lying on a partial elastic foundation, where the portion of the beam on the foundation represents the intact portion of the beam. Modal analysis is employed to obtain a closed form solution for the structural response. Crack propagation is studied by allowing the elastic foundation to shorten (mimicking crack growth) if a displacement criterion, based on the material toughness, is met. As the crack propagates, the structural model is updated using the new foundation length and the response continues. From this work, two mechanisms for crack arrest are identified. It is also shown that the crack propagation is strongly influenced by the transient response of the structure.

A new solution for the roommate problem: The Q-stable matchings

The aim of this paper is to propose a new solution for the roommate problem with strict preferences. We introduce the solution of maximum irreversibility and consider almost stable matchings (Abraham et al. [2])and maximum stable matchings (Ta [30] [32]). We find that almost stable matchings are incompatible with the other two solutions. Hence, to solve the roommate problem we propose matchings that lie at the intersection of the maximum irreversible matchings and maximum stable matchings, which are called Q-stable matchings. These matchings are core consistent and we offer an effi cient algorithm for computing one of them. The outcome of the algorithm belongs to an absorbing set.

Wave interactions in periodic structures and periodic dielectric waveguides

This work is concerned with a general analysis of wave interactions in periodic structures and particularly periodic thin film dielectric waveguides.

The electromagnetic wave propagation in an asymmetric dielectric waveguide with a periodically perturbed surface is analyzed in terms of a Floquet mode solution. First order approximate analytical expressions for the space harmonics are obtained. The solution is used to analyze various applications: (1) phase matched second harmonic generation in periodically perturbed optical waveguides; (2) grating couplers and thin film filters; (3) Bragg reflection devices; (4) the calculation of the traveling wave interaction impedance for solid state and vacuum tube optical traveling wave amplifiers which utilize periodic dielectric waveguides. Some of these applications are of interest in the field of integrated optics.

A special emphasis is put on the analysis of traveling wave interaction between electrons and electromagnetic waves in various operation regimes. Interactions with a finite temperature electron beam at the collision-dominated, collisionless, and quantum regimes are analyzed in detail assuming a one-dimensional model and longitudinal coupling.

The analysis is used to examine the possibility of solid state traveling wave devices (amplifiers, modulators), and some monolithic structures of these devices are suggested, designed to operate at the submillimeter-far infrared frequency regime. The estimates of attainable traveling wave interaction gain are quite low (on the order of a few inverse centimeters). However, the possibility of attaining net gain with different materials, structures and operation condition is not ruled out.

The developed model is used to discuss the possibility and the theoretical limitations of high frequency (optical) operation of vacuum electron beam tube; and the relation to other electron-electromagnetic wave interaction effects (Smith-Purcell and Cerenkov radiation and the free electron laser) are pointed out. Finally, the case where the periodic structure is the natural crystal lattice is briefly discussed. The longitudinal component of optical space harmonics in the crystal is calculated and found to be of the order of magnitude of the macroscopic wave, and some comments are made on the possibility of coherent bremsstrahlung and distributed feedback lasers in single crystals.

On the use of combined compact scheme for numerical solution of the two-layer oceanic shallow water equations

Many types of oceanic physical phenomena have a wide range in both space and time. In general, simplified models, such as shallow water model, are used to describe these oceanic motions. The shallow water equations are widely applied in various oceanic and atmospheric extents. By using the two-layer shallow water equations, the stratification effects can be considered too. In this research, the sixth-order combined compact method is investigated and numerically implemented as a high-order method to solve the two-layer shallow water equations. The second-order centered, fourth-order compact and sixth-order super compact finite difference methods are also used to spatial differencing of the equations. The first part of the present work is devoted to accuracy assessment of the sixth-order super compact finite difference method (SCFDM) and the sixth-order combined compact finite difference method (CCFDM) for spatial differencing of the linearized two-layer shallow water equations on the Arakawa's A-E and Randall's Z numerical grids. Two general discrete dispersion relations on different numerical grids, for inertia-gravity and Rossby waves, are derived. These general relations can be used for evaluation of the performance of any desired numerical scheme. For both inertia-gravity and Rossby waves, minimum error generally occurs on Z grid using either the sixth-order SCFDM or CCFDM methods. For the Randall's Z grid, the sixth-order CCFDM exhibits a substantial improvement , for the frequency of the barotropic and baroclinic modes of the linear inertia-gravity waves of the two layer shallow water model, over the sixth-order SCFDM. For the Rossby waves, the sixth-order SCFDM shows improvement, for the barotropic and baroclinic modes, over the sixth-order CCFDM method except on Arakawa's C grid. In the second part of the present work, the sixth-order CCFDM method is used to solve the one-layer and two-layer shallow water equations in their nonlinear form. In one-layer model with periodic boundaries, the performance of the methods for mass conservation is compared. The results show high accuracy of the sixth-order CCFDM method to simulate a complex flow field. Furthermore, to evaluate the performance of the method in a non-periodic domain the sixth-order CCFDM is applied to spatial differencing of vorticity-divergence-mass representation of one-layer shallow water equations to solve a wind-driven current problem with no-slip boundary conditions. The results show good agreement with published works. Finally, the performance of different schemes for spatial differencing of two-layer shallow water equations on Z grid with periodic boundaries is investigated. Results illustrate the high accuracy of combined compact method.

