Lie properties of symmetric elements in group rings

Let * be an involution of a group G extended linearly to the group algebra KG. We prove that if G contains no 2-elements and K is a field of characteristic p, 0 2, then the *-symmetric elements of KG are Lie nilpotent (Lie n-Engel) if and only if KG is Lie nilpotent (Lie n-Engel). (C) 2008 Elsevier Inc. All rights reserved.

Structural and spectroscopic properties of the diazocarbene radical (CNN) and its ions CNN(+) and CNN(-): a high-level theoretical investigation

The diazocarbene radical, CNN, and the ions CNN(+) and CNN(-) were investigated at a high level of theory. Very accurate structural parameters for the states X(3)Sigma(-) and A(3)Pi of CNN, and X(2)Pi of both CNN(+) and CNN(-) were obtained with the UCCSD(T) method using correlated-consistent basis functions with extrapolations to the complete basis set limit, with valence only and also with all electrons correlated. Harmonic and anharmonic frequencies were obtained for all species and the Renner parameter and average frequencies evaluated for the Pi states. At the UCCSD(T)/CBS(T-5) level of theory, Delta(f)H(0 K) = 138.89 kcal/mol and Delta(f)H(298 K) = 139.65 kcal/mol were obtained for diazocarbene; for the ionization potential and the electron affinity of CNN, 10.969 eV (252.95 kcal/mol), and 1.743 eV (40.19 kcal/mol), respectively, are predicted. Geometry optimization was also carried out with the CASSCF/MRCI/CBS(T-5) approach for the states X(3)Sigma(-) A(3)Pi, and a(1)Delta of CNN, and with the CASSCF/MRSDCI/aug-cc-pVTZ approach for the states b(1)Sigma(+), c(1)Pi, d(1)Sigma(-), and B(3)Sigma(-), and excitation energies (T(e)) evaluated. Vertical energies were calculated for 15 electronic states, thus improving on the accuracy of the five transitions already described, and allowing for a reliable overview of a manifold of other states, which is expected to guide future spectroscopic experiments. This study corroborates the experimental assignment for the vertical transition X (3)Sigma(-) <- E (3)Pi.

Solvatochromism in Binary Mixtures: First Report on a Solvation Free Energy Relationship between Solvent Exchange Equilibrium Constants and the Properties of the Medium

We have employed UV-vis spectroscopy in order to investigate details of the solvation of six solvatochromic indicators, hereafter designated as ""probes"", namely, 2,6-diphenyl-4-(2,4,6-triphenylpyridinium-1-yl) phenolate (RB); 4-[(E)-2-(1-methylpyridinium-4-yl)ethenyl] phenolate, MePM; 1-methylquinolinium-8-olate, QB; 2-bromo-4-[(E)-2-(1-methylpyridinium-4-yl)ethenyl] phenolate, MePMBr, 2,6-dichloro-4-(2,4,6-triphenylpyridinium-1-yl) phenolate (WB); and 2,6-dibromo-4-[(E)-2-(1-methylpyridinium-4-yl)ethenyl] phenolate, MePMBr,, respectively. These can be divided into three pairs, each includes two probes of similar pK(a) in water and different lipophilicity. Solvation has been studied in binary mixtures, BMs, of water, W, with 12 protic organic solvents, S, including mono- and bifunctional alcohols (2-alkoxyethanoles, unsaturated and chlorinated alcohols). Each medium was treated as a mixture of S, W, and a complex solvent, S-W, formed by hydrogen bonding. Values of lambda(max) (of the probe intramolecular charge transfer) were converted into empirical polarity scales, E(T)(probe) in kcal/mol, whose values were correlated with the effective mole fraction of water in the medium, chi w(effective). This correlation furnished three equilibrium constants for the exchange of solvents in the probe solvation shell; phi(W/S) (W substitutes S): phi(S-W/W) (S-W substitutes W), and phi(S-W/S) (S-W substitutes S), respectively. The values of these constants depend on the physicochemical properties of the probe and the medium. We tested, for the first time, the applicability of a new solvation free energy relationship: phi = constant + a alpha(BM) + b beta(BM) + s(pi*(BM) + d delta) + p log P(BM), where a, b, s, and p are regression coefficients alpha(BM), beta(BM), and pi*(BM) are solvatochromic parameters of the BM, delta is a correction term for pi*, and log P is an empirical scale of lipophilicity. Correlations were carried out with two-, three-, and four-medium descriptors. In all cases, three descriptors gave satisfactory correlations; use of four parameters gave only a marginal increase of the goodness of fit. For phi(W/S), the most important descriptor was found to be the lipophilicity of the medium; for phi(S-W/W) and phi(S-W/S), solvent basicity is either statistically relevant or is the most important descriptor. These responses are different from those of E(T)(probe) of many solvatochromic indicators in pure solvents, where the importance of solvent basicity is usually marginal, and can be neglected.

