Thermal and EPR spectroscopic studies of novel coordination compound trans-bis(acesulfamato)tetraaquazinc(II) with Mn(II) impurity

The thermogravimetric analysis (TGA) and electron paramagnetic resonance (EPR) studies of powder and single crystals of bis(acesulfamato)tetraaquazinc(II), Zn(acs)(2)(H(2)O)(4), a novel coordination compound, are carried out. Previously synthesized bis(acesulfamato) tetraaquamanganese(II), Mn(acs)(2)(H(2)O)(4), is included into the host in trace amount as a paramagnetic probe for EPR analysis. Single crystal EPR spectra at room temperature are resolved and discussed. Low temperature EPR spectra down to 90K do not show remarkable change. At higher temperatures, however, the TGA and EPR spectra show changes around 335 K and 395 K; the causes and the mechanisms of changes are discussed.     

Matter collineation classification of Bianchi type II spacetime

In this paper we classified the matter collineations (MCs) of Bianchi type II spacetime according to the degenerate and non-degenerate energy-momentum tensor. It is shown that when the energy-momentum tensor is degenerate, most of the cases yield infinite dimensional MCs whereas some cases give finite dimensional Lie algebras in which there are three, four or five MCs. For the non-degenerate matter tensor cases we obtained that the Lie algebra of MCs is finite dimensional, in which the number of MCs are also three, four or five. Furthermore, we discussed the physical implications of the obtained MCs in the case of perfect fluid as source.     

Heating mechanism in relation to the laser machining process

Laser workpiece interaction mechanism is an important phenomenon which will assist in the development of laser machining systems. The interaction mechanism is generally complicated and depends on the laser and workpiece properties. In the present study a mathematical analysis for the laser material removal by evaporation and radial ejection of liquid is carried out. In the analysis the time unsteady problem is solved and nucleation explosions are predicted.     

Copper(I/II) complexes of a bis(tetrathiafulvalene)-2,2'-bipyridine: synthesis, characterization, magnetic and electrochemical properties

The coordination ability of the electroactive TTF-based chelating ligand 5,5'-bis(4,5-bis(thiomethyl)-4'-carbamoyltetrathiafulvalene)-2,2'-bipyridine (L) has been tested with Cu(I) and Cu(II) centres. [(L)2Cu(I)](PF6), [(L)2Cu(II)](OTf)2 and [(L)Cu(II)(DMF)3](OTf)2 have been synthesized. A single-crystal X-ray analysis was performed on [(L)Cu(II)(DMF)3](OTf)2, showing a distorted octahedral geometry around the Cu(II) centre, and the formation of dimeric units in the solid state through weak coordination in apical position of an amide oxygen atom from a neighbouring complex. Magnetic data show that the paramagnetic metallic centres are isolated, in agreement with the solid-state structure. Electrochemical measurements were performed on the three complexes and in all cases the Cu(I)/Cu(II) and TTF/TTF+*/TTF2+ redox processes were observed.     

Role of electrolyte pH on structural and magnetic properties of Co–Fe films

Co–Fe films were electrodeposited on polycrystalline Titanium substrates from the electrolytes with different pH levels. X-ray diffraction (XRD) was used to study the crystal structure of the films. The XRD patterns showed that the films grown at the pH levels of 3.70 and 3.30 have a mixed phase consisting of face-centred cubic (fcc) and body-centred cubic, while those grown at pH=2.90 have only fcc structure. It was observed that the film composition, by energy dispersive x-ray spectroscopy, contain around 88 at% Co and 12 at% Fe for all films investigated in this study. Morphological observations indicated that all films have grainy structure with the slight change of grain size depending on the electrolyte pH. Magnetoresistance measurements, made at room temperature, showed that all films exhibited anisotropic magnetoresistance, which is affected by the electrolyte pH. From the magnetic measurements made by vibrating sample magnetometer, the saturation magnetization increases as the electrolyte pH decreases. Furthermore, all films have in-plane easy-axis direction of magnetization.     