Some remarks about periodic feedback stabilization

Periodic feedback stabilization is a very natural solution to overcome the topological obstructions which may occur when one tries to asymptotically (locally) stabilize a (locally) controllable nonlinear system around an equilibrium point. The object of this paper is to give a simple geometric interpretation of this fact, to show that one obtains a weakened form of those obstructions when periodic feedback is used, and to illustrate the success of periodic feedback stabilization on a representative system which contains a drift.

The Category-Theoretic Solution of Recursive Domain Equations

Recursive specifications of domains plays a crucial role in denotational semantics as developed by Scott and Strachey and their followers. The purpose of the present paper is to set up a categorical framework in which the known techniques for solving these equations find a natural place. The idea is to follow the well-known analogy between partial orders and categories, generalizing from least fixed-points of continuous functions over cpos to initial ones of continuous functors over $\omega $-categories. To apply these general ideas we introduce Wand's ${\bf O}$-categories where the morphism-sets have a partial order structure and which include almost all the categories occurring in semantics. The idea is to find solutions in a derived category of embeddings and we give order-theoretic conditions which are easy to verify and which imply the needed categorical ones. The main tool is a very general form of the limit-colimit coincidence remarked by Scott. In the concluding section we outline how compatibility considerations are to be included in the framework. A future paper will show how Scott's universal domain method can be included too.

Study of controllable aggregation morphology of ABA amphiphilic triblock copolymer in dilute solution by changing the solvent property

We have studied, both experimentally and theoretically, the aggregation morphology of the ABA amphiphilic triblock copolymer in dilute solution by changing the solvent property. Experimental results showed that the micellar morphology changed from spheres to rods and then to vesicles by changing the common solvent from N-N-dimethylformamide (DMF) to dioxane and then to tetrahydrofuran (THF). These controllable aggregates were also obtained by Monte Carlo simulation. The simulative results showed that the solvent property is a key factor that determines the copolymer aggregation morphology. The morphology changed from spheres to rods and then to vesicles by increasing the solvent solubility, corresponding to the change of stretched of the copolymer chains in the micellar cores. This result is in good agreement with the experimental one. Moreover, the simulative results revealed that the end-to-end distant of the ABA triblock copolymer in the vesicle was larger than that in the spheres and rods, indicating that the copolymer chains were more stretched in vesicles than in the spheres and rods. Furthermore, we gave the distribution of the fraction of the chain number with the end-to-end distance. The results indicated that the amount of folded chains is almost the same as that of stretched chains in the vesicle. Although most chains were folded, stretched chains could be found in the rod and sphere micelles.

Miscibility and crystallization behavior of solution-blended PEEK/PI blends

Miscibility and crystallization behavior of solution-blended poly(ether ether ketone)/polyimide (PEEK/PI) blends were investigated by using DSC, optical microscopy and SAXS methods. Two kinds of PIs, YS-30 and PEI-E, which consist of the same diamine but different dianhydrides, were used in this work. The experimental results show that blends of PEEK/YS-30 are miscible over the entire composition range, as all the blends of different compositions exhibit a single glass transition temperature. The crystallization of PEEK was hindered by YS-30 in PEEK/YS-30 blends, of which the dominant morphology is interlamellar. On the other hand, blends of PEEK/PEI-E are immiscible, and the effect of PEI-E on the crystallization behavior of PEEK is weak. The crystallinity of PEEK in the isothermally crystallized PEEK/YS-30 blend specimens decreases with the increase in PI content. But the crystallinity of PEEK in the annealed samples almost keeps unchanged and reaches its maximum value, which is more than 50%. The spherulitic texture of the blends depends on both the blend composition and the molecular structure of the PIs used. The more PI added, the more imperfect the crystalline structure of PEEK. (C) 1998 John Wiley & Sons, Inc.