Characterization of new Pt(IV)–thiazole complexes: Analytical,spectral, molecular modeling and molecular docking studies and applications in two opposing pathways

New thiazole derivatives were synthesized and fully characterized, then coordinated with PtCl₄ salt. Also, the newly synthesized Pt(IV) complexes were investigated analytically (elemental and thermogravimetric analyses), spectrally (infrared, UV–visible, mass, ¹H NMR, ¹³C NMR, X‐ray diffraction) as well as theoretically (kinetics, modeling and docking). The data extracted led to the establishment of the best chemical and structural forms. Octahedral geometry was the only formula proposed for all complexes, which is favorable for d⁶ systems. The molecular ion peaks from mass spectral analysis coincide with all analytical data, confirming the molecular formula proposed. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) allowed discrimination of features between crystalline particles and other amorphous morphology. By applying Gaussian09 as well as HyperChem 8.2 programs, the best structural forms were obtained, as well as computed significant parameters. Computed parameters such as softness, hardness, surface area and reactivity led us towards application in two opposing pathways: tumor inhibition and oxidation activation. The catalytic oxidation for CO was conducted over PtO₂, which was yielded from calcination of the most reactive complex. The success of catalytic role for synthesized PtO₂ was due to its particulate size and surface morphology, which were estimated from XRD patterns and SEM images, respectively. The antitumor activity was tested versus HCT‐116 and HepG‐2 cell lines. Mild toxicity was recorded for two of the derivatives and their corresponding complexes. This degree of toxicity is more favorable in most cases, due to exclusion of serious side effects, which is coherently attached with known antitumor drugs.     

Validated Infeasible Interior-Point Predictor–Corrector Methods for Linear Programming

Many problems arising in practical applications lead to linear programming problems. Hence, they are fundamentally tractable. Recent interior-point methods can exploit problem structure to solve such problems very efficiently. Infeasible interior-point predictor–corrector methods using floating-point arithmetic sometimes compute an approximate solution with duality gap less than a given tolerance even when the problem may not have a solution. We present an efficient verification method for solving linear programming problems which computes a guaranteed enclosure of the optimal solution and which verifies the existence of the solution within the computed interval.     

Near-barrier fusion reactions induced by α on197Au,193Ir,191Ir,185Re,181Ta,121Sb and69Ga nuclei

Fusion-evaporation cross-sections for the α-induced reactions upon¹⁹⁷Au,¹⁹³Ir,¹⁹¹Ir,¹⁸⁵Re,¹⁸¹Ta,¹²¹Sb and⁶⁹Ga nuclei at bombarding energies near the Coulomb barrier have been measured by off-line observation of the γ-rays emitted in the radioactive decay of the residual nuclei using stacked foil technique. The total fusion cross-section for the systems have been compared with simple statistical model calculations using the code ALICE/91 as well as with the coupled channel calculations that include the β₂ and ν₄ slatic deformations and dynamic couplings of the vibrational/rotational states of the target and the projet tile using the code CCDEF.     

High speed p-type SiGe modulation-doped field-effect transistors

We report on the fabrication and characterization of high-speed p-type modulation-doped field-effect transistors (MODFETs) with 0.7-μm and 1-μm gate-lengths having unity current-gain cut-off frequencies (f_T) of 9.5 GHz and 5.3 GHz, respectively. The devices were fabricated on a high hole mobility SiGe heterostructure grown by ultra-high-vacuum chemical vapor deposition (UHV-CVD). The dc maximum extrinsic transconductance (g_m) is 105 mS/mm (205 mS/mm) at room temperature (77 K) for the 0.7-μm gate length devices. The fabricated devices show good pinch-off characteristics and have a very low gate leakage current of a few μA/mm at room temperature and a few nA/mm at 77 K     

