Microwave and Infrared Spectra,ab InitioCalculation, and Two-Dimensional Model of Amino Group Inversion and Ring Puckering in 2,5-Dihydropyrrole

The microwave spectra of 2,5-dihydropyrrole and 2,5-dihydropyrrole-1-d₁have been measured with Stark and Fourier transform spectrometers in the range 10–39 GHz. Rotational constants, centrifugal distortion constants, and¹⁴N quadrupole coupling constants have been determined from the observed transition frequencies for the ground vibrational state. In addition, two satellites of the normal species and one satellite of the deuterated species have been identified and measured. Splittings of the rotational transitions due to amino group inversion tunneling have been observed and analyzed. Infrared transitions of the amino group inversion mode have been measured in the range 490–720 cm⁻¹. The effect of ring puckering on the inversion motion of the amino group in 2,5-dihydropyrrole and 2,5-dihydropyrrole-N-d₁has been investigated byab initiocalculations and two-dimensional flexible model calculations from the results of microwave and infrared spectroscopy. The observed molecular properties have been reproduced by a model which involved adjustable parameters for the potential energy surface and the structural relaxation of the CCC valence angles. Additional parameters have been transferred from theab initiocalculations. The adjustment of the model to the experimental data has yielded an equatorial equilibrium conformation with slightly larger CCC valence angle than in the most stable axial conformation. Excitation of the first ring puckering state has been found to enhance the inversion tunnel splittings.     

A Random Shock Model with Mixed Effect,Including Competing Soft and Sudden Failures,and Dependence

A system is considered, which is subject to external and possibly fatal shocks, with dependence between the fatality of a shock and the system age. Apart from these shocks, the system suffers from competing soft and sudden failures, where soft failures refer to the reaching of a given threshold for the degradation level, and sudden failures to accidental failures, characterized by a failure rate. A non-fatal shock increases both degradation level and failure rate of a random amount, with possible dependence between the two increments. The system reliability is calculated by four different methods. Conditions under which the system lifetime is New Better than Used are proposed. The influence of various parameters of the shocks environment on the system lifetime is studied.     

A production-transportation problem with stochastic demand and concave production costs

Well known extensions of the classical transportation problem are obtained by including fixed costs for the production of goods at the supply points (facility location) and/or by introducing stochastic demand, modeled by convex nonlinear costs, at the demand points (the stochastic transportation problem, [STP]). However, the simultaneous use of concave and convex costs is not very well treated in the literature. Economies of scale often yield concave cost functions other than fixed charges, so in this paper we consider a problem with general concave costs at the supply points, as well as convex costs at the demand points. The objective function can then be represented as the difference of two convex functions, and is therefore called a d.c. function. We propose a solution method which reduces the problem to a d.c. optimization problem in a much smaller space, then solves the latter by a branch and bound procedure in which bounding is based on solving subproblems of the form of [STP]. We prove convergence of the method and report computational tests that indicate that quite large problems can be solved efficiently. Problems up to the size of 100 supply points and 500 demand points are solved. Received October 11, 1993 / Revised version received July 31, 1995 Published online November 24, 1998     

A modified integral equation method of the semilinear backward heat problem

The paper is concerned with the non-linear backward heat equation in the rectangle domain. The problem is severely ill-posed. We shall use a modified integral equation method to regularize the nonlinear problem. The error estimates of Hölder type of the regularized solutions are obtained. Numerical results are presented to illustrate the accuracy and efficiency of the method. This work is a generalization of many earlier papers, including the recent paper [D.D. Trong, N.H. Tuan, Regularization and error estimate for the nonlinear backward heat problem using a method of integral equation, Nonlinear Anal. 71 (9) (2009) 4167-4176].     

