A Theoretical investigation of a potential high energy density compound 3,6,7,8-tetranitro-3,6,7,8-tetraaza-tricyclo[3.1.1.1(2,4)]octane

The B3LYP/6-31G (d) density functional theory (DFT) method was used to study molecular geometry, electronic structure, infrared spectrum (IR) and thermodynamic properties. Heat of formation (HOF) and calculated density were estimated to evaluate detonation properties using Kamlet-Jacobs equations. Thermal stability of 3,6,7,8-tetranitro-3,6,7,8-tetraaza-tricyclo [3.1.1.1(2,4)]octane (TTTO) was investigated by calculating bond dissociation energy (BDE) at the unrestricted B3LYP/6-31G(d) level. Results showed the N-NO2 bond is a trigger bond during the thermolysis initiation process. The crystal structure obtained by molecular mechanics (MM) methods belongs to P2(1)/C space group, with cell parameters a = 8.239 Å, b = 8.079 Å, c = 16.860 Å, Z = 4 and r = 1.922 g cm-3. Both detonation velocity of 9.79 km s-1 and detonation pressure of 44.22 GPa performed similarly to CL-20. According to the quantitative standards of energetics and stability, TTTO essentially satisfies this requirement as a high energy density compound (HEDC).

Method for determining the photocatalytic potential of portland cement mortar containing TiO2 for decomposing the pollutant nitrogen monoxide

Photocatalytic materials can minimize atmospheric pollution by decomposing certain organic and inorganic pollutants using sunlight as an energy source. In this paper, the development of a methodology to measure the photocatalytic potential of mortar containing TiO2 nanoparticles is reported. The results indicate that up to 40% of NOx can be degraded by Portland cement mortar containing 30-50% of TiO2, which validates the method developed for evaluating the photocatalytic potential of materials.

Hentriacontane: a leaf hydrocarbon from Syzygium jambos with stimulatory effects on the germination of urediniospores of Puccinia psidii

A crude Sohxlet extract from leaves of Syzygium jambos was sequentially fractionated using a silica gel flash column. A bioassay based on the numbers of urediniospores of Puccinia psidii that germinated in 2% water agar detected an active stimulant of germination when the fraction eluted with 100% n-hexane was used. The active fraction induced up to 88% increase in germination when added to a spore suspension in mineral oil. The active fraction was characterized as a hydrocarbon by ¹H nuclear magnetic resonance, 13C nuclear magnetic resonance, and infrared analysis. Gas chromatography-mass spectrometry analysis indicated that the fraction was a long-chain 436 MW hydrocarbon with corresponding to C31H64, namely hentriacontane. This is the first time such a compound proved to be involved with stimulation of fungal spore germination. These results may contribute to better understanding the infection process of rusts.

Potential of non-pathogenic Fusarium oxysporum isolates for control of Fusarium wilt of tomato

This study was done to evaluate the efficiency of non-pathogenic Fusarium oxysporum isolates (141/3, 233, 233/1, 245, 245/1, 251, 251/2, 251/5, and 257) in controlling vascular wilt caused by F. oxysporum f. sp. lycopersici, race 2 (isolates C-21A, TO11, and TO245) in tomato (Lycopersicon esculentum) cv. Viradoro seedlings. In order to determine the effect of non-pathogenic F. oxysporum isolates in tomato plants, the root system of 30-day-old seedlings was immersed in conidial suspensions (10(6) ml-1) of each isolate and the seedlings were transplanted to a cultivation substrate. Thirty-five days after transplanting it was observed that the non-pathogenic F. oxysporum isolates were not pathogenic to the cv. Viradoro nor did they affect seedling development. The efficiency of the non-pathogenic F. oxysporum isolates in controlling Fusarium wilt was determined by immersing the tomato seedling roots in the conidial suspension (10(6) ml-1) of each isolate and then transplanting them into substrates previously infested with isolates of F. oxysporum f.sp. lycopersici, race 2 (10(5) conidia ml-1 of substrate). Evaluations were performed 35 days after transplanting, for severity in scale with 1=healthy plant to 6=dead plant or plant showing vessel browning and wilted leaves up to the leader shoot and seedling height. The non-pathogenic F. oxysporum isolates were efficient in reducing the severity of the disease and maintaining normal plant development. These results provide evidence of the antagonistic activity of non-pathogenic F. oxysporum isolates in controlling vascular wilt caused by F. oxysporum f. sp. lycopersici race 2 in tomato.

Allelopathic potential and systematic evaluation of secondary compounds in extracts from roots of Canavalia ensiformis by capillary electrophoresis

Organic extracts were obtained from roots of Canavalia ensiformis and evaluated for allelopathic potential on the germination of the weed seeds: Mimosa pudica, Cassia tora and Cassia occidentalis showing a strong allelopathic potential. After that, a systematic study of these crude extracts was made using specific protocols developed in capillary electrophoresis (CE) in order to determine some classes of secondary metabolites. Capillary electrophoresis protocols were highly specific, which makes it possible to identify 5 classes of compounds using the same crude extract samples and analyze them fartly. Some of the compounds identified show activity in the inhibition of seeds germination.