Physical-chemical analysis of the cerebrospinal fluid of healthy dogs submitted to different storage periods and temperatures

Disfunções envolvendo o sistema nervoso são de grande importância na Medicina Veterinária, pois tratam-se de enfermidades de elevada incidência e com poucos subsídios auxiliares no seu diagnóstico, prognóstico e na avaliação de terapias empregadas. Ainda hoje, o diagnóstico baseia-se, em grande parte, no histórico e no exame clínico neurológico. Dessa forma, a análise dos constituintes do fluido cefalorraquidiano torna-se uma das poucas alternativas de acesso clínico ao sistema nervoso central (SNC). Mesmo com a grande utilidade do exame físico-químico e citoscópico do liquor na neurologia veterinária, poucos são os estudos sobre a estabilidade dos seus constituintes sob estocagem. Dessa forma, o presente trabalho teve como finalidade verificar a influência da temperatura e do tempo de conservação nas características físico-químicas do liquor de cães hígidos. Para tanto, foram coletadas amostras de LCR, através da punção da cisterna cerebelo-medular de cães clinicamente sadios, as quais foram submetidas à análise da densidade específica, do pH, da glicorraquia, das proteínas totais e das atividades das enzimas creatina quinase (CK) e aspartato aminotransferase (AST), após conservá-las em diferentes temperaturas (25°C, 4°C e -4°C) e por diferentes períodos de tempo (logo após a colheita, 24 horas, 48 horas, uma semana e um mês). Dentre os resultados obtidos, foi possível verificar, principalmente, que houve estabilidade dos parâmetros estudados por até um mês de estocagem nas amostras mantidas sob a temperaturas de congelamento de -4°C.

Modelling the effect of the physical and chemical characteristics of the materials used as casing layers on the production parameters of Agaricus bisporus

The aim of this research was to show the mathematical data obtained through the correlations found between the physical and chemical characteristics of casing layers and the final mushrooms' properties. For this purpose, 8 casing layers were used: soil, soil + peat moss, soil + black peat, soil + composted pine bark, soil + coconut fibre pith, soil + wood fibre, soil + composted vine shoots and, finally, the casing of La Rioja subjected to the ruffling practice. The conclusion that interplays in the fructification process with only the physical and chemical characteristics of casing are complicated was drawn. The mathematical data obtained in earliness could be explained in non-ruffled cultivation. The variability observed for the mushroom weight and the mushroom diameter variables could be explained in both ruffled and non-ruffled cultivations. Finally, the properties of the final quality of mushrooms were established by regression analysis.

Effects of soil management systems on soil microbial activity, bulk density and chemical properties

Este trabalho teve por objetivo estudar os efeitos de diferentes sistemas de uso e manejo na densidade do solo nas suas propriedades químicas e na atividade microbiana em um Latossolo Vermelho distrófico (Oxisol). As amostras de solo foram retiradas de parcelas dos seguintes tratamentos: cerrado denso preservado, pastagem de Brachiaria decumbens degradada (20 anos), plantio direto com rotação de culturas (8 anos) e sistema convencional com rotação de culturas anuais (10 anos). O delineamento experimental utilizado foi o inteiramente casualizado, com dez repetições. O uso contínuo de plantio direto resultou em mais alta taxa de C-biomassa microbiana e menor perda relativa de carbono pela respiração basal, podendo determinar, desta forma, maior acúmulo de C no solo a longo prazo. Proporcionou, ainda, melhoria na densidade aparente e nas propriedades químicas do solo. Assim, o sistema plantio direto, com manejo de culturas, mostrou ser uma alternativa para a conservação e manutenção das condições físicas e do potencial produtivo de solos de cerrado.

