Kinetics of Thermal Decomposition of Plumbo-jarosite

An investigation was carried out on the kinetics of thermal decomposition of plumbo-jarosite. The kinetic models of dissociation of the compounds in the ore were identified. The results of the kinetic studies and the mechanism of the process are discussed. The thermal decomposition of plumbo-jarosite occurs in three stages: the first up to 763, the second up to 1023 and the third up to 1223 K, the corresponding activation energy values being 62.2, 60.3 and 98.0 kJ mol^–1 , respectively. This revised version was published online in July 2006 with corrections to the Cover Date.     

Dithienosilole- and dibenzosilole-thiophene copolymers as semiconductors for organic thin-film transistors

The synthesis and physicochemical properties of a new class of thiophene/arenesilole-containing pi-conjugated polymers are reported. Examples of this new polymer class include the following: poly(2,5-bis(3',3' '-dihexylsilylene-2',2' '-bithieno)thiophene) (TS6T1), poly(2,5'-bis(3' ',3' '-dihexylsilylene-2' ',2' '-bithieno)bithiophene) (TS6T2), poly(2,5'-bis(2' ',2' '-dioctylsilylene-1' ',1' '-biphenyl)thiophene) (BS8T1), and poly(2,5'-bis(2' ',2' '-dioctylsilylene-1' ',1' '-biphenyl)bithiophene) (BS8T2). Organic field-effect transistors (OFETs) with hole carrier mobilities as high as 0.02-0.06 cm2/V s in air, low turn-on voltages, and current on/off ratios >105-106 are fabricated using solution processing techniques with the above polymers as the active channel layer. OFETs based on this polymer class exhibit excellent ambient operational stability.     

Assessment of radiological hazard parameters due to natural radioactivity in soils from granite-rich regions in Kütahya Province,Turkey

The analysis of natural radioactivity from ²³⁸U, ²³²Th and ⁴⁰K in 357 soil samples collected from the province of Kütahya was carried out using a NaI(Tl) gamma-ray spectroscopy system at the Nuclear Physics Research Laboratory, Dumlup?nar University, Kütahya, Turkey. The specific activities of ²³⁸U, ²³²Th and ⁴⁰K in the soil samples were evaluated. From the activity concentrations of ²³⁸U, ²³²Th and ⁴⁰K, the total absorbed outdoor gamma-ray dose rates and the corresponding annual effective dose rates were determined. The corresponding values of the external and internal hazard indices of all the soil samples were also calculated. The external gamma-ray dose rate at 1 m above the ground was directly measured at each collected soil sample location. The results obtained in this study were compared within the limits of values obtained in other cities of Turkey, those in other countries. Radiological maps of Kütahya Province were constructed from the results of this study.     

Dynamical investigation of effects of variable damper settings induced brake pressure oscillations on axle and wheel oscillations during ABS-braking based on experimental study

In this study, the effects of variable damping setting induced brake pressure oscillations on axle and wheel oscillations have been experimentally explored. For this, antilock brake system (ABS) tests are conducted on wet and slippery rough roads with hard, medium-hard and soft shock absorbers. In ABS tests, the axle height, the longitudinal and vertical axle accelerations have been measured. The results are discussed for time and frequency responses of axle vibrations in vertical and longitudinal direction. The time responses are separately considered for high and low piston velocities of damper. Also, in order to occur the effects of changes in ABS-brake pressure on axle vibrations, novel rules are designed. These rules are based on the integration of suspension dynamics into braking dynamics. The results show that the brake pressure is distinctly changed by variable damping settings. In time responses, these differences are determined by changes in time period and magnitude of brake pressure during build-up and reduction process. In frequency responses, the brake pressure differences are occurred by the different change frequencies of brake pressure causing resonance at axle vibrations. Also, the changes in magnitude of resonance peaks have determined the effects of brake pressure changes on axle vibrations. As a result, it is possible to damp the oscillations by changing the magnitude and frequency of brake pressure by means of the damper settings during ABS-braking.     

Application of asymptotic iteration method to a deformed well problem

The asymptotic iteration method(AIM) is used to obtain the quasi-exact solutions of the Schr o¨dinger equation with a deformed well potential. For arbitrary potential parameters, a numerical aspect of AIM is also applied to obtain highly accurate energy eigenvalues. Additionally, the perturbation expansion, based on the AIM approach, is utilized to obtain simple analytic expressions for the energy eigenvalues.     