Avaliação do desempenho analítico do método de determinação de TPH (Total Petroleum Hydrocarbon) por detecção no infravermelho

No presente trabalho os parâmetros de desempenho (validação intralaboratorial) da metodologia de determinação de TPH (Total Petroleum Hydrocarbons) foram determinados por detecção na região do infravermelho com o equipamento da Infracal TOG/TPH, visando aplicação em amostras de areia contaminadas com petróleo. Os ensaios foram realizados utilizando Óleo Marine Fuel 380, com densidade igual 0,987 g cm-3 e viscosidade de 5313 cP a 20°C. Este óleo foi fornecido pelo Centro de Pesquisa da Petrobrás (CENPES/PETROBRÁS/RJ), sendo o mesmo óleo derramado no acidente ocorrido em janeiro de 2000, na Baia de Guanabara, RJ, quando 1.300 m3 vazaram do duto que interliga a REDUC (Refinaria Duque de Caxias, RJ) ao terminal da Ilha d’Água/RJ, atingindo praias. Os resultados da validação indicaram que o desempenho da metodologia foi favorável à aplicação que se destina. Entre os parâmetros metrológicos obtidos neste trabalho, o limite de detecção do método foi de 4,06 mg L-1, consideravelmente inferior à faixa de concentração normalmente obtida para amostras em tais situações.

Bound state solutions of schrödinger equation for a more general exponential screened coulomb potential via Nikiforov-Uvarov method

The arbitrary angular momentum solutions of the Schrödinger equation for a diatomic molecule with the general exponential screened coulomb potential of the form V(r) = (- a / r){1+ (1+ b )e-2b } has been presented. The energy eigenvalues and the corresponding eigenfunctions are calculated analytically by the use of Nikiforov-Uvarov (NU) method which is related to the solutions in terms of Jacobi polynomials. The bounded state eigenvalues are calculated numerically for the 1s state of N2 CO and NO

Potential impact of the global climate changes on the spatial distribution of areas of risk for the occurrence of eucalyptus rust in Brazil

Rust, caused by Puccinia psidii, is one of the most important diseases affecting eucalyptus in Brazil. This pathogen causes disease in mini-clonal garden and in young plants in the field, especially in leaves and juvenile shoots. Favorable climate conditions for infection by this pathogen in eucalyptus include temperature between 18 and 25 ºC, together with at least 6-hour leaf wetness periods, for 5 to 7 consecutive days. Considering the interaction between the environment and the pathogen, this study aimed to evaluate the potential impact of global climate changes on the spatial distribution of areas of risk for the occurrence of eucalyptus rust in Brazil. Thus, monthly maps of the areas of risk for the occurrence of this disease were elaborated, considering the current climate conditions, based on a historic series between 1961 and 1990, and the future scenarios A2 and B2, predicted by IPCC. The climate conditions were classified into three categories, according to the potential risk for the disease occurrence, considering temperature (T) and air relative humidity (RH): i) high risk (18 < T < 25 ºC and RH > 90%); ii) medium risk (18 < T < 25 ºC and RH < 90%; T< 18 or T > 25 ºC and RH > 90%); and iii) low risk (T < 18 or T > 25 ºC and RH < 90%). Data about the future climate scenarios were supplied by GCM Change Fields. In this study, the simulation model Hadley Centers for Climate Prediction and Research (HadCm3) was adopted, using the software Idrisi 32. The obtained results led to the conclusion that there will be a reduction in the area favorable to eucalyptus rust occurrence, and such a reduction will be gradual for the decades of 2020, 2050 and 2080 but more marked in scenario A2 than in B2. However, it is important to point out that extensive areas will still be favorable to the disease development, especially in the coldest months of the year, i.e., June and July. Therefore, the zoning of areas and periods of higher occurrence risk, considering the global climate changes, becomes important knowledge for the elaboration of predicting models and an alert for the integrated management of this disease.

Ramularia areola sporulation potential in Brazilian cotton

Ramularia blight, caused by Ramularia areola, is one of the most important diseases affecting cotton crop in Brazil. For its effective control, 5-9 fungicide applications on susceptible cultivars are necessary. The aim of the present study was to evaluate, in vitro and in vivo, the sporulation potential of R. areolaisolates from different Brazilian regions at distinct temperatures. Spore production was assessed in the laboratory and under green house conditions by using leaves from plants of eight cotton cultivars. The in vitro results indicated that the potential of spore production was dependent on temperature. Maximum sporulation of the fungus occurred at 17°C for isolates from São Paulo State and 23°C for isolates from Goiás and Mato Grosso States. In the in vivo study, there was a variation in spore production according to the cultivar and the isolate. Most isolates showed to be highly aggressive on cultivars FM966 LL and DELTAOPAL. The obtained results suggest a more rational use of fungicides and cultivars with decreased fungal sporulation and can form the basis for further studies of the pathogenic variability of this fungus in cotton crops in Brazil. This is the first report on the sporulation potential of Brazilian R. areola isolates.