Experimental vibrational spectra (Raman,infrared) and DFT calculations on monomeric and dimeric structures of 2‐ and 6‐bromonicotinic acid

In this work, the Fourier transform infrared and Raman spectra of 2‐bromonicotinic acid and 6‐bromonicotinic acid (abbreviated as 2‐BrNA and 6‐BrNA, C₆H₄BrNO₂) have been recorded in the region 4000–400 and 3500–50 cm⁻¹. The optimum molecular geometry, normal mode wavenumbers, infrared intensities and Raman scattering activities, corresponding vibrational assignments and intermolecular hydrogen bonds were investigated with the help of B3LYP density functional theory (DFT) method using 6‐311++G(d,p) basis set. Reliable vibrational assignments were made on the basis of total energy distribution (TED) calculated with scaled quantum mechanical (SQM) method. From the calculations, the molecules are predicted to exist predominantly as the C1 conformer. Copyright © 2009 John Wiley & Sons, Ltd.     

Multiplex identification of bacteria in bacterial mixtures with surface‐enhanced Raman scattering

Surface‐enhanced Raman scattering (SERS) is a technique capable of identifying each component in a mixture because of its intrinsically narrow spectral bands. In a clinical setting, the identification of bacteria from its initial culture by collecting the colonies on the culture plate significantly decreases the analysis time and the cost. The identification of bacteria from their mixtures is attempted using SERS. A simple mixing procedure of bacterial samples and concentrated colloidal suspension is proven to be mostly satisfactory for the generation of the reproducible SERS spectra that can be used for bacterial identification. The mixture of three different but related bacterial species Shigella sonnei, Proteus vulgaris, and Erwinia amylovara and three Escherichia coli strains (BFK13, BHK7, DH5 α) are used as model systems to test the feasibility of the approach. The results indicate that it is possible to identify the composition of a bacterial mixture. This approach can easily be utilized for the bacteria originating from the same source with similar growth profiles. Copyright © 2009 John Wiley & Sons, Ltd.     

Normal Subgroups of Hecke Groups <Emphasis Type="Italic">H</Emphasis>(<Emphasis Type="Italic">λ</Emphasis>)

Let λ ≥ 2 and let H(λ) be the Hecke group associated to λ. Also let H(λ)\U be the Riemann surface associated to the Hecke group H(λ). In this article, we study the even subgroup H _e (λ) and the power subgroups H ^m (λ) of the Hecke groups H(λ). We also study some genus 0 normal subgroups of finite index of H(λ). Finally, we discuss free normal subgroups of H(λ).     

Modeling of Thermal Conductivity of Concrete with Vermiculite by Using Artificial Neural Networks Approaches

In this article, the thermal conductivity of concrete with vermiculite is determined and also predicted by using artificial neural networks approaches, namely the radial basis neural network and multi-layer perceptron. In these models, 20 datasets were used. For the training set, 12 datasets (60%) were randomly selected, and the residual datasets (8 datasets, 40%) were selected as the test set. The root mean square error, the mean absolute error, and determination coefficient statistics are used as evaluation criteria of the models, and the experimental results are compared with these models. It is found that the radial basis neural network model is superior to the other models.     

Improved optical performance of CdO films prepared with CTAB as surfactant

The influence of surfactant cetyl trimethyl ammonium bromide (CTAB) on structural, morphological and optical properties of CdO films has been investigated. Five series of CdO films were successfully prepared by successive ionic layer adsorption and reaction method with the assistance of CTAB. These CdO films were characterized by X-ray diffraction, scanning electron microscopy and UV–vis spectroscopy. The CTAB caused in a decrease in crystallite size but an increase in the optical band gap of CdO films. From the optical investigations, it was observed that the transmittance of the pure film was about 2% and it increased dramatically to 37% for 2?M% CTAB added CdO films at the wavelength of 1100?nm. The results show that the amount of CTAB played an important role in determining the physical properties of the CdO nanostructures.