Structure of (2<Emphasis Type="Italic">E</Emphasis>)-Ethyl 2-((4-(cyanomethoxy)benzylidene)hydrazono)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate Studied by X-ray and DFT Calculations

The molecular structure of (2E)-ethyl 2-((4-(cyanomethoxy)benzylidene)hydrazono)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate was determined using X-ray diffraction. The crystals are triclinic: sp. gr. P1; Z = 2; the unit cell parameters a = 8.4747(7) Å, b = 8.9382(8) Å, c = 11.9913(10) Å. The title compound has two C–H···O type intramolecular hydrogen bonds, one C–H···O and one C–H···N type intermolecular hydrogen bonds. For theoretical calculations, the molecular structure was investigated by DFT/B3LYP method with 6-311G(d) and 6-311G(d, p) basis sets. The calculated and experumental results (bond lenghts, bond angles, and dihedral angles) were compared with each other. Total energy, dipole moment, and mulliken atomic charges were calculated using two different basis sets.     

Comparison of S, Pt, and Hf adsorption on NiAl(1 1 0)

First-principles periodic slab density-functional theory (DFT) calculations with a plane-wave basis are used to predict the properties of S, Pt, and Hf adsorption on NiAl(1 1 0). Stable adsorption sites are identified, and adsorbate binding energies and structures are predicted. We find that while S adsorbs in a threefold site, the metals prefer to adsorb in the Ni-Ni twofold bridge site. The latter finding is consistent with scanning tunneling microscopy experiments for adsorption of various transition metals on NiAl(1 1 0) by Ho and coworkers. S is predicted to easily diffuse between threefold sites. We find that Pt and Hf both induce significant changes in the local surface structure, changing twofold bridge sites into fourfold coordination sites by drawing next-nearest-neighbor atoms nearly equidistant with the nearest-neighbor atoms. We find Pt favors interaction with Al slightly more than Ni, while Hf shows a particularly strong affinity for Ni compared to Al. We also predict that Hf may diffuse one-dimensionally along Ni rows with a barrier of ≈0.6 eV.     

Synthesis and spectroscopic characterization of new Schiff bases containing the benzo-15-crown-5 moiety

New crown ether Schiff base derivatives were prepared by the condensation of 4'-formylbenzo-15-crown-5 or 4'-formyl-5'-hydroxybenzo-15-crown-5 with 1,2-bis(2-aminophenoxy)ethane. The structures of these new compounds were confirmed on the basis of elemental analysis, IR, (1)H- and (13)C-NMR, UV-Vis and mass spectroscopic data.     

Single-voxel proton MR spectroscopy in toluene abuse

Inhalation of toluene, which is an organic solvent, causes toxic encephalopathy characterized by cognitive impairment, cerebellar and extra-pyramidal symptoms. We studied cranial MR images and single-voxel MR spectroscopy of 22 toluene abusers and age-matched control subjects. The mean age of the abusers and mean duration of abuse were 18,1 years and 47 months, respectively. We got three MR spectra from the centrum semiovale, cerebellum and thalamus by using STEAM sequence with a TE value of 30 ms. N-acetyl aspartate (NAA)/Creatine (Cr), Choline (Cho)/Cr, myo-inositol (mI)/Cr peak integral ratios were calculated. NAA/Cr in the cerebellum and centrum semiovale of the abusers were significantly lower than those of the control subjects. mI/Cr in centrum semiovale and cerebellum were higher in toluene abusers. No significant difference was found in the metabolite ratios of the thalami. The association of NAA/Cr and mI/Cr ratios in cerebellum and centrum semiovale with the duration of abuse was significant. Normal level of NAA in thalamus, which was a neuron rich gray matter structure, might imply that toluene inhalation did not cause direct neuronal injury. Selective reduction of NAA and increased level of mI in white matter supported the theory of that axonopathy and gliosis were the main mechanisms of pathophysiology in chronic toluene encepholopathy. Insignificance of elevation of Cho/Cr ratios demonstrated that toluene inhalation did not cause active demyelination.     

An adjustable aperiodic model class of genomic interactions using continuous time Boolean networks (Boolean delay equations)

Following the complete sequencing of several genomes, interest has grown in the construction of genetic regulatory networks, which attempt to describe how different genes work together in both normal and abnormal cells. This interest has led to significant research in the behavior of abstract network models, with Boolean networks emerging as one particularly popular type. An important limitation of these networks is that their time evolution is necessarily periodic, motivating our interest in alternatives that are capable of a wider range of dynamic behavior. In this paper we examine one such class, that of continuous-time Boolean networks, a special case of the class of Boolean delay equations (BDEs) proposed for climatic and seismological modeling. In particular, we incorporate a biologically motivated refractory period into the dynamic behavior of these networks, which exhibit binary values like traditional Boolean networks, but which, unlike Boolean networks, evolve in continuous time. In this way, we are able to overcome both computational and theoretical limitations of the general class of BDEs while still achieving dynamics that are either aperiodic or effectively so, with periods many orders of magnitude longer than those of even large discrete time Boolean networks.