Intensification of nitrous acid oxidation

An alternative solution to the reduction of a discharge of residual nitric oxide and nitrogen dioxide into atmosphere has been proposed. Instead of using methane or ammonia for SCR or gas absorption into alkali solutions, which are the most popular treatment methods of tail gases, now the use of powerful oxidant—ozone capable of transforming nitrous acid and nitric oxides into nitrogen of the highest oxidation level—could be employed for this purpose. As the intensive oxidation and ozonation of nitrous acid is the heterogeneous gas-liquid process, the solubility of oxygen and ozone in HNO₂/HNO₃ aqueous solution was necessary to be determined. Variations of reaction rates depending on temperature, ozone dose and nitrous and nitric acid concentrations were studied experimentally. The kinetic model of the reactions, 2HNO₂+O₂→2HNO₃ and HNO₂+O₃→O₂+HNO₃, were proposed and the kinetic parameters (rate constants and activation energies) were estimated on the basis of experimental data in semi-batch laboratory gas-liquid contactor with the liquid phase drawn from an absorption column in the nitric acid plant. The determined kinetic parameters were then used in designing and modeling of the oxidation of nitrous acid using ozone-oxygen mixture in a continuous bubble column. The model consists of mass transfer kinetic equations and material balance equations for the gas and liquid phases. The co-current flow of gas and liquid phases and the complex kinetics of chemical reaction in the liquid phase were taken into account. The variation of the following process conditions, flow rate, compositions of the gas and liquid phases, temperature, and pressure in the bubble column of different diameters and heights, were studied in numerical solutions of the proposed model.     

From Water Poverty to Water Prosperity—A More Participatory Approach to Studying Local Water Resources Management

The Water Poverty Index (WPI), a tool designed for integrated analysis of water issues, was set-up in a community in Madhya Pradesh, India through a transparent and participatory process. Though the aim of the WPI is to primarily use existing statistical data, quantitative information from census and local records was combined with qualitative data from community interviews and participatory exercises. The inclusion of community chosen indicators and the adjustment of values so that higher numbers represent water prosperity rather than water poverty, led to the Water Prosperity Index (WPI⁺). The WPI?⁺?score was contrasted with the WPI at community level. It was also calculated for two community areas with different caste and socio-economic characteristics and weighted separately according to water issues prioritized by men and women. The WPI?⁺?revealed a great difference in water access between the two areas and in prioritized issues between men and women illustrating the importance of appropriate spatial representation and gender sensitive assessments for revealing important disparities. Results also showed that highly aggregated data hide these differences making it more difficult to target the most vulnerable groups when planning measures to increase equitable water allocation. While quantitative data reveal an important perspective of the water situation, qualitative data about adequacy of resources, services or institutions, improve understanding of which issues to prioritize. A valid and useful community water index must be based on representative participation, transparency and local influence on the methodology and subsequent results.     

No, It Is Not Possible to Be Schizophrenic Yet Neuropsychologically Normal.

Cognitive impairment is well documented in schizophrenia, though some reports have been interpreted to suggest that it is possible to have schizophrenia without neuropsychological impairment. The authors tested this by comparing the neuropsychological profiles of closely matched patients with schizophrenia and healthy comparison participants. Sixty-four patients with schizophrenia and 64 healthy comparison cases, matched to within 3 Full-Scale IQ points, were tested using the Wechsler Adult Intelligence Scale (3rd ed.; D. Wechsler, 1997b) and the Wechsler Memory Scale (3rd ed.; D. Wechsler, 1997c). Neuropsychological profiles for these groups were markedly different, with the group of patients with schizophrenia exhibiting performance deficits in memory and speeded visual processing but superior verbal comprehension and perceptual organization relative to the group of healthy comparison participants matched on Full-Scale IQ. Thus, scoring in the normal range does not preclude neuropsychological abnormality in schizophrenia, confirming that neuropsychological impairment is a core feature of the illness. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Curcumin Loaded Nanocarriers with Varying Charges Augmented with Electroporation Designed for Colon Cancer Therapy

(1) Background: The size and surface charge are the most significant parameters of nanocarriers that determine their efficiency and potential application. The poor cell uptake of encapsulated drugs is the main limitation in anticancer treatment. The well-defined properties of nanocarriers will enable to target specific tissue and deliver an active cargo. (2) Methods: In the current study, poly(D,L -lactide) (PLA) nanocarriers loaded with curcumin (CUR) and differing surface charge were evaluated for transport efficacy in combination with electroporation (EP) in dependence on the type of cells. The obtained CUR-loaded nanoparticles with diameters ranging from 195 to 334 nm (derived from dynamic light scattering (DLS)) were characterized by atomic force microscopy (AFM) (morphology and shape) and Doppler electrophoresis (ζ-potential) as well as UV-vis spectroscopy (CUR encapsulation efficiency (about 90%) and photobleaching rate). The drug delivery properties of the obtained PLA nanocarriers enhanced by electroporation were assessed in human colon cancer cells (LoVo), excitable normal rat muscle cells (L6), and free of voltage-gated ion channels cells (CHO-K1). CLSM studies, viability, and ROS release were performed to determine the biological effects of nanocarriers. (3) Results: The highest photodynamic activity indicated anionic nanocarriers (1a) stabilized by C₁₂(COONa)₂ surfactant. Nanocarriers were cytotoxic for LoVo cells and less cytotoxic for normal cells. ROS release increased in cancer cells with the increasing electric field intensity, irradiation, and time after EP. Muscle L6 cells were less sensitive to electric pulses. (4) Conclusions: EP stimulation for CUR-PLA nanocarriers transport was considered to improve the regulated and more effective delivery of nanosystems differing in surface charge.     

