Effect of external Gaussian random field on phonon spectrum of linear atomic chains

We present the theoretical study of the effect of external random field characterized by a Gaussian probability distribution function on the continuous phonon spectrum of one-dimensional (1D) chain, based on the Jacobian matrix method. The cumulative effect of the random field and simple isotopic defect is studied analytically and numerically. The Gaussian random field removes a square-root divergence appearing in the phonon spectrum of ideal 1D chain. The impurity phonon DOS shows strong dependence on the variance and the mean of the random field and exhibits very different behavior from the non-random case: the continuous spectrum is expanded and the δ-peak, describing discrete impurity vibrations in the non-random chain with the impurity, falls into a continuous zone.     

Global Solution of Optimization Problems with Parameter-Embedded Linear Dynamic Systems

This paper develops a theory for the global solution of nonconvex optimization problems with parameter-embedded linear dynamic systems. A quite general problem formulation is introduced and a solution is shown to exists. A convexity theory for integrals is then developed to construct convex relaxations for utilization in a branch-and-bound framework to calculate a global minimum. Interval analysis is employed to generate bounds on the state variables implied by the bounds on the embedded parameters. These bounds, along with basic integration theory, are used to prove convergence of the branch-and-bound algorithm to the global minimum of the optimization problem. The implementation of the algorithm is then considered and several numerical case studies are examined thoroughly     

Association Behavior of 4-Acylpyrazolone Derivative and Tertiary Amine of High Molecular Weight in Antagonistic Synergistic Extraction of Palladium

To find an effective extraction and removal method for palladium(II), which is one of the main fission products from an acidic nuclear spent fuel solution, the extraction behavior of palladium(II) from a nitric acid medium by an acidic chelating extractant, 1-phenyl-3-methyl-4-trifluoroacetylpyrazolone-5-one (HPMTP) and a tertiary amine of high molecular weight, tri-n-octylamine (TOA), has been studied by spectrophotometry. A noticeable antagonistic extraction effect was observed in the extraction system under the given conditions. To understand this phenomenon, a preliminary investigation was performed to explain the mechanism of this reaction. According to the theory of corresponding solutions (TCS), the association reaction between HPMTP and TOA is proposed in the organic phase. An associated species, HPMTP·TOA, formed through hydrogen bonding in a chloroform medium might be the main reason why an antagonistic extraction effect occurred. The association constant between HPMTP and TOA was calculated to be 2.86±0.05.     

Probing structural relaxation in complex fluids by critical fluctuations

Complex fluids, such as polymer solutions and blends, colloids, and gels, are of growing interest in fundamental and applied soft-condensed-matter science. A common feature of all such systems is the presence of a mesoscopic structural length scale intermediate between the atomic and macroscopic scales. This mesoscopic structure of complex fluids is often fragile and sensitive to external perturbations. Complex fluids are frequently viscoelastic (showing a combination of viscous and elastic behavior), with their dynamic response depending on the time and length scales. Recently, noninvasive methods to infer the rheological response of complex fluids have gained popularity through the technique of microrheology, where the diffusion of probe spheres in a viscoelastic fluid is monitored with the aid of light scattering or microscopy. Here, we propose an alternative to traditional microrheology that does not require doping of probe particles in the fluid (which can sometimes drastically alter the molecular environment). Instead, our proposed method makes use of the phenomenon of “avoided crossing” between modes associated with the structural relaxation and critical fluctuations that are spontaneously generated in the system.     

Synthesis, Crystal Structure, Fluorescent and Thermal Properties of Sodium Tridecafluorodizirconate Na_5Zr_2F_(13) Compound

1 INTRODUCTION Considerable research effort on the heavy metal fluoride glasses like barium, zirconium fluoride and a series of rare-earth fluorozirconate compounds du- ring the last two decades was initiated by the broad optical transmission window of these glasses and thereby the potential for ultralow-loss optical fi- bers[1~10]. The fluorozirconate of alkali metals was first reported in 1938[11], and most of the sodium and potassium fluorozirconates were reported amongthe 1940s and 19…     

Electrochemical oxidation of tetramethoxy precursor as a key step for the synthesis of coenzyme Q10

The feasibility of electrosynthesis of coenzyme Q₁₀ (1) by electrooxidation of tetramethoxy precursor (2) has been investigated at carbon, Pt and BDD anodes in a divided cell. The process strongly depends on the applied potential, anode material and water content of the solvent. At carbon anodes in CH₃CN/CH₂Cl₂ + 0.15 M Bu₄NBF₄ at proper operative conditions high faradic efficiency (>60%) and excellent selectivity (95–97%) of the target product were obtained.     

New Heat-Resistant Polyimidates Derived from Bisphenols and Mono- and Dicarboxylic Acid Imidoyl Chlorides

New polyimidates were prepared from bisphenols and mono- and dicarboxylic acid imidoyl chlorides. The structures of the polymers were determined, and their physicochemical, chemical, and thermal properties were studied. The possibility of preparing film and compression materials with good mechanical characteristics from these polymers was examined.     

Hydrolysis of palm kernel olein in AOT-isooctane-water reversed micelles

Rhizopus arrhizus lipase (EC 3.1.1.3; triacylglycerol hydrolase) was used in this study to investigate the hydrolysis of palm kernel olein in AOT-isooctane-water reversed micelle system at W_o = 13, pH = 7, and T = 30?C. The hydrolytic reaction obeys Michaelis-Menten kinetics for substrate concentrations in the range (0.175 and 0.877M). The apparentK _m and V_max for the substrate were 0.397M (equivalent to 9.06% w/v) and 5523 U/mg protein, respectively. Product inhibition with a dissociation constant of the enzyme-product complex,K _I = 9.74 mM, was confirmed. Experimental results from the change of product concentrations with respect to time correlated sufficiently with those predicted theoretically from the rate equation for a reaction time up to 100 min. However, the discrepancy between the observed results and the predicted ones would increase with reaction time. Possible reasons for this deviation were discussed.     

Specific identification of Bacillus anthracis strains

Accurate identification of human pathogens is the initial vital step in treating the civilian terrorism victims and military personnel afflicted in biological threat situations. We have applied a powerful multi-dimensional protein identification technology (MudPIT) along with newly generated software termed Profiler to identify the sequences of specific proteins observed for few strains of Bacillus anthracis, a human pathogen. Software termed Profiler was created to initially screen the MudPIT data of B. anthracis strains and establish the observed proteins specific for its strains. A database was also generated using Profiler containing marker proteins of B. anthracis and its strains, which in turn could be used for detecting the organism and its corresponding strains in samples. Analysis of the unknowns by our methodology, combining MudPIT and Profiler, led to the accurate identification of the anthracis strains present in samples. Thus, a new approach for the identification of B. anthracis strains in unknown samples, based on the molecular mass and sequences of marker proteins, has been ascertained.     

The enhancement of photoluminescence of n-type porous silicon by Hall-effect assistance during electrochemical anodization

In this study, n-type porous silicon (n-PS) films with high-aspect-ratio Si-tips are formed with the assistance of Hall-effect during the electrochemical anodization. Lorentz force sweeps down the majority carriers (electrons) in n-type Si to enhance the anodization etching. Surface layers are inverted from n-type to p-type, so sufficient holes can continuously appear on the surface to participate in chemical reaction during the etching process. Illumination is not necessary in this process, so the problem of illumination-depth limitation is solved. The etching current, morphology, and photoluminescence of the n-PS prepared in this way are investigated. Strong visible photoluminescence emissions at room temperature are demonstrated on n-PS.