DFT study of trichloroethene reaction with permanganate in aqueous solution

The mechanism of the environmentally important reaction between permanganate anion and trichloroethene (TCE) has been studied theoretically using modern DFT functional. It has been shown that IEFPCM/M05-2X/aug-cc-pVDZ theory level yields activation parameters and carbon isotopic fractionation factor in excellent agreement with the experimental data. Obtained results indicate that this reaction proceeds via the 3+2 mechanism with a very early transition state, in which the new C-O bonds are formed only in about 20%. An alternative, stepwise mechanism that involves initial formation of a single new C-O bond and a C-Mn bond, followed by rearrangement to the permanganate-TCE adduct, has been found to be more energetically demanding and in disagreement with the experimental isotopic fractionation.     

X-ray Microtomography Analysis of the Aluminum Alloy Composite Reinforced by SiC After Friction Stir Processing

Despite many years of using friction stir processing (FSP), there are many unexplained aspects concerning the processes which appear during FSP: determining the direction of flow and mixing of the materials and the degree of mixing and microstructure fragmentation in specific areas. This paper presents the impact of FSP on the micro- and macrostructure of the composite with hypo-eutectic Si matrix reinforced by SiC particles. The analysis of the structure of the processed area in FSP in the relation to the microstructure of the base material has been made using x-ray microtomography. The results of these studies have been juxtaposed with studies using microscopic methods (light microscopy and SEM). The microtomography images revealed an additional separation on the advancing side and the weld nugget, where on the basis of a 3D reconstruction a layer microstructure on the direction of linear movement of the tool has been demonstrated. The analyses have revealed a limited flow of the material above the weld nugget. The main advantages of the research method applied were the possibility to show the invisible or barely visible elements of the microstructure using standard test methods and the ability to analyze the microstructure changes uninterruptedly in different directions in the volume of the material.     

Ultrastructural and developmental toxicity of potato and tomato leaf extracts to beet armyworm,Spodoptera exigua (lepidoptera: noctuidae)

Beet Armyworm, Spodoptera exigua is a herbivorous moth and a serious pest of many economically important plants, which are used as food sources. Because of rigorous standards of food quality, usage of synthetic insecticides in crop protection, against pests, is limited. Solanaceae plant extracts may be a relatively cheap source of efficient natural insecticides that can limit usage of synthetic substances. Their biological activity is not fully known. In particular, ultrastructural studies, using transmission electron microscopy, are not usual. In the present article we describe the effects of sublethal concentrations of tomato and potato leaf extracts against S. exigua. Acute lethal effects were not observed. Both extracts exerted similar effects within midgut and fat body cells. Midgut cells were not significantly altered while fat body cells showed prominent swelling of nuclear envelope and endoplasmic reticulum, vacuolization of mitochondria and fusion of fat droplets. These changes were much more intensive within groups exposed to potato than tomato extracts at highest concentration at least. Light microscopy was used to observe and document developmental alterations of S. exigua exposed to potato and tomato leaf extracts. Potato leaf extracts significantly decreased hatching success and caused morphological malformations of imagoes. Among them, malformations of wings were the most prominent. Interestingly, these effects were not observed within populations exposed to tomato extracts at highest concentration at least.     

Changes to the microstructure of joints of welded iron superalloys IN 519 and H39WM during operation

Steam reforming is one method of producing hydrogen. The endothermic decomposition process of mixtures consisting of methane and water vapour under pressures of up to 4.0 MPa is conducted at a temperature of up to 780°C in austenite pipes cast centrifugally and filled with nickel catalytic agent. The results of microstructure tests on the welded joints of centrifugally cast catalytic pipes, made of second generation alloy IN 519 and third generation alloy H39WM, are presented in this article. The tests were conducted on butt welds drawn from the area of the substrate inlet of an approx. 500°C temperature, and from the area of maximum speed of pipe creep. The temperature of the pipe's external wall at the outlet of the products approaches 900°C under the operating conditions of ammonia reformers when internal pressure reaches up to 4.0 MPa. Long-lasting operational results in phase and structural changes depend on the local temperature of the pipe material. These changes affect the mechanical properties of the pipe material and contribute to initiation of the creep process, which manifests itself in macroscopic aspect as a local increase in the diameter of the pipes. The extreme stage of the high-temperature degradation of the microstructure reveals itself as macro-cracks leading to a loss of pipe leak-tightness.     

