Stochastic PAC models for vacancy motions with trapping and detrapping

In order to explain PAC data for tetragonal zirconia at temperatures between 900 and 1300oC, we have developed a four-state stochastic model. The model simulates vacancies which trap and detrap at a PAC probe nucleus. While trapped, the vacancies hop around the probe in equivalent sites. The four states in this Winkler–Gerdau stochastic theory are three trapped states with equivalent electric field gradients (EFGs) of different orientations and a detrapped state with a weaker EFG whose axis of symmetry is oriented along the diagonal between the three trapped EFGs. There are three hopping rates in this model: w, the rate a trapped vacancy hops around the probe, w_D, the detrapping rate, and w_t, the trapping rate. We report results of calculations for values of these hopping rates implied by our tetragonal zirconia data, and we report heuristic fitting functions which summarize the computer results and can be used to fit data efficiently for a wide range of parameters. This revised version was published online in August 2006 with corrections to the Cover Date.     

Informational analysis of seismic sequences by applying the Fisher Information Measure and the Shannon entropy: An application to the 2004–2010 seismicity of Aswan area (Egypt)

The interevent-time (IET) and interevent-distance (IED) series of seismic events occurred at Aswan area (Egypt) from 2004 to 2010 were investigated by means of the Fisher Information Measure and the Shannon entropy. The analysis was performed varying the depth and the magnitude thresholds. The results point out to an increase of level of organization and order with the decrease of magnitude threshold and the increase of depth threshold for the IET series, while the IED series are characterized by a level of uncertainty approximately constant with the threshold magnitude. The complexity measure, calculated as the product of the Fisher Information Measure and the Shannon entropy power, presents very similar pattern for both the types of seismic series, indicating an increasing complexity with the decrease of the threshold magnitude and the increase of the threshold depth.     

Effect of anodizing conditions on the cell morphology of anodic films on AA2024-T3 alloy

The effects of applied current density, anodizing time, and electrolyte temperature on the cell and pore morphology of anodic films and the voltage-time response obtained during galvanostatic anodizing of AA2024-T3 alloy in sulphuric acid electrolytes have been studied. Scanning electron microscopy was employed to observe the film morphology. Sponge-like porous structure was promoted by anodizing at relatively low current density and high electrolyte temperature. In contrast, linear porous structure was favoured under the converse conditions. Intermediate conditions resulted in films containing either sequential layers of the 2 morphologies or a morphology incorporating features of the 2 types; such conditions were associated with anodizing voltages in the range 25 to 35 V. The reasons for the morphological differences are proposed to be due to interactions between film growth stresses and stresses arising from oxygen evolution on the development of the alumina cells.     

A Novel Prospective Study Assessing the Combination of Photodynamic Therapy and Proton Radiation Therapy: Safety and Outcomes When Treating Malignant Pleural Mesothelioma

Malignant pleural mesothelioma remains difficult to treat, with high failure rates despite optimal therapy. We present a novel prospective trial combining proton therapy (PT) and photodynamic therapy (PDT) and the largest‐ever mesothelioma PT experience (n = 10). PDT photosensitizers included porfimer sodium (2 mg·kg^?1; 24 h drug‐light interval) or 2‐[1‐hexyloxyethyl]‐2‐devinyl pyropheophorbide‐a (HPPH) (4 mg·m^?2;48 h) with wavelengths of 630 nm to 60J·cm^?2 and 665 nm to 15‐45J·cm^?2, respectively. With a median age of 69 years, patients were predominantly male (90%) with epithelioid histology (100%) and stage III‐IV disease (100%). PT was delivered to a median of 55.0 CGE/1.8‐2.0 CGE (range 50–75 CGE) adjuvantly (n = 8) or as salvage therapy (n = 2) following extended pleurectomy/decortication (ePD)/PDT. Two‐year local control was 90%, with distant and regional failure rates of 50% and 30%, respectively. All patients received chemotherapy, and four received immunotherapy. Surgical complications included atrial fibrillation (n = 3), pneumonia (n = 2), and deep vein thrombosis (n = 2). Median survival from PT completion was 19.5 months (30.3 months from diagnosis), and 1‐ and 2‐year survival rates were 58% and 29%. No patient experienced CTCAEv4 grade ≥2 acute or late toxicity. Our prolonged survival in very advanced‐stage patients compares favorably to survival for PT without PDT and photon therapy with PDT, suggesting possible spatial or systemic cooperativity and immune effect.     

