Asymptotic behavior of positive solutions for heat equation with nonlinear term

We study the nonlinear parabolic equation , in Rn×(0,∞) with boundary condition u(x,0)=u₀(x), not necessarily bounded function. The nonlinearity φ((x,t),u) is required to satisfy some conditions related to the parabolic Kato class P^∞(Rn) while allowing existence of positive solutions of the equation and continuity of such solutions. Our approach is based on potential theory tools.     

An Adaptive Rank Aggregation-Based Ensemble Multi-Filter Feature Selection Method in Software Defect Prediction

Feature selection is known to be an applicable solution to address the problem of high dimensionality in software defect prediction (SDP). However, choosing an appropriate filter feature selection (FFS) method that will generate and guarantee optimal features in SDP is an open research issue, known as the filter rank selection problem. As a solution, the combination of multiple filter methods can alleviate the filter rank selection problem. In this study, a novel adaptive rank aggregation-based ensemble multi-filter feature selection (AREMFFS) method is proposed to resolve high dimensionality and filter rank selection problems in SDP. Specifically, the proposed AREMFFS method is based on assessing and combining the strengths of individual FFS methods by aggregating multiple rank lists in the generation and subsequent selection of top-ranked features to be used in the SDP process. The efficacy of the proposed AREMFFS method is evaluated with decision tree (DT) and naïve Bayes (NB) models on defect datasets from different repositories with diverse defect granularities. Findings from the experimental results indicated the superiority of AREMFFS over other baseline FFS methods that were evaluated, existing rank aggregation based multi-filter FS methods, and variants of AREMFFS as developed in this study. That is, the proposed AREMFFS method not only had a superior effect on prediction performances of SDP models but also outperformed baseline FS methods and existing rank aggregation based multi-filter FS methods. Therefore, this study recommends the combination of multiple FFS methods to utilize the strength of respective FFS methods and take advantage of filter–filter relationships in selecting optimal features for SDP processes.     

Particle Sizing in a Flow Environment Using Light Scattering Patterns

This study introduces measurements of light scattering intensities individually produced from polystyrene micro‐spheres illuminated by focused Gaussian beams in a flow environment. These light scattering signatures are correlated to the particle size. The Fourier domain information of the light scattering signatures are interpreted and translated to recover the dimension of each particle. A hardware‐software interface is designed to capture, analyze and interpret the collection of various scattering light intensities. A major contribution of this study is in consolidating the implementation of the Lorenz‐Mie theory with the experimental results of collected light scatterings for the purpose of particle sizing through novel pattern analysis techniques. In so doing, a synergetic approach is considered in bringing together the hardware design with the software implementations for an integrated hardware‐software interface.     

Rapid measurements of neptunium oxidation states using chromatographic resins

The Savannah River Site’s (SRS) H-Canyon facility uses ceric ammonium nitrate (CAN) to separate impure neptunium (Np) from a nitric acid feed stream containing 0.5–1.0 M concentrations of iron, sodium and sulfate impurities. The material is processed using a two-pass solvent extraction purification which relies on CAN to oxidize Np to Np(VI) during the first pass prior to extraction. Spectrophotometric oxidation-state analyses normally used to validate successful oxidation to Np(VI) prior to extraction were compromised by this feed stream matrix. Therefore, a rapid chromatographic method to validate successful Np oxidation was developed using Eichrom Industries’ TRU and TEVA^® resins. The method was validated and subsequently transferred to existing operations in the process analytical laboratories.     

Bound states of Dirac fermions in monolayer gapped graphene in the presence of local perturbations

In graphene,conductance electrons behave as massless relativistic particles and obey an analogue of the Dirac equation in two dimensions with a chiral nature.For this reason,the bounding of electrons in graphene in the form of geometries of quantum dots is impossible.In gapless graphene,due to its unique electronic band structure,there is a minimal conductivity at Dirac points,that is,in the limit of zero doping.This creates a problem for using such a highly motivated new material in electronic devices.One of the ways to overcome this problem is the creation of a band gap in the graphene band structure,which is made by inversion symmetry breaking(symmetry of sublattices).We investigate the confined states of the massless Dirac fermions in an impured graphene by the short-range perturbations for "local chemical potential" and "local gap".The calculated energy spectrum exhibits quite different features with and without the perturbations.A characteristic equation for bound states(BSs) has been obtained.It is surprisingly found that the relation between the radial functions of sublattices wave functions,i.e.,f_m~+(r),g_m~+(r),and f_m~-(r),g_m~-(r),can be established by SO(2) group.     

Bond dissociation energies in organometallic systems: substituent effects

A knowledge of the factors determining the magnitude of the bond dissociation enthalpy (BDE) is of importance to the advancement of theoretical organometallic chemistry and from the practical standpoint. The central atom and the substituents bound to it influence the BDE values; however, the interplay between the BDE and the substituent effects remains unknown. In this work, the literature data on substituent influence on the BDE of lithium, sodium, copper, silver, mercury, aluminium, gallium, silicon, germanium, tin, lead, phosphorus, antimonium, chromium, iron, cobalt, nickel, rhodium, and iridium compounds (37 series) have been analyzed, using the correlation analysis. Generally, the BDE values were first established to depend on the joint influence of the inductive, resonance, polarizability, and steric effects of substituents. The contribution of the polarizability effect ranges up to about 40%. Copyright © 2014 John Wiley & Sons, Ltd.     

One-pot five-component synthesis of highly functionalized piperidines using oxalic acid dihydrate as a homogenous catalyst

An efficient green protocol is described for the preparation of highly functionalized piperidines via a one-pot five-component reaction between aromatic aldehydes,anilines andβ-ketoesters in the presence of oxalic acid dihydrate as catalyst in ethanol at ambient temperature.The structure as well as the relative stereochemistry of these compounds was confirmed by single X-ray crystallographic analysis.     

Combined muta- and semisynthesis: a powerful synthetic hybrid approach to access target specific antitumor agents based on ansamitocin P3

Access of four new tumor specific folic acid/ansamitocin conjugates is reported that relies on a synthetic strategy based on the combination of mutasynthesis and semisynthesis. Two bromo‐ansamitocin derivatives were prepared by mutasynthesis or by a modified fermentation protocol, respectively, that served as starting point for the semisynthetic introduction of an allyl amine linker under Stille conditions. A sequence of standard coupling steps introduced the pteroic acid/glutamic acid/cysteine unit to the modified ansamitocins. All new derivatives, including those that are expected to be generated after internalization of the folic acid/ansamitocin conjugates into the cancer cell and reductive cleavage of the disulfide linkage showed good to strong antiproliferative activity (IC₅₀ <10 nM ) for different cancer cell lines. Finally, the four conjugates were exposed to two cancer cell lines [cervix carcinoma, KB‐3‐1 (FR+) and lung carcinoma, A‐459 (FR?)], the latter devoid of the membrane‐bound folic acid receptor (FR?). All four conjugates showed strong antiproliferative activity for the FR+ cancer cell line but were inactive against the FR? cell line. The synthetic strategy pursued is based on the combination of mutasynthesis and semisynthesis and proved to be powerful for accessing new ansamitocin derivatives that are difficult to prepare by total synthesis.     

One-pot Crabbé homologation-radical cascade cyclisation with memory of chirality

The tandem Crabbé homologation-radical rearrangement of terminal enediynes leads, in a one-pot procedure, to the enantioselective synthesis of six- and seven-membered ring α-aminoesters bearing a quaternary stereocenter based on the phenomenon of memory of chirality.