A first-principles studies on TlX (X=P, As)

We present an ab initio study of the structural, electronic and thermodynamic properties of TlX(X=P,As). The plane-wave pseudopotential approach to the density-functional theory within the LDA and GGA approximations implemented in VASP (Viena Ab-initio Simulation Package) is used. The calculated lattice parameter, elastic constants, and band structures are compared with other available theoretical results, and good agreement is obtained. In addition, we have calculated the transition pressure (P _t ) from zinc-blende (ZB) to (rock-salt) NaCl structures, and have examined some thermodynamic properties.      

Weighted Rogers–Ramanujan partitions and Dyson crank

In this paper, we refine a weighted partition identity of Alladi. We write formulas for generating functions for the number of partitions grouped with respect to a partition statistic other than the norm. We tie our weighted results as well as the different statistics with the crank of a partition. In particular, we prove that the number of partitions into even number of distinct parts whose odd-indexed parts’ sum is n is equal to the number of partitions of n with non-negative crank.     

Electrochemical biosensor based on self-assembled monolayers modified with gold nanoparticles for detection of HER-3

We have developed a new immunological biosensor for ultrasensitive quantification of human epidermal growth factor receptor-3(HER-3). In order to construct the biosensor, the gold electrode surface was layered with, hexanedithiol, gold nanoparticles, and cysteamine, respectively. Anti-HER-3 antibody was covalently attached to cysteamine by glutaraldehyde and used as a bioreceptor in a biosensor system for the first time by this study. Surface characterization was obtained by means of electrochemical impedance spectroscopy and voltammetry. The proposed biosensor showed a good analytical performance for the detection of HER-3 ranging from 0.2 to 1.4 pg mL⁻¹. Kramers–Kronig transform was performed on the experimental impedance data. Moreover, in an immunosensor system, the single frequency impedance technique was firstly used for characterization of interaction between HER-3 and anti-HER-3. Finally the presented biosensor was applied to artificial serum samples spiked with HER-3.     

Iminophosphine palladium catalysts for Suzuki carbonylative coupling reaction

Three iminophosphine ligands having soft phosphorus and hard nitrogen atoms and their Pd(II) complexes were synthesized and characterized using ¹H NMR, ¹³C NMR, ³¹P NMR and Fourier transform infrared spectroscopic techniques. Also, electrochemical properties of the iminophosphines and their Pd(II) complexes were investigated in acetonitrile–tetrabutylammonium perchlorate solution with cyclic and square wave voltammetry techniques. All Pd(II) complexes were evaluated as catalysts for carbonylative cross‐coupling reactions of aryl iodides with phenylboronic acid. The Suzuki carbonylation of aryl iodides at 80 °C under balloon pressure of carbon monoxide in the presence of K₂CO₃ as a base was examined, and good to high conversions and excellent selectivities were obtained.     

Pulsed Deposited Manganese and Vanadium Oxide Film Modified with Carbon Nanotube and Gold Nanoparticle: Chitosan and Ionic Liquid‐based Biosensor

Present study describes the synthesis of mixed oxide films of manganese and vanadium by electrochemical pulsed deposition technique on a glassy carbon electrode (GCE) modified with multiwall carbon nanotubes (MWCNT). The film was further decorated with gold nanoparticles to enhance the reduction signal of dissolved oxygen in pH 5.17 acetate buffer solution. All of the electrochemical synthesized modified electrodes have been characterized with Scanning electron microscopy(SEM), High‐resolution transmission electron microscopy (HRTEM), X‐Ray photoelectron spectroscopy (XPS), X‐Ray diffraction (XRD) techniques. The electrode obtained (AuNPs/MnOx?VOx/CNT/GCE) was utilized as a platform for glucose biosensor where the glucose oxidase enzyme was immobilized on the composite film with the aid of chitosan and an ionic liquid. The electrochemical performance of the biosensor was investigated by cyclic voltammetry and the relative parameters have been optimized by amperometric measurements in pH 5.17 acetate buffer solution. The developed biosensor exhibited a linear range for glucose between 0.1–1.0 mM and the limit of detection was calculated as 0.02 mM.     

Heating rate effects for the melting transition of Pt-Ag-Au nanoalloys

The classical molecular dynamics simulations in canonical NVT ensemble conditions are used to investigate the melting transition in different heating rates of Pt-Ag-Au ternary nanoalloys. In order to obtain the initial configurations used in the molecular dynamics simulations, optimizing the chemical ordering of Pt₁₃Ag_nAu_42-n (n=0-42) ternary nanoalloys was performed using the Basin-Hopping algorithm which would not allow changes in the icosahedron structure. The Gupta many-body potential was used to model interatomic interactions in both molecular dynamics simulations and optimization simulations. The melting transitions of selected Pt-Ag-Au nanoalloys were explored using caloric curves and Lindemann parameters. There have been two identified types of melting mechanisms, one includes sudden jump behavior in the caloric curve and the other is an isomerization while melting transition. The temperature range in which the isomerization takes place depends on the heating rate value.     

HAMILTON OPERATORS AND HOMOTHETIC MOTIONS IN R3

IntroductionPfaff[1]hasbeendefinedaquaternionproductonleaf (theplanecontainingtheOx_axis) .Byaidoftheproduct,anewproductisdefinedonplaneswhichpassesthroughtheorigindonotcontaintheOx_axisandsomeofthepropertiesofthisproducthavebeeninvestigated .Agrawal[2 ]gavesomealgebricpropertiesofHamiltonoperators.Also ,quaternionswereexpressedintermsof 4× 4matricesbymeansoftheseoperators.Yayli[3]gavehomotheticmotionswithaidoftheHamiltonoperatorsatE4 .Hacisalihoglu[4 ]showedthatallHomotheticmotionsinn_di…     

A novel approach to estimation of E. coli promoter gene sequences: Combining feature selection and least square support vector machine (FS_LSSVM)

In this paper, we have investigated the real-world task of recognizing biological concepts in DNA sequences. Recognizing promoters in strings that represent nucleotides (one of A, G, T, or C) has been performed using a novel approach based on combining feature selection (FS) and least square support vector machine (LSSVM). Dimensionality of Escherichia coli promoter gene sequences dataset has 57 attributes and 106 samples including 53 promoters and 53 non-promoters. The proposed system consists of two parts. Firstly, we have used the FS process to reduce the dimensionality of E. coli promoter gene sequences dataset that has 57 attributes. So the dimensionality of this dataset has been reduced to 4 attributes by means of FS process.Secondly, LSSVM classifier algorithm has been run to estimation the E. coli promoter gene sequences. In order to show the performance of the proposed system, we have used the success rate, sensitivity and specificity analysis, 10-fold cross validation, and confusion matrix. Whilst only LSSVM classifier has been obtained 80% success rate using 10-fold cross validation, the proposed system has been obtained 100% success rate for same condition. These obtained results indicate that the proposed approach improve the success rate in recognizing promoters in strings that represent nucleotides.