Electronic structure and nonlinear optical properties of model push-pull polyenes with modified indanone groups: a theoretical investigation

Several model polyenes with modified indanone groups were studied by means of density functional theory (DFT) B3LYP/6-31G*, ab initio HF/3-21G* and semiempirical AM1 methods. We investigated the effect of several substituents upon the relationship between the structure, spatial distribution of the highest occupied and the lowest unoccupied pi-MOs, a concept of the global softness and the global hardness as well as both linear and nonlinear polarizabilities for the set of pi-electron chromophores represented by the short-chain model polyene (butadiene) carrying out p-methoxyphenyl group on the one end and several modified indanone groups on the opposite end of the molecule. As probing endocyclic groups used to modify the structure of indanone the following substituents: > CH2; > C=O; > SO2, > C=CH(NO2) and > C=C(CN)2 were selected. The cubic relationship between the polarizability and the global softness was found. The highest polarizabilities (alpha, beta, gamma) are predicted for the derivatives with > C=C(CN)2 group. It was found that the value of beta depends mainly on the difference between dipole moments in the excited and ground states of the molecules. In the case of > SO2 group the results of AMI calculations significantly deviate from relationships found for other derivatives. Experimental IR and Raman spectra of newly synthesized indandione derivative of cinnamaldehyde were compared with computed ones.     

A method of NOx reduction during the combustion of oil

The present paper deals with a new method of reducing the emission of NO_x during the combustion of oil, making use of bifractional atomization. Theoretical investigations have shown the possible reducing role of large droplets. This theory was verified on a test stand with a power rating of 50 kW. The results obtained confirmed the abatement of the emission of NO_x by about 20–30% without any significant increase of the CO emission. The method suggested in this paper may be applied together with other methods of decreasing the NO_x emission.     

2-azaallylic rearrangement in homogeneous systems

In this work we present mechanism of the base-catalyzed 2-azaallylic rearrangement in homogeneous media. Detailed 2-azaallylic rearrangement studies have shown that tautomerism of derivatives of benzylidenebenzhydrylamines and N-fluorenylidenebenzylamines is not adequately encomposed by the Hammet equation and the equilibrium constant in the case of studied derivatives depends on the electronic as well as steric factors of the azaallylic system substituents. The presence of steric interactions which influence the equilibrium state has been additionally confirmed by means of crystallographic and molecular mechanics data as well as NOE studies. This revised version was published online in August 2006 with corrections to the Cover Date.     

Determination of the Initiating Capability of Detonators Containing TKX‐50, MAD‐X1, PETNC,DAAF, RDX,HMX or PETN as a Base Charge,by Underwater Explosion Test

A comprehensive investigation to determine the initiation power of detonators containing as a base charge the novel explosives: dihydroxylammonium 5,5′‐bis(tetrazolate‐1N‐oxide) – TKX‐50, dihydroxylammonium 5,5′‐bis(3‐nitro‐1,2,4‐triazolate‐1N‐oxide) – MAD‐X1, pentaerythritol tetranitrocarbamate – PETNC and 3,3′‐diamino‐4,4′‐azoxyfurazan – DAAF in comparison with RDX, HMX and PETN was undertaken. In order to estimate the initiation power of the detonators, the underwater initiating capability test was used. The total energy as a sum of the primary shock wave energy and the bubble gas energy was determined for each of these explosives, by measuring the overpressure of the shock waves generated in water. Moreover, the complete synthesis for novel explosives is presented. The thermal behavior of the explosives was investigated using DSC (differential scanning calorimetry). The gas phase absolute molar enthalpies at 298 K and 10⁵ Pa were calculated theoretically using the modified complete basis set method (CBS‐4M; M referring to the use of minimal population localization) with the Gaussian 09 software. Gas phase standard molar enthalpies of formation (ΔH_f°_(g)) at 298 K were computed using the atomization energy method. Standard molar enthalpies of formation (▵H_(s)°) were calculated using ΔH_f°_(g) and the standard molar enthalpies of sublimation by applying Trouton’s rule. The Chapman‐Jouguet (CJ) characteristics based on calculated ▵H_(s)° values were computed using the EXPLO5 V6.01 thermochemical computer code. For the calculations the theoretical maximum densities and densities obtained during the experiments presented in this work were used.     

Properties and structure of different rank anthracites

The properties and structure of anthracitic coals through to meta-anthracites were examined using a variety of analytical methods. With increasing rank, the following increased as well: moisture content, carbon content, vitrinite reflectance, reflectance anisotropy, microhardness, real and apparent density, whereas volatile matter content, hydrogen content and calorific value decreased. Increasing rank effected an increase of the spatial ordering of organic matter of the anthracites, decrease of the interlayer distance, and increase in the crystallite dimensions. Also, the number of condensed aromatic rings in the basic structural unit of the anthracites, index of condensation and aromatisation and total surface area and pore volume increased. The differences in the properties and structures of the anthracitic coals and meta-anthracites are described.