Effect of Toxic Metal Ions on Photosensitized Singlet Oxygen Generation for Photodegradation of Polyaromatic Hydrocarbon Derivatives and Inactivation of Escherichia coli

Here, we report an experimental study of the effect of toxic metal ions on photosensitized singlet oxygen generation for photodegradation of PAH derivatives, Anthracene‐9,10‐dipropionic acid disodium salt (ADPA) and 1,5‐dihydroxynapthalene (DHN) and photoinactivation of Escherichia coli bacteria by using cationic meso‐tetra(N‐methyl‐4‐pyridyl)porphine tetrachloride (TMPyP) as a singlet oxygen photosensitizer. Three s‐block metals ions, such as Na⁺, K⁺ and Ca²⁺ and five toxic metals such as Cd²⁺, Cu²⁺, Hg²⁺, Zn²⁺ and Pb²⁺ were studied. The s‐block metal ions showed no change in the rate of photodegradation of ADPA or DHN by TMPyP, whereas a dramatic change in the photodegradation of ADPA and DHN was observed in the presence of toxic metals. The maximum photodegradation rate constants of ADPA and DHN were observed for Cd²⁺ ions [(3.91 ± 0.20) × 10^?3 s^?1 and (7.18 ± 0.35) × 10^?4 s^?1, respectively]. Strikingly, the photodegradation of ADPA and DHN was almost completely inhibited in the presence of Hg²⁺ ions and Cu²⁺ ions. A complete inhibition of growth of E. coli was observed upon visible light irradiation of E. coli solutions with TMPyP and toxic metal ions particularly, Cd²⁺, Hg²⁺, Zn²⁺ and Pb²⁺ ions, except for Cu²⁺ ions where a significantly slow inhibition of E. coli's growth was observed.     

Regio‐ and Enantio‐selective Chemo‐enzymatic C−H‐Lactonization of Decanoic Acid to (S)‐δ‐Decalactone

The conversion of saturated fatty acids to high value chiral hydroxy‐acids and lactones poses a number of synthetic challenges: the activation of unreactive C?H bonds and the need for regio‐ and stereoselectivity. Here the first example of a wild‐type cytochrome P450 monooxygenase (CYP116B46 from Tepidiphilus thermophilus) capable of enantio‐ and regioselective C5 hydroxylation of decanoic acid 1 to (S)‐5‐hydroxydecanoic acid 2 is reported. Subsequent lactonization yields (S)‐δ‐decalactone 3 , a high value fragrance compound, with greater than 90 % ee. Docking studies provide a rationale for the high regio‐ and enantioselectivity of the reaction.     

Flux in Porous Media with Memory: Models and Experiments

The classic constitutive equation relating fluid flux to a gradient in potential (pressure head plus gravitational energy) through a porous medium was discovered by Darcy in the mid 1800s. This law states that the flux is proportional to the pressure gradient. However, the passage of the fluid through the porous matrix may cause a local variation of the permeability. For example, the flow may perturb the porous formation by causing particle migration resulting in pore clogging or chemically reacting with the medium to enlarge the pores or diminish the size of the pores. In order to adequately represent these phenomena, we modify the constitutive equations by introducing a memory formalism operating on both the pressure gradient–flux and the pressure–density variations. The memory formalism is then represented with fractional order derivatives. We perform a number of laboratory experiments in uniformly packed columns where a constant pressure is applied on the lower boundary. Both homogeneous and heterogeneous media of different characteristic particle size dimension were employed. The low value assumed by the memory parameters, and in particular by the fractional order, demonstrates that memory is largely influencing the experiments. The data and theory show how mechanical compaction can decrease permeability, and consequently flux.     

Existence, number, and stability of limit cycles in weakly dissipative, strongly nonlinear oscillators

Oscillators control many functions of electronic devices, but are subject to uncontrollable perturbations induced by the environment. As a consequence, the influence of perturbations on oscillators is a question of both theoretical and practical importance. In this paper, a method based on Abelian integrals is applied to determine the emergence of limit cycles from centers, in strongly nonlinear oscillators subject to weak dissipative perturbations. It is shown how Abelian integrals can be used to determine which terms of the perturbation are influent. An upper bound to the number of limit cycles is given as a function of the degree of a polynomial perturbation, and the stability of the emerging limit cycles is discussed. Formulas to determine numerically the exact number of limit cycles, their stability, shape and position are given.     

Swelling instability of surface-attached gels as a model of soft tissue growth under geometric constraints

The purpose of this work is to provide a theoretical analysis of the mechanical behavior of the growth of soft materials under geometrical constraints. In particular, we focus on the swelling of a gel layer clamped to a substrate, which is still the subject of many experimental tests. Because the constrained swelling process induces compressive stresses, all these experiments exhibit surface instabilities, which ultimately lead to cusp formation. Our model is based on fixing a neo-Hookean constitutive energy together with the incompressibility requirement for a volumetric, homogeneous mass addition. Our approach is developed mostly, but not uniquely, in the plane strain configuration. We show how the standard equilibrium equations from continuum mechanics have a similarity with the two-dimensional Stokes flows, and we use a nonlinear stream function for the exact treatment of the incompressibility constraint. A free energy approach allows the extension both to arbitrary hyperelastic strain energies and to additional interactions, such as surface energies. We find that, at constant volumetric growth, the threshold for a wavy instability is completely governed by the amount of growth. Nevertheless, the determination of the wavelength at threshold, which scales with the initial thickness of the gel layer, requires the coupling with a surface effect. Our findings, which are valid in proximity of the threshold, are compared to experimental results. The proposed treatment can be extended to weakly nonlinearities within the aim of the theory of bifurcations.