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.     

Classical solutions to a quadratically nonlinear gauge theory

We present some classical solutions to a gauge theory based on quadratically nonlinear Lie algebras without a central term. We observe that instanton-like and meron-like solutions force the internal fields to behave like solitons.     

Erratum: Synthesis and characterization of diorganotin(IV) complexes of Schiff bases with ONO‐type donors and crystal structure of [N‐(2‐hydroxy‐4‐nitrophenyl)‐3‐ethoxysalicylideneiminato]diphenyltin(IV)

The article referenced above was first published online on 30 August 2007 with incorrect pagination; the pagination has now been corrected online and in print. Copyright © 2007 John Wiley & Sons, Ltd.     

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.     

Regional elemental signatures related to combustion of lignites

In ambient air, arsenic to selenium ratio (As/Se) is generally found to be less than 1, except in areas influenced by specific point sources, such as Cu smelters. However, the annual average of this ratio is found to be much higher than unity in Turkey. This finding is rather unique and may provide a marker for air masses influenced by the coal-related emissions in Turkey. This revised version was published online in August 2006 with corrections to the Cover Date.