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.     

Influence of hybrid nano-structures on thermal performance of shear rate dependent viscosity fluid over a heated rotating cone with Hall and ion slip currents

Journal of Thermal Analysis and Calorimetry - The fluid of shear rate dependent viscosity has totally different rheology and exhibits dynamics which play a key role in heat transfer rate and...     

Role of compositional changes on thermal,magnetic,and mechanical properties of Fe-P-C-based amorphous alloys

This work aimed to tune the comprehensive properties of Fe-P-C-based amorphous system through investigating the role of microalloying process on the crystallization behavior,glass forming ability(GFA),soft magnetic features,and mechanical properties.Considering minor addition of elements into the system,it was found that the simultaneous microalloying of Ni and Co leads to the highest GFA,which was due to the optimization of compositional heterogeneity and creation of near-eutectic composition.Moreover,the FeCoNiCuPC amorphous alloy exhibited the best anelastic/viscoplastic behavior under the nanoindentation test,which was owing to the intensified structural fluctuations in the system.However,the improved plasticity by the extra Cu addition comes at the expense of magnetic properties,so that the saturation magnetization of this alloying system is significantly decreased compared to the FeCoPC amorphous alloy with the highest soft magnetic properties.In total,the results indicated that a combination of added elemental constitutes,i.e.,Fe69Co5Ni5Cu1P13C7 composition,provides an optimized state for the comprehensive properties in the alloying system.     

Bridging the Green Gap: Metal–Organic Framework Heteromultilayers Assembled from Porphyrinic Linkers Identified by Using Computational Screening

In organic photovoltaics, porphyrins (PPs) are among the most promising compounds owing to their large absorption cross-section, wide spectral range, and stability. Nevertheless, a precise adjustment of absorption band positions to reach a full coverage of the so-called green gap has not been achieved yet. We demonstrate that a tuning of the PP Q- and Soret bands can be carried out by using a computational approach for which substitution patterns are optimized in silico. The most promising candidate structures were then synthesized. The experimental UV/Vis data for the solvated compounds were in excellent agreement with the theoretical predictions. By attaching further functionalities, which allow the use of PP chromophores as linkers for the assembly of metal-organic frameworks (MOFs), we were able to exploit packing effects resulting in pronounced redshifts, which allowed further optimization of the photophysical properties of PP assemblies. Finally, we use a layer-by-layer method to assemble the PP linkers into surface-mounted MOFs (SURMOFs), thus obtaining high optical quality, homogeneous and crystalline multilayer films. Experimental results are in full accord with the calculations, demonstrating the huge potential of computational screening methods in tailoring MOF and SURMOF photophysical properties.     

Experimental and theoretical approaches to the study of the reactivity and mechanism of the substitution of phenyl 1-(2,4-dinitronaphthyl) ether with anilines derivatives

Reactions of aniline derivatives in dimethyl sulfoxide with phenyl 1-(2,4-dinitronaphthyl) ether yield aryl 1-(2,4-dinitronaphthyl) amine, which results in substitution of the phenoxy groups at the naphthyl ipso carbon atom. Rate constants were measured spectrophotometrically, and reaction proton transfer was rate limiting. The values of the rate coefficients indicate a rate-limiting proton transfer mechanism with significant substituent effects. The calculated activation parameters were of regular variation with substituents in 4- and 3-position in the aniline nucleophile, and the reaction proceeded through a common mechanism. Hammett's reaction constant showed that the reaction rate constants depend on the electron density of the nitrogen atom of aniline derivative, whereas the coefficient value obtained from the Brönsted relation indicated that the reaction was significantly associative and quite zwitterion like. Computational studies of the substitution were carried out based on density functional theory, and theoretical to the experimental agreement was achieved.     

Existence of conformal metrics with prescribed scalar curvature on the four dimensional half sphere

In this paper, we consider the problem of prescribing the scalar curvature under minimal boundary conditions on the four dimensional half sphere. Using dynamical and topological methods involving the study of the critical points at infinity of the associated variational structure, we prove some existence results like Bahri-Coron theorem. Furthermore, we consider the approximate subcritical problem and we construct some solutions which blow up at two different points, one of them lay on the boundary and the other one is an interior point.     

A comprehensive exploration of pharmacological properties,bioactivities and inhibitory potentiality of luteolin from Tridax procumbens as anticancer drug by in-silico approach

Structural Chemistry - Tridax procumbens is a flowering plant of the Asteraceae family with a wide range of medicinal uses like anti-inflammatory, anti-diabetic, anti-microbial, immunomodulatory,...