A description of ligand field effects in the Di-μ-Azido-Bis [{Azido(N,N-diethylethylenediamine)}Copper(II)] compound by the simple overlap model

We present a theoretical description of ligand field effects in the di-μ-azido- bis[{azido(N,N-diethylethylenediamine)} copper(II)] compound by the Simple Overlap Model. The ligand field Hamiltonian is expressed in terms of irreducible tensor operators for an assumed D3h site symmetry occupied by the copper ion. The ligand field parameters, calculated from the available structural data, indicate that the copper ion is under the influence of a very strong ligand field. The energy of the d-d absorption band is well reproduced phenomenologically by the model.

Preparation and thermal decomposition of solid-state cinnamates of lighter trivalent lanthanides

Some new compounds of cinnamic acid with lighter trivalent lanthanides were prepared in the solid state. The compounds have general formula ML3·H2O, where L is cinnamate (C6H5-CH=CH-COO-) and M is La, Ce, Pr, Nd or Sm. Thermogravimetry, derivative thermogravimetry, differential scanning calorimetry, infrared absorption spectra and X-ray diffraction powder patterns were used to characterize and to study the thermal stability and thermal decomposition of these compounds.

Drought tolerance of two field-grown clones of Coffea canephora

We compared tolerance to soil drought of two field-grown clones of Coffea canephora (clone 46, drought-sensitive; and clone 120, drought-tolerant). Under irrigation, there were no marked differences between the clones in water relation parameters, gas exchange and total leaf area. Under rainfed conditions, clone 46 showed osmotic adjustment and increased tissue rigidity. These adjustments, however, were incapable of preventing substantial decreases in xylem pressure potential. By contrast, clone 120 did not exhibit osmotic adjustment, but was able to increase tissue elasticity and to maintain xylem pressure potentials to a greater extent than clone 46 (despite having twice the total leaf area of this clone). Stomatal conductance was lowered by drought in clone 120 but not in clone 46. Carbon assimilation per unit leaf area in both clones remained unaffected under stress. Long-term water use efficiency (WUE), as estimated through carbon isotope discrimination, was consistently greater in clone 120 than in clone 46. Because of these traits, clone 120 was better able to postpone dehydration and to maintain whole-tree photosynthesis. It is proposed that these features should decisively contribute to buffer its productivity in drought-prone areas. © 2002 Elsevier Science Ireland Ltd. All rights reserved.

Thermal decomposition of palladium(ii) pyrazolyl complexes: Part II

Thermal behavior of pyrazolyl complexes [PdCl2(HPz)2] (1), [PdCl2(HdmPz)2] (2), [Pd(SCN)2(HPz) 2] (3), [Pd(SCN)2(HdmPz)2] (4), [Pd(N 3)2(HdmPz)2] (5), [Pd(PzNHCO)2] (6) and [Pd(dmPzNHCO)2] (7) (HPz=pyrazole, HdmPz=3,5-dimethylpyrazole) has been studied by TG and DTA. In general, the thermal stability of [PdX 2(HL)2] (HL=HPz, HdmPz) compounds varies in the following order: HdmPz>HPz as well, according to the trends X=Cl ->SOT->NNN-. Except for 5, the [PdX 2(HL)2] complexes showed higher thermal stability than the 6 and 7 chelates. No stable intermediates were isolated during the thermal decompositions because of the overlapping degradation processes. The final products of the thermal decompositions were identified as metallic palladium by X-ray powder diffraction. © 2005 Akadémiai Kiadó, Budapest.

Comparative studies of the sample decomposition of green and roasted coffee for determination of nutrients and data exploratory analysis

The contents of some nutrients in 35 Brazilian green and roasted coffee samples were determined by flame atomic absorption spectrometry (Ca, Mg, Fe, Cu, Mn, and Zn), flame atomic emission photometry (Na and K) and Kjeldahl (N) after preparing the samples by wet digestion procedures using i) a digester heating block and ii) a conventional microwave oven system with pressure and temperature control. The accuracy of the procedures was checked using three standard reference materials (National Institute of Standards and Technology, SRM 1573a Tomato Leaves, SRM 1547 Peach Leaves, SRM 1570a Trace Elements in Spinach). Analysis of data after application of t-test showed that results obtained by microwave-assisted digestion were more accurate than those obtained by block digester at 95% confidence level. Additionally to better accuracy, other favorable characteristics found were lower analytical blanks, lower reagent consumption, and shorter digestion time. Exploratory analysis of results using Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) showed that Na, K, Ca, Cu, Mg, and Fe were the principal elements to discriminate between green and roasted coffee samples. ©2007 Sociedade Brasileira de Química.

