Butyltin Species and Inorganic Tin in Water and Sediment of the Detroit and St. Clair Rivers

Water and sediment samples from 29 locations in the Detroit and St. Clair rivers were analyzed for the highly toxic tri-n-butyltin (Bu₃Sn⁺) species and for the less toxic di-n-butyltin (Bu₂Sn²⁺) and n-butyltin (BuSn³⁺) species and inorganic tin. In general, locations sampled in the St. Clair River were less contaminated with butyltin species than those in the Detroit River. Inorganic tin and BuSn³⁺ were detected in over 90% of all subsurface water samples, while Bu₂Sn²⁺ and Bu₃Sn⁺ were detected in 45 and 28% of the same samples, respectively. The highest concentration ofBu₃Sn⁺ in subsurface water, 5.9 × 10^?10 mol Sn/L, was at the mouth of the Ecorse River, a tributary of the Detroit River. The three butyltin species and inorganic tin were also detected in 23–46% of all sediment samples. The highest concentrations of Bu₃Sn⁺ in sediment were found close to the mouths of the River Rouge, another tributary of the Detroit River, and the Ecorse River, and were 6.2 × I0^–7 and 1.7 × I0^–7 mol Sn/kg dry weight, respectively, for the top 2 cm of sediment.     

Further studies on polyamides from bisacid a2

Earlier work on the low temperature solution polyamidation of bisacid A2 has raised a number of structural problems. Work carried out more recently showed that the problem of apparent nonisostoichiometry could be reasonably satisfactorily explained. The present paper reports the synthesis and investigates the properties of a further series of polyamides based upon Bisacid A2. More importantly, however, a detailed characterization and evaluation of the new polymers with respect to their structures is presented. This enabled us to compare the various structures in the light of the experimental evidence provided by a number of analytical and spectroscopic techniques, solution behavior, molecular weight, and thermal, morphological, and mechanical properties. Some work was also done on the effect of incorporating a small amount of a trifunctional monomer into the polyamide system.     

Multiple-mode acoustic transducer calculations

Approximate equations are derived that allow calculation of the component values for a multiple-mode Mason equivalent circuit for acoustic transducers. The experimental approach required to obtain the data from which to derive the equivalent circuit is also described. The equations have been tested for accuracy, and the approach described here yields useful information for the system designer. Iterative procedures can be applied to further refine the calculated values.     

An analysis of specialist and non-specialist user requirements for geographic climate change information

The EU EuroClim project developed a system to monitor and record climate change indicator data based on satellite observations of snow cover, sea ice and glaciers in Northern Europe and the Arctic. It also contained projection data for temperature, rainfall and average wind speed for Europe. These were all stored as data sets in a GIS database for users to download. The process of gathering requirements for a user population including scientists, researchers, policy makers, educationalists and the general public is described. Using an iterative design methodology, a user survey was administered to obtain initial feedback on the system concept followed by panel sessions where users were presented with the system concept and a demonstrator to interact with it. The requirements of both specialist and non-specialist users is summarised together with strategies for the effective communication of geographic climate change information.     

Modeling and Managing State in Distributed Systems: The Role of OGSI and WSRF

We often encounter in distributed systems the need to model, access, and manage state. This state may be, for example, data in a purchase order, service level agreements representing resource availability, or the current load on a computer. We introduce two closely related approaches to modeling and manipulating state within a Web services (WS) framework: the Open Grid Services Infrastructure (OGSI) and WS-Resource Framework (WSRF). Both approaches define conventions on the use of the Web service definition language schema that enable the modeling and management of state. OGSI introduces the idea of a stateful Web service and defines approaches for creating, naming, and managing the lifetime of instances of services; for declaring and inspecting service state data; for asynchronous notification of service state change; for representing and managing collections of service instances; and for common handling of service invocation faults. WSRF refactors and evolves OGSI to exploit new Web services standards, specifically WS-addressing, and to respond to early implementation and application experiences. WSRF retains essentially all of the functional capabilities present in OGSI, while changing some syntax (e.g., to exploit WS-addressing) and also adopting a different terminology in its presentation. In addition, WSRF partitions OGSI functionality into five distinct composable specifications. We explain the relationship between OGSI and WSRF and the related WS-notification specifications, explain the common requirements that both address, and compare and contrast the approaches taken to the realization of those requirements.     

