Numerical implementation of the QMR algorithm by using discrete stochastic arithmetic

In each step of the quasi-minimal residual (QMR) method which uses a look-ahead variant of the nonsymmetric Lanczos process to generate basis vectors for the Krylov subspaces induced byA, it is necessary to decide whether to construct the Lanczos vectorsv _n +1 andw _n +1 as regular or inner vectors. For a regular step it is necessary thatD _k =W _k ^T V _k is nonsingular. Therefore, in the floating-point arithmetic, the smallest singular value of matrix D_k,σ _min (D _k ), is computed and an inner step is performed ifσ _min (D _k )<∈, where ∈ is a suitably chosen tolerance. In practice it is absolutely impossible to choose correctly the value of the tolerance ∈. The subject of this paper is to show how discrete stochastic arithmetic remedies the problem of this tolerance, as well as the problem of the other tolerances which are needed in the other checks of the QMR method with the estimation of the accuracy of some intermediate results. Numerical examples are used to show the good numerical properties.     

Synthesis of a graphene‐based nanocomposite for the dispersive solid‐phase extraction of vancomycin from biological samples

The approach of this work was to study the capability of graphene‐based materials in the field of biological sample preparation. A polypyrrole/graphene composite was synthesized and characterized. The potential of the nanocomposite was investigated as a sorbent in dispersive solid‐phase extraction followed by high‐performance liquid chromatography with UV detection for vancomycin as a model drug. The effect of different parameters influencing extraction efficiency such as sample pH and sample volume, ionic strength, extraction time, type, and volume of desorption solvent and desorption time were investigated. A comparison study was also conducted between polypyrrole/graphene and some different novel and classic sorbents. Under optimized conditions, the calibration curve for vancomycin showed linearity in the range of 0.05–10 μg/mL. In addition, limits of detection, and quantification were 0.003 and 0.01 μg/mL, respectively. The intraday and interday relative standard deviations at a concentration of 0.05 μg/mL (n = 3) were 1.6 and 2.1%, respectively. Furthermore, the proposed method was successfully applied for the determination of vancomycin in plasma and urine samples. The relative recoveries indicated the feasibility of graphene‐based sorbents in biological sample analysis.     

Highly efficient synthesis of dicoumarols and xanthene derivatives in presence of Brønsted–Lewis acidic ionic liquids catalyst

A series of metal chloride-based acidic ionic liquids have been prepared and used as an efficient catalyst in one-pot multicomponent synthesis of biscoumarins and substituted xanthenes derivatives under solvent-free conditions. Among the acidic ionic liquids, N-methylpyrrolidonium zinc chloride (Hnmp/ZnCl₃)-based Brønsted–Lewis acidic ionic liquids were found to be an effective and recyclable catalyst for a one-pot synthesis of biscoumarins through the domino Knoevenagel–Michael reaction of a variety of aldehydes with 4-hydroxycoumarin in short reaction times. The reactions which occur under relatively mild conditions afforded the biscoumarin derivatives employing a very low loading of catalyst in satisfactory isolated yields and high purity after simple work-up. The Brønsted–Lewis acidic ionic liquid catalyst was reused four times without any variation in yield.     

Efficient synthesis of highly substituted thiophenes from acetylenic esters,ethyl bromopyruvate,and tetramethylthiourea

The reaction of acetylenic esters with ethyl bromopyruvate in the presence of tetramethylthiourea led to highly functionalized thiophenes in excellent yields. Correspondence: Issa Yavari, Chemistry Department, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran.     

纳米尺度NiLa2O4尖晶石催化NaBH4还原亚胺制仲胺

由溶胶-凝胶法制得的Ni-La化合物经热分解制备了纳米尺度NiLa2O4尖晶石，在750 oC焙烧后形成了结晶良好的尖晶石结构.采用差热分析、X射线衍射、透射电镜、扫描电镜和粒度分布分析等手段表征了该尖晶石的物理化学性质.结果表明，该纳米颗粒有规则的外形和确定的晶面，由平均粒径为40 nm的规整半球晶粒组成.精修的晶胞参数a=3.861205?和c=12.6793?.在NaBH4选择还原亚胺制相应仲胺的反应中，该新型纳米NiLa2O4尖晶石可用作高效多相催化剂，得到了较高的产物产率.所有反应可在室温和相对较短的时间内完成.在优化的反应条件下，均可得到带有不同芳基的，包括带有吸电子和供电子基团的仲胺.该催化剂回收简便，重复使用4次，其催化活性未见明显下降.     

A glassy carbon electrode with electrodeposited silver nanoparticles for aptamer based voltammetric determination of trinitrotoluene using riboflavin as a redox probe

An electrochemical nanoaptasensor is described that is based on the use of a glassy carbon electrode (GCE) modified with electrodeposited silver nanoparticles (AgNPs). An aptamer (Apt) against trinitrotoluene (TNT) was then immobilized on the AgNPs. The addition of TNT to the modified GCE leads to decrease in peak current (typically measured at a potential of ?0.45 V vs. Ag/AgCl) of riboflavin which acts as an electrochemical probe. Even small changes in the surface (as induced by binding of Apt to TNT) alter the interfacial properties. As a result, the LOD is lowered to 33 aM, and the dynamic range extends from 0.1 fM to 10 μM without sacrificing specificity.