Low‐Temperature Co‐Fired Ceramics System for Light Absorbance Measurement

The article describes technology of the low‐temperature co‐fired ceramics (LTCC) structure that enables light absorbance measurements of liquid sample. The manufactured ceramic structure contains buried microfluidic channels. The structure consists of two co‐fired glass windows that separate the light source and detector from the test solution. A construction of an electronic measurement system is described as well. The signal from three light‐emitting diodes (LED)s — red, green, and blue — can be used in the absorbance measurements. The light intensity is measured by the TCS 3414CS (TAOS, Plano, TX) color detector. Optical properties of the fabricated microfluidic LTCC system is investigated with several concentrations of potassium permanganate (KMnO₄) in water solution. The system can be applied in microbiology for constant monitoring of bacterial growth.     

Influence of Unmodified and β-Glycerophosphate Cross-Linked Chitosan on Anti-Candida Activity of Clotrimazole in Semi-Solid Delivery Systems

The combination of an antifungal agent and drug carrier with adjunctive antimicrobial properties represents novel strategy of complex therapy in pharmaceutical technology. The goal of this study was to investigate the unmodified and ion cross-linked chitosan’s influence on anti-Candida activity of clotrimazole used as a model drug in hydrogels. It was particularly crucial to explore whether the chitosans’ structure modification by β-glycerophosphate altered its antifungal properties. Antifungal studies (performed by plate diffusion method according to CLSI reference protocol) revealed that hydrogels obtained with chitosan/β-glycerophosphate displayed lower anti-Candida effect, probably as a result of weakened polycationic properties of chitosan in the presence of ion cross-linker. Designed chitosan hydrogels with clotrimazole were found to be more efficient against tested Candida strains and showed more favorable drug release profile compared to commercially available product. These observations indicate that novel chitosan formulations may be considered as promising semi-solid delivery system of clotrimazole.     

Corrosion in drinking water pipes: the importance of green rusts

Complex crystallographic composition of the corrosion products is studied by diffraction methods and results obtained after different pre-treatment of samples are compared. The green rusts are found to be much more abundant in corrosion scales than it has been assumed so far. The characteristic and crystallographic composition of corrosion scales and deposits suspended in steady waters were analyzed by X-ray diffraction (XRD). The necessity of the examination of corrosion products in the wet conditions is indicated. The drying of the samples before analysis is shown to substantially change the crystallographic phases originally present in corrosion products. On sample drying the unstable green rusts is converted into more stable phases such as goethite and lepidocrocite, while the content of magnetite and siderite decreases. Three types of green rusts in wet materials sampled from tubercles are identified. Unexpectedly, in almost all corrosion scale samples significant amounts of the least stable green rust in chloride form was detected. Analysis of corrosion products suspended in steady water, which remained between tubercles and possibly in their interiors, revealed complex crystallographic composition of the sampled material. Goethite, lepidocrocite and magnetite as well as low amounts of siderite and quartz were present in all samples. Six different forms of green rusts were identified in the deposits separated from steady waters and the most abundant was carbonate green rust GR(CO₃²⁻)(I).     

Optical properties of the Al2O3/SiO2 and Al2O3/HfO2/SiO2 antireflective coatings

Investigations of bilayer and trilayer Al₂O₃/SiO₂ and Al₂O₃/HfO₂/SiO₂ antireflective coatings are presented in this paper. The oxide films were deposited on a heated quartz glass by e-gun evaporation in a vacuum of 5 × 10^?3 [Pa] in the presence of oxygen. Depositions were performed at three different temperatures of the substrates: 100 °C, 200 °C and 300 °C. The coatings were deposited onto optical quartz glass (Corning HPFS). The thickness and deposition rate were controlled with Inficon XTC/2 thickness measuring system. Deposition rate was equal to 0.6 nm/s for Al₂O₃, 0.6 nm ? 0.8 nm/s for HfO₂ and 0.6 nm/s for SiO₂. Simulations leading to optimization of the thin film thickness and the experimental results of optical measurements, which were carried out during and after the deposition process, have been presented. The optical thickness values, obtained from the measurements performed during the deposition process were as follows: 78 nm/78 nm for Al₂O₃/SiO₂ and 78 nm/156 nm/78 nm for Al₂O₃/HfO₂/SiO₂. The results were then checked by ellipsometric technique. Reflectance of the films depended on the substrate temperature during the deposition process. Starting from 240 nm to the beginning of visible region, the average reflectance of the trilayer system was below 1 % and for the bilayer, minima of the reflectance were equal to 1.6 %, 1.15 % and 0.8 % for deposition temperatures of 100 °C, 200 °C and 300 °C, respectively.