Revegetation and Soil Management Effects on Chemical Properties of a Saprolite Resulting from Deep Soil Removal

During the building of a hydroelectrical power plant at Ilha Solteira in the Parana River (Brazil), materials of a highly weathered soil Oxisol were extracted from a depth between 5 and 8 m for engineering works. This resulted in an abandoned depression area. The topsoil was not salvaged and the open pit was not backfilled, and as result vegetation hardly or not at all recovered. on the residual saprolite materials, an experimental field was established to assess different soil rehabilitation treatments. Field experiments were initiated in 1992. After soil tillage, two different crops and three different liming strategies were compared, giving six combinations. In addition, two uncropped control treatments, tilled and no-tilled, were established so that a total of eight treatments were assessed. The experimental design consisted of four randomized experimental blocks, which included a total of 32 plots with a plot area of 100 m(2). This experiment was used to study the effectiveness of the soil-reclamation treatments after a 9-year period. Soil samples were taken at three different depths (0-10, 10-20, and 20-40 cm), and they were analyzed routinely for pH, organic-matter content, and cation exchange capacity (CEC). Revegetation of the abandoned saprolite material increased soil organic-matter content and cation exchange capacity (CEC), and to some extent small differences between treatments were evidenced. Exchangeable calcium (Ca) and magnesium (Mg) recovered faster than organic-matter content. A significant linear relationship was found between organic-matter content and CEC, suggesting continued addition of organic material will further approach the value of these parameters to those levels corresponding to natural soils under "Cerrado" vegetation.

Chemical properties of soils treated with biological sludge from gelatin industry

O impacto dos resíduos orgânicos agroindustriais no ambiente pode ser reduzido com o seu uso agrícola. do ponto de vista da fertilidade do solo, o que se deseja com a aplicação dos resíduos é aumentar o teor de matéria orgânica e fornecer nutrientes para as plantas. Neste trabalho, objetivou-se avaliar o efeito do lodo biológico de indústria de gelatina em atributos químicos de dois Argissolos Vermelho-Amarelos (PVA-arenoso e PVA-textura média) e de um Latossolo Vermelho (LV-argiloso). O experimento foi conduzido por 120 dias em laboratório, em delineamento inteiramente casualizado e esquema fatorial combinando os três solos e seis doses de lodo (0, 100, 200, 300, 400 e 500 m³ ha-1), com três repetições. A aplicação de até 500 m³ ha-1 de lodo diminui a acidez do solo e aumenta a CTC efetiva e a disponibilidade de N, Ca, Mg e P, sem ultrapassar o limite de tolerância para Na. O aumento do teor de bases, maior do que o da CTC efetiva, indica que a maior parte dos cátions adicionados pelo lodo permanece em solução e pode ser perdida por lixiviação.

Carbon dioxide emission related to chemical properties of a tropical bare soil

In this work the relationship between CO2 emissions and the soil properties of a tropical Brazilian bare soil was investigated. Carbon dioxide emissions were measured on three different days at different soil temperature and the soil moisture conditions, and the soil properties were investigated at the same points that emissions were measured. The soil CO2 emissions were correlated to carbon content, cation exchange capacity and free iron content at the 65 points studied in an area of 100 x 100 m located in southern Brazil. (C) 2000 Elsevier B.V. Ltd. All rights reserved.

Influence of biosolids rate on chemical properties of an oxisol in São Paulo, Brazil

Organic residues may cause major health and environmental problems. This is the case in our study area, where more than 10 billion L per year of residential and industrial waste are produced. Land application of biosolids can be an economical solution by recycling waste and can provide valuable fertilizer if used correctly. The aim of this work was to study the effect of biosolids on the chemical properties of an Oxisol. The experiment was located at Ilha Solteira northwest of São Paulo State, Brazil. The soil was cropped to Sorghum bicolor.The field experimental design consisted of random blocks with six treatments and four replications of each treatment. Biosolids were surface applied to four treatments at rates of 5, 10, 20, and 40 Mg ha(-1) on a dry matter basis; in addition, a treatment with mineral fertilizer and a control were included. One year after biosolids application, soil samples were taken at 0-10, 10-20, and 20-40 cm. Organic matter content (Walkley-Black) and pH (CaCl2) were routinely determined. Cation exchange capacity, exchangeable bases (Ca, Mg, K), and P were determined by exchange resin extraction. No significant differences in any of the analyzed properties were found below the 20 cm depth. Extractable phosphorus (P) and potassium (K) increased with increasing biosolids rate in the top 20 cm, whereas calcium (Ca) and (Ma) magnesium content were not significantly influenced by biosolids. Soil pH decreased with increasing biosolids application. The sewage sludge application did not influence the sorghum production in the first year of culture, under unfavorable soil moisture conditions, but it influenced the dry matter.