Heating rate and temperature effects on the BaTiO3 formation by thermal decomposition of (Ba,Ti) organic precursors during the Pechini process

Different thermal treatments for the synthesis of BaTiO3 powder obtained through the Pechini method were studied. The synthesis of BaTiO3 starts at 150 °C by the thermal dehydration of organic precursors. The usual inevitable formation of barium carbonate during the thermal decomposition of the precursor could be retarded at lower calcination temperatures and optimized heating rates. The organic precursors were treated at temperatures between 200 and 400 °C. Then, the samples were calcined at 700 and 800 °C for 4 and 2 h, respectively. The resulting ceramic powders were characterized by gravimetric and differential thermal analyses, X-ray powder diffraction and infrared spectroscopy. It was found that depending on the heating rate and final temperature of the thermal treatment, high amounts of BaCO3 and TiO2 could be present due to the high concentration of organics in the final calcination step. © 2007 Elsevier B.V. All rights reserved.

Cellular decomposition of quaternionic spherical space forms

We obtain an explicit cellular decomposition of the quaternionic spherical space forms, manifolds of positive constant curvature that are factors of an odd sphere by a free orthogonal action of a generalized quaternionic group. The cellular structure gives and explicit description of the associated cellular chain complex of modules over the integral group ring of the fundamental group. As an application we compute the Whitehead torsion of these spaces for any representation of the fundamental group. © 2012 Springer Science+Business Media B.V.

Kinetic parameters for thermal decomposition of supramolecular polymers derived from diclofenac-meglumine supramolecular adducts

Meglumine is an aminocarbohydrate able to form supramolecular adducts with organic acids. The recognition is based on hydrogen bonds and the structures resulting from the complexation have high solubility in water. This property has been exploited by the pharmaceutical industry in the improvement of existing drugs, and the successful example of this approach involves the poorly soluble non-steroidal anti-inflammatory drugs (NSAIDs). Investigation of the thermal behavior of adduct obtained from meglumine and the NSAID diclofenac revealed that a polymer-like material is formed from the self-assembly of diclofenac-meglumine adducts in the melt. This polymer showed a high molecular weight around 2.0×105kDa. The kinetic parameters for the thermal decomposition step of the polymer were determined by the Capela-Ribeiro non-linear isoconversional method. From data for the TG curves in nitrogen atmosphere and heating rates of 5, 10, 15 and 20°Cmin-1, the Eα and Bα terms could be determined, and consequently the pre-exponential factor, Aα, as well as the kinetic model, g(α). © 2012 Elsevier B.V.

Kinetic parameters for thermal decomposition of hydrazine

The propulsion of most of the operating satellites comprises monopropellant (hydrazine - N2H4) or bipropellant (monometilydrazine - MMH and nitrogen tetroxide) chemical systems. When some sample of the propellant tested fails, the entire sample lot shall be rejected, and this action has turned into a health problem due to the high toxicity of N2H 4. Thus, it is interesting to know hydrazine thermal behavior in several storage conditions. The kinetic parameters for thermal decomposition of hydrazine in oxygen and nitrogen atmospheres were determined by Capela-Ribeiro nonlinear isoconversional method. From TG data at heating rates of 5, 10, and 20 C min-1, kinetic parameters could be determined in nitrogen (E = 47.3 ± 3.1 kJ mol-1, lnA = 14.2 ± 0.9 and T b = 69 C) and oxygen (E = 64.9 ± 8.6 kJ mol-1, lnA = 20.7 ± 3.1 and T b = 75 C) atmospheres. It was not possible to identify a specific kinetic model for hydrazine thermal decomposition due to high heterogeneity in reaction; however, experimental f(α)g(α) master-plot curves were closed to F 1/3 model. © 2013 Akadémiai Kiadó, Budapest, Hungary.