High performance analog VLSI computational circuits

Simple linear voltage/current-controlled voltage-to-current (V-T) converters, which are to first-order insensitive to the threshold voltage variation, are introduced. The circuits can be used as basic building blocks to construct simple analog computational circuits, which can perform functions such as square rooting, squaring, multiplication, sum of squares, difference of squares, etc. Some of the key features are: good linearity, floating inputs [high common-mode rejection ratio (CMRR)], simplicity, and good transconductance tuning range. The circuits can be realized with CMOS devices in saturation, however, BiCMOS devices extend their speed and input voltage range. Realistic simulations and experimental results clearly demonstrate the claims     

Application of N,N‐bis(diphenylphosphino)aniline palladium(II) complexes as pre‐catalysts in Heck coupling reactions

Palladium(II) complexes with N,N‐bis(diphenylphosphino)aniline ligands catalyse the Heck reaction between styrene and aryl bromides, affording stilbenes in good yield. The structures of two of the complexes used as pre‐catalysts have been determined by single‐crystal X‐ray diffraction. Copyright © 2007 John Wiley & Sons, Ltd.     

A Numerical Calculation for Electron Impact Excitation of Copper

The scattering of electrons by atomic copper has been studied using Born approximation and the concept of the generalized oscillator strength (GOS). Differential and total cross-sections for the excitation of the 3d¹⁰ 4p² P state are calculated at incident energies of 100 eV and are compared with other available experimental and theoretical data. The agreement between our calculation for the differential cross-section and the available experimental results is fairly good at the forward angles, while the agreement at large angles is poor. The calculated total cross-sections are compared with the experimental data and those predicted by several theories. It is found that our calculation for the total cross-sections are in a good agreement with the close coupling calculation of Msezane and Henry (1986a, Physical Review A 33, 1631) for incident energies greater than 20 eV. The integrated cross-section measurements of Ismail and Teubner (1995, Journal of Physics B: Atomic, Molecular and Optical Physics 28, 4164) are in good agreement with the present calculation.     

Link budget analysis for multistandard receiver architectures

As devices shrink, creating integrated circuits (ICs) that work with the required accuracy becomes more difficult due to issues related to device physics. Receivers are part of an area referred to as "mixed-signal design," meaning that both analog and digital circuitry will be on the same IC. This too presents many challenging issues, as the analog circuitry is highly sensitive to disruptions caused by the noisy digital circuitry. Therefore, accurate modeling and simulation is crucial in the design of wireless receivers to ensure the best possible operation of the fabricated IC. Through simulation and modeling a designer can determine if receiver architecture will meet the required specifications and pinpoint the possible problems before valuable time is spent developing the actual circuit. This article will present design issues for multistandard wireless receivers to give the reader an understanding of the challenges involved in link-budget analysis. TITAN (Toolbox for Integrated Transceiver Analysis), a link-budget analysis tool developed at The Ohio State University Analog VLSI Laboratory, will be presented as an example of a tool for receiver simulation. To determine design performance, various requirements must be translated to model parameters. Among the requirements for receivers are noise floor (NF), second- and third-order distortion (IP2 and IP3, respectively), reciprocal mixing, and phase noise. TITAN offers a graphical interface and encapsulated models to the designer, eliminating the possibility of formula corruption. The interface provides a more intuitive and sophisticated way of setting up the simulation and provides the designer with more readable results. Additionally, a blocking profile component allows the architecture to be tested across multiple standards.     

Embedded diagonally implicit Runge–Kutta–Nystrom 4(3) pair for solving special second-order IVPs

In this paper, third-order 3-stage diagonally implicit Runge–Kutta–Nystrom method embedded in fourth-order 4-stage for solving special second-order initial value problems is constructed. The method has the property of minimized local truncation error as well as the last row of the coefficient matrix is equal to the vector output. The stability of the method is investigated and a standard set of test problems are tested upon and comparisons on the numerical results are made when the same set of test problems are reduced to first-order system and solved using existing Runge–Kutta method. The results clearly shown the advantage and the efficiency of the new method.