Electronic and structural properties of the (10(1)over-bar0) and (11(2)over-bar0) ZnO surfaces

The structural and electronic properties of ZnO (10 (1) over bar0) and (11 (2) over bar0) surfaces were investigated by means of density functional theory applied to periodic calculations at B3LYP level. The stability and relaxation effects for both surfaces were analyzed. The electronic and energy band properties were discussed on the basis of band structure as well as density of states. There is a significant relaxation in the (10 (1) over bar0) as compared to the (11 (2) over bar0) terminated surfaces. The calculated direct gap is 3.09, 2.85, and 3.09 eV for bulk, (10 (1) over bar0), and (11 (2) over bar0) surfaces, respectively. The band structures for both surfaces are very similar.

Physico-chemical properties of MTA and a novel experimental cement

Aim: To evaluate the release of calcium ions, pH and conductivity of a new experimental dental cement (EC) and to compare them with those of mineral trioxide aggregate (MTA-Angelus). Methodology: Five samples of each cement were prepared using plastic tubes 1 mm in diameter and 10 mm long. Each sample was sealed in a test tube containing 10 mL deionized water which was analysed after 24, 48, 72, 96, 192, 240 and 360 h for pH, electrical conductivity and calcium release. The concentration of calcium ions was obtained through atomic absorption spectroscopy technique. The data were analysed statistically using the analysis of variance (ANOVA) and the Student's test (t-test). Results: The pH of the storage solutions was not affected by the material and the interaction of material with time (P > 0.05). However, the time of immersion was significant (P < 0.01) for both materials. For the electric conductivity and calcium release, the interaction of material with time was statistically significant (P < 0.01), indicating that EC and MTA-Angelus did not behave in a similar manner. Conclusions: The experimental cement released calcium and increased the pH of the storage solutions in a similar manner to MTA-Angelus. However, EC showed significantly higher calcium release than commercial MTA-Angelus after 24 h. © 2005 International Endodontic Journal.

Influence of storage on chemical properties of different peats

The change of chemical properties during storage of 12 fertilized bagged peats of different origins at high temperature was investigated. The average values for N, soluble salts and EC decreased significantly, whereas the pH as well as P and K contents changed only slightly. Differences in N were observed between the peats. The contents of CAT soluble N in the two dredged frozen black peats did not change during storage. However, a decrease in N was found when water extraction was used. In the case of the 10 white peats the loss of N differed considerably, but it was independent of the method of peat harvest. The N decrease resulted mainly from reduced levels of NO3-N. Substances damaging to plant growth do not seem to have developed during storage as shown by trials on the germination and the growth of Chinese cabbage. There were no significant differences between the peats, whether stored or not.

Chemical properties of different peats depending on origin and analytical method

The chemical properties of 12 different peats have been analyzed by methods from VDLUFA (German Association of Agricultural Analysis and Research Institutes) and EN (European Committee for Standardization, Technical Committee 223: Soil improvers and growing media). The analyses of pH (CaCl 2), contents of salts (H 2O), nutrients (CAT), and Na and Cl (H 2O) were carried out by VDLUFA methods, while those of pH (H 2O), EC (H 2O), nutrients (CAT), Na (CAT and H 2O) and Cl (H 2O) according to EN. Ten milled or sod white peats and two dredged frozen black peats of different degrees of decomposition were used. All of them contained high amounts of Mg, while black peats were additionally high in N, Fe and Zn. The pH-values were about the same for all peats. N- and Mn-contents depended most on peat origin. Analytical values of both CAT-methods were in the same range. Extraction with H 2O (EN) as compared to CAT (EN) resulted in considerably lower values.

Optical properties of the MoO3-TiO2 particulate system and its use as a ceramic pigment

Mo-doped TiO2 powders were prepared using a dry mixture of TiO2 and MoO3 oxides with several compositions, followed by a calcination step at several temperatures. The resulting oxide system develops yellow and green tones. The XRD patterns showed only traces of MoO 3; however, EDS results, combined with TG/DTA data, confirmed the presence of molybdenum ions, suggesting that the changes in optical properties of the oxide system is due to the incorporation of Mo ions into the TiO 2 matrix, substituting Ti+4 with Mo+6 ions. The band gap decreased with increasing of MoO3 content; on the other hand, the band gap reached a maximum value at about 850°C to 910°C when plotted as a function of the calcination temperature. The glazes produced showed that the oxide system under study is a potential material for use as abinary ceramic pigment. Copyright © 2013 Taylor & Francis Group, LLC.