EVALUATION OF THE POTENTIAL OF SEED RAIN AS AN ALTERNATIVE FOR FOREST RESTORATION IN PERMANENT PRESERVATION AREAS1

ABSTRACT The ecological restoration of degraded areas using seeds collected in forest remnants has shown significant results. This study was developed to verify the potential of seed rain to regenerate forest fragments of a Permanent Preservation Area (PPA) in the Apa River Basin which is located in the southwestern portion of the Mato Grosso do Sul state, Brazil. To develop the study, we installed 25 collectors measuring 1 m2 each, which were systematically distributed on an area of 1.5ha. Seed gathering was conducted in a monthly basis throughout the year of 2013. A total of 26.411 propagules were identified and distributed among 50 species, 45 genera and 32 families. In terms of the propagules distribution, 70.51% were identified as trees, 22.8% as lianas, 6.5% as shrubs, 0.1 as herbaceous, 0.05% as palm and 0.05% could not be classified. The value for the Shannon Diversity Index was (H') = 1.67 and the Pielou Evenness index was (J) = 0.42. These results indicate that the seeds rain has low species diversity with the abundance of a few species. The overall results suggest that seed rain can be a potential technique for restoration of the PPAs and other forested areas. However, it is necessary to enhance the diversity of tree species.

Estimation of the potential evapotranspiration by a simplified penman method

The numerous methods for calculating the potential or reference evapotranspiration (ETo or ETP) almost always do for a 24-hour period, including values of climatic parameters throughout the nocturnal period (daily averages). These results have a nil effect on transpiration, constituting the main evaporative demand process in cases of localized irrigation. The aim of the current manuscript was to come up with a model rather simplified for the calculation of diurnal daily ETo. It deals with an alternative approach based on the theoretical background of the Penman method without having to consider values of aerodynamic conductance of latent and sensible heat fluxes, as well as data of wind speed and relative humidity of the air. The comparison between the diurnal values of ETo measured in weighing lysimeters with elevated precision and estimated by either the Penman-Monteith method or the Simplified-Penman approach in study also points out a fairly consistent agreement among the potential demand calculation criteria. The Simplified-Penman approach was a feasible alternative to estimate ETo under the local meteorological conditions of two field trials. With the availability of the input data required, such a method could be employed in other climatic regions for scheduling irrigation.

Spatial variability of the rainfall erosive potential in the State of Mato Grosso do Sul, Brazil

Information about rainfall erosivity is important during soil and water conservation planning. Thus, the spatial variability of rainfall erosivity of the state Mato Grosso do Sul was analyzed using ordinary kriging interpolation. For this, three pluviograph stations were used to obtain the regression equations between the erosivity index and the rainfall coefficient EI30. The equations obtained were applied to 109 pluviometric stations, resulting in EI30 values. These values were analyzed from geostatistical technique, which can be divided into: descriptive statistics, adjust to semivariogram, cross-validation process and implementation of ordinary kriging to generate the erosivity map.Highest erosivity values were found in central and northeast regions of the State, while the lowest values were observed in the southern region. In addition, high annual precipitation values not necessarily produce higher erosivity values.

Measurement systems of soil water matric potential and evaluation of soil moisture under different irrigation depths

The development of new methodologies and tools that enable to determine the water content in soil is of fundamental importance to the practice of irrigation. The objective of this study was to evaluate soil matric potential using mercury tensiometer and puncture digital tensiometer, and to compare the gravimetric soil moisture values obtained by tensiometric system with gravimetric soil moisture obtained by neutron attenuation technique. Four experimental plots were maintained with different soil moisture by irrigation. Three repetitions of each type of tensiometer were installed at 0.20 m depth. Based on the soil matric potential and the soil water retention curve, the corresponding gravimetric soil moisture was determined. The data was then compared to those obtained by neutron attenuation technique. The results showed that both tensiometric methods showed no difference under soil matric potential higher than -40 kPa. However, under drier soil, when the water was replaced by irrigation, the soil matric potential of the puncture digital tensiometer was less than those of the mercury tensiometer.

Soil water potential during different phenological phases of coffee irrigated by center pivot

Irrigation management can be established, considering the soil water potential, as the limiting factor for plant growth, assuming the soil water content between the field capacity and the permanent wilting point as available water for crops. Thus, the aim of this study was to establish the soil water potential interval during four different phenological phases of coffee irrigated by center pivot. The experiment was set at the experimental area of the Engineering Department at the Federal University of Lavras, in Brazil. The coffee variety planted is designated as Rubi, planted 0.8 meters apart, with rows spaced 3.5 meters apart. The treatments corresponded to the water depths applied based on different percentages of Kc and reference evapotranspiration (ET0) values. Sensors were used to measure the soil water potential interval, installed 25 centimeters depth. In order to compare the results, it was considered as the best matric potential the one that was balanced with the soil water content that resulted in the largest coffee productivity. Based on the obtained results, we verified that in the phases of fruit expansion and ripening, the best results were obtained, before the irrigations, when the soil water potential values reached -35 and -38 kPa, respectively. And in the flowering, small green and fruit expansion phases, when the values reached -31 and -32 kPa, respectively.