Leaf-litter decomposition of the mangrove species Avicennia schaueriana, Laguncularia racemosa and Rhizophora mangle

This study evaluated the decomposition process of leaf litter from the main Brazilian mangrove species Avicennia schaueriana, Laguncularia racemosa and Rhizophora mangle. Senescent leaves were collected, dried and placed in nylon bags with different mesh sizes (fine: 2x2mm and coarse: 8x8mm). The bags were distributed over the sediment, and replicates of each species and mesh size were collected periodically over 4months. In the laboratory, the dry weight of the samples was measured, and the decomposition coefficient (k) for each species and mesh size was obtained over time. All species showed a rapid decomposition rate at the beginning of the experiment, followed by a slower but steady rate of decomposition over time. The rate of leaf litter decomposition was highest in A. schaueriana, intermediate in L. racemosa and lowest in R. mangle. The difference was mainly linked to the activity and abundance of detritivores, together with the different litter quality of the species, which determined their palatability and probably influenced the decomposition process.

Study of some volatile compounds evolved from the thermal decomposition of atenolol

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Study of magnetic field enhanced plasma immersion ion implantation in Silicon

A comparison between experimental measurements and numerical calculations of the ion current distribution in plasma immersion ion implantation (PIII) with external magnetic field is presented. Later, Silicon samples were implanted with nitrogen ion to analyze the effect on them. The magnetic field considered is essentially non-uniform and is generated by two magnetic coils installed on vacuum chamber. The presence of both, electric and magnetic field in PIII create a crossed ExB field system, promoting drift velocity of the plasma around the target. The results found shows that magnetized electrons drifting in ExB field provide electron-neutral collision. The efficient ionization increases the plasma density around the target where a magnetic confinement is formed. As result, the ion current density increases, promoting significant changes in the samples surface properties, especially in the surface wettability.

Effects of fluazuron (2.5 mg/kg) and a combination of fluazuron (3.0 mg/kg) + abamectin (0.5 mg/kg) on the reproductive parameters of a field population of Rhipicephalus (Boophilus) microplus on experimentally infested cattle

The current study assessed the deleterious effects of two formulations of fluazuron (2.5 mg/kg fluazuron and a combination of 3.0 mg/kg fluazuron + 0.5 mg/kg abamectin) on the reproductive parameters of engorged Rhipicephalus (Boophilus) micro plus females that naturally detached from experimentally infested cattle in two experiments. Based on the obtained results, it can be concluded that fluazuron (2.5 mg/ kg) showed deleterious effects only on the hatchability percentage in the period of 2-7 post-treatment days of this ectoparasite's engorged females. On the other hand, the fluazuron (3.0 mg/kg) + abamectin (0.5 mg/kg) combination presented harmful effects over reproductive parameters of this tick species. Further studies should be performed with a known tick population (reference susceptible strain) to determine the effect of these formulations on the reproductive parameters and to elucidate if this field population is fluazuron resistant. (C) 2014 Elsevier Ltd. All rights reserved.

Effect of the iron doping on the thermal decomposition of the polymeric precursor for the titanium dioxide powder synthesis

The Polymeric Precursor Method has proved suitable for synthesizing reactive powders using low temperatures of calcination, especially when compared with conventional methods. However, during the thermal decomposition of the polymeric precursor the combustion event can be releases an additional heat that raises the temperature of the sample in several tens of degrees Celsius above the set temperature of the oven. This event may be detrimental to some material types, such as the titanium dioxide semiconductor. This ceramic material has a phase transition at around 600 ° C, which involves the irreversible structural rearrangement, characterized by the phase transition from anatase to rutile TiO2 phase. The control of the calcination step then becomes very important because the efficiency of the photocatalyst is dependent on the amount of anatase phase in the material. Furthermore, use of dopant in the material aims to improve various properties, such as increasing the absorption of radiation and in the time of the excited state, shifting of the absorption edge to the visible region, and increasing of the thermal stability of anatase. In this work, samples of titanium dioxide were synthesized by the Polymeric Precursor Method in order to investigate the effect of Fe (III) doping on the calcination stages. Thermal analysis has demonstrated that the Fe (III) insertion at 1 mol% anticipates the organic decomposition, reducing the combustion event in the final calcination. Furthermore, FTIR-PAS, XRD and SEM results showed that organic matter amount was reduced in the Fe (III)-doped TiO2 sample, which reduced the rutile phase amount and increased the reactivity and crystallinity of the powder samples.