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Graphical abstract Schematic presentation of a nanoaptasensor which is based on a glassy carbon electrode (GCE) modified with electrodeposited silver nanoparticles (AgNPs) and aptamer (Apt). It was applied to the detection of 2,4,6-trinitrotoluene (TNT) with the help of riboflavin (RF) as a redox probe.

     

Simultaneous voltammetric sensing of acetaminophen,epinephrine and melatonin using a carbon paste electrode modified with zinc ferrite nanoparticles

A highly selective electrochemical sensor was fabricated based on a modified carbon paste electrode with zinc ferrite nanoparticles (ZnFe₂O₄ NPs). The nanocomposite has attractive properties such as high surface-to-volume ratio and good electrocatalytic activity towards the drugs acetaminophen (AC), epinephrine (EP), and melatonin (MT), best at working voltages of 0.35, 0.09 and 0.55 V (vs. Ag/AgCl), respectively. The linear ranges (and detection limits) are 6.5–135 (0.4) μmol L^?1 for AC, 5–100 (0.7) μmol L^?1 for EP, and 6.5–145 (3) μmol L^?1 for MT.

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Graphical abstract A novel electrochemical sensor based on a modified carbon paste electrode with zinc ferrite nanoparticles (ZnFe₂O₄) for the simultaneous detection of the acetaminophen, epinephrine and melatonin was fabricated

     

Immobilized Vanadium Histidine and Tryptophan Schiff Base Complexes on Modified Magnetite Nanoparticles as Epoxidation Catalyst

In this study, magnetically recoverable vanadium complexs designated as VO(Sal-Tryp)/AmpSCMNPs and VO(Sal-His)/AmpSCMNPs were prepared through immobilization of Schiff bases of histidine or tryptophan with salicylaldehyde on the surface of modified silica coated iron oxide magnetite nanoparticles with (3-aminopropyl) trimethoxysilane as aminopropyl (Amp) spacer followed by complexation with VOSO₄. Characterization was carried out by chemical analysis, Fourier transform infrared spectroscopy, XRD, scanning electron microscopy and vibrating sample magnetometry techniques. VO(Sal-Tryp)/AmpSCMNPs and VO(Sal-His)/AmpSCMNP were found to catalyze the epoxidation of allyl alcohols and olefins with tert-butyl hydroperoxide with excellent conversions and selectivities. Investigation of the stability and reusability revealed the heterogeneity character of the catalyst with no desorption during the course of epoxidation reactions. High yields, clean reactions, easily catalyst separation and recyclability of the solid catalyst are some advantages of this method.     

Molecular engineering of inorganic halide perovskites and HTMs for photovoltaic applications

A comprehensive study was performed for the design of ABX₃ perovskites, (A = Li, K, Na, B = Ge, Sn, Pb, X = F, Cl, Br, I) and organic hole transfer materials, HTMs (Fu-2a, Fu-2b, Fu-2c, and Dm-Q) for efficient perovskite solar cells (PSCs) through quantum chemistry calculations. Photovoltaic characteristics of the investigated perovskites are strongly affected by the halide anions. The results reveal that reducing the exciton binding energy of perovskites enhances the rate of the formation/dissociation of holes and electrons so F-based perovskites are superior from this viewpoint. Additionally, the electron and hole injection processes are more favorable in the case of the F-based perovskites in comparison with other studied perovskites. Moreover, spectroscopic properties of the perovskites demonstrate that KSnCl₃, NaSnCl₃, and F-based perovskites exhibit a greater ability of the light-harvesting and incident photon to current conversion efficiency. Ultimately, based on diverse analyses, F-based perovskites, KSnCl₃ and NaSnCl₃ are the preferred candidates to be applied in the PSCs due to an excellent incident photon to current conversion efficiency, light-harvesting efficiency, short circuit current, and solar cell final efficiency.     

Chaos control and generalized projective synchronization of heavy symmetric chaotic gyroscope systems via Gaussian radial basis adaptive variable structure control

This paper proposes the chaos control and the generalized projective synchronization methods for heavy symmetric gyroscope systems via Gaussian radial basis adaptive variable structure control. Because of the nonlinear terms of the gyroscope system, the system exhibits chaotic motions. Occasionally, the extreme sensitivity to initial states in a system operating in chaotic mode can be very destructive to the system because of unpredictable behavior. In order to improve the performance of a dynamic system or avoid the chaotic phenomena, it is necessary to control a chaotic system with a periodic motion beneficial for working with a particular condition. As chaotic signals are usually broadband and noise like, synchronized chaotic systems can be used as cipher generators for secure communication. This paper presents chaos synchronization of two identical chaotic motions of symmetric gyroscopes. In this paper, the switching surfaces are adopted to ensure the stability of the error dynamics in variable structure control. Using the neural variable structure control technique, control laws are established which guarantees the chaos control and the generalized projective synchronization of unknown gyroscope systems. In the neural variable structure control, Gaussian radial basis functions are utilized to on-line estimate the system dynamic functions. Also, the adaptation laws of the on-line estimator are derived in the sense of Lyapunov function. Thus, the unknown gyro systems can be guaranteed to be asymptotically stable. Also, the proposed method can achieve the control objectives. Numerical simulations are presented to verify the proposed control and synchronization methods. Finally, the effectiveness of the proposed methods is discussed.