The Smart 2-(2-Fluorobenzoyl)-N-(2-Methoxyphenyl)Hydrazinecarbothioamide Functionalized as Ni(II) Sensor in Micromolar Concentration Level and its Application in Live Cell Imaging

In recent years, fluorescent probes for the detection of environmentally and biologically important metal cations have received extensive attention for designing and development of fluorescent chemosensors. Herein, we report the photophysical results of 2-(2-fluorobenzoyl)-N-(2-methoxyphenyl) hydrazinecarbothioamide (4) functionalized as Ni (II) sensor in micromolar concentration level. Through fluorescence titration at 488 nm, we were confirmed that ligand 4 showed the remarkable emission by complexation between 4 and Ni (II) while it appeared no emission in case of the competitive ions (Cr³⁺, Fe²⁺, Co²⁺, Ba²⁺, Cu²⁺, Ca²⁺, Na⁺, K⁺, Cu⁺, Cs⁺). Furthermore, ligand 4 exhibited no toxicity with precise cell permeability toward normal living cells using L929 cell lines in bio imaging experiment investigated through confocal fluorescence microscope. The non-toxic behavior of ligand 4 (assessed by MTT assay) and its ability to track the Ni²⁺ in living cells suggest its possibility to use in biological system as nickel sensor.

Photonic Crystal Fiber Attenuator

We propose a novel fiber attenuator based on photonic crystal fibers. The difference in the modal field diameters of a conventional single mode fiber and a photonic crystal fiber was used. A variable optical attenuator was also achieved by applying macro-bending on the PCF part of the proposed attenuator     

A non‐linear and non‐local boundary condition for a diffusion equation in petroleum engineering

This article deals with a boundary value problem for Laplace equation with a non‐linear and non‐local boundary condition. This problem comes from petroleum engineering and is used to obtain an estimation of well productivity. The non‐linear and non‐local boundary condition is written on the well boundary. On the outer reservoir boundaries, we have both Dirichlet and Neumann conditions. In this paper, we prove the existence and uniqueness of a solution to this problem. The existence is proved by Schauder theorem and the uniqueness is obtained under more restricted conditions, when the involved operator is a contraction. Copyright © 2005 John Wiley & Sons, Ltd.     

First‐principles identification of defect levels in Er‐doped GaN

Erbium (Er) doped GaN has been studied extensively for optoelectronic applications, yet its defect physics is still not well understood. In this work, we report a first‐principles hybrid density functional study of the structure, energetics, and thermodynamic transition levels of Er‐related defect complexes in GaN. We discover for the first time that Er_Ga–C_N–V_N, a defect complex of Er, a C impurity, and an N vacancy, and Er_Ga–O_N–V_N, a complex of Er, an O impurity, and an N vacancy, form defect levels at 0.18 eV and 0.46 eV below the conduction band, respectively. Together with Er_Ga–V_N, a complex of Er and an N vacancy which has recently been found to produce a donor level at 0.61 eV, these defect complexes provide explanation for the Er‐related defect levels observed in experiments. The role of these defects in optical excitation of the luminescent Er center is also discussed.     

Analysis of one-dimensional Helmholtz equation with PML boundary

In this paper, the linear conforming finite element method for the one-dimensional Bérenger's PML boundary is investigated and well-posedness of the given equation is discussed. Furthermore, optimal error estimates and stability in the L²$L^2$ or H¹$H^1$-norm are derived under the assumption that h$h$, h²ω²$h^2{\omega }^2$ and h²ω³$h^2{\omega }^3$ are sufficiently small, where h$h$ is the mesh size and ω$\omega$ denotes a fixed frequency. Numerical examples are presented to validate the theoretical error bounds.     

Canonical Forest

We propose a new classification ensemble method named Canonical Forest. The new method uses canonical linear discriminant analysis (CLDA) and bootstrapping to obtain accurate and diverse classifiers that constitute an ensemble. We note CLDA serves as a linear transformation tool rather than a dimension reduction tool. Since CLDA will find the transformed space that separates the classes farther in distribution, classifiers built on this space will be more accurate than those on the original space. To further facilitate the diversity of the classifiers in an ensemble, CLDA is applied only on a partial feature space for each bootstrapped data. To compare the performance of Canonical Forest and other widely used ensemble methods, we tested them on 29 real or artificial data sets. Canonical Forest performed significantly better in accuracy than other ensemble methods in most data sets. According to the investigation on the bias and variance decomposition, the success of Canonical Forest can be attributed to the variance reduction.