Quantifying phytate in dairy digesta and feces: alkaline extraction and high-performance ion chromatography

Development of an analytical method with appropriate combination of extraction and quantification approaches for undigested phytate in ruminant feces and digesta will advance knowledge of phytate degradation in ruminants and help to reduce phosphorus excretion. Established quantification methods give satisfactory results for feedstuffs and nonruminant manure but recovery of phytate is incomplete for ruminant feces and digesta because of their complex sample matrix and low ratio of phytate to inorganic P. The objective was to develop a robust, accurate, sensitive, and inexpensive method to extract and quantify phytate in feeds, ruminant feces, and digesta. Diets varying in phytate content were fed to dairy heifers, dry cows, and lactating cows to generate digesta and fecal samples of varying composition to challenge extraction and quantification methods. Samples were extracted with 0.5 M HCl or 0.25 M NaOH + 0.05 M EDTA. Acid extracts were mixed with 20% NaCl, alkaline extracts were acidified to final pH <2, and then both extracts were clarified with C₁₈ cartridges and 0.2-μm filters. High-performance ion chromatography (HPIC) was used to quantify phytate. In feed samples, the measured phytate was comparable in alkaline and acid extracts (2,965 vs. 3,085 μg/g of DM). In digesta and fecal samples, alkaline extraction yielded greater estimates of phytate content than did acid extraction (40.7 vs. 33.6 and 202.9 vs. 144.4 μg/g of DM for digesta and fecal samples, respectively). Analysis of alkaline extracts by HPIC is usually not possible because of sample matrix interferences; acidification and C₁₈-cartridge elution of alkaline extracts prevented this interference. Pure phytate added to dry samples before extraction was almost completely recovered (88 to 105%), indicating high extraction efficiency, no adverse effect of extract clean-up procedures, and accurate quantification of phytate. The proposed method is rapid, inexpensive, robust, and combines the extraction power of NaOH-EDTA with the precision and sensitivity of HPIC quantification, allowing accurate quantification of phytate in feeds, ruminant digesta, and fecal samples.     

Downstream performance prediction for a manufacturing system using neural networks and six-sigma improvement techniques

Intelligent techniques have been applied in a range of industrial environments [Meziane F, Vadera S, Kobbacy K, Proudlove N. Intelligent systems in manufacturing: current developments and future prospects. Integrated Manuf Syst 2000;11(4):218–38; Stephanopoulos G, Han C. Intelligent systems in process engineering: a review. Comput Chem Eng, 1996;20 (6–7):743–91; Johnston AB, Maguire LP, McGinnity TM. Using business improvement techniques to inform the optimisation of production cycle time: an industrial case study. Proceedings of the IEEE SMC UK-RI Chapter conference 2004 on intelligent cybernetic systems. September 7–8, 2004 ISSN:1744–9189; Proudlove NC, Vadera S, Kobbacy KAH. Intelligent management systems in operations: A review. J Oper Res Soc, 1998;49(7):682–99] although their implementation is not the first choice of many process engineers. In contrast process engineers in a diverse range of manufacturing environments regularly deploy business improvement techniques, such as the six-sigma methodology. Such techniques aim to control and subsequently identify the relationship between the process inputs and outputs so that a process engineer can more accurately predict how the process output shall perform based on the system inputs. Factors such as cost reduction, automatic process control or simply process prediction may be the defining factors in establishing prediction models.     

Mie scattering of electromagnetic radiation by a sphere: A computer program

A computer program for calculating the Mie scattering of electromagnetic radiation by a sphere is described. The program will evaluate, amongst other parameters, the Mie scattering functions a_m and b_m, the extinction, scattering, back-scattering, absorption and radiation pressure efficiencies, the intensity functions, I₁ and I₂ and the polarisation ratios

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. The program can be made available to other users and computations can be commissioned on a repayment basis. A library of results is being established.     

Cover Feature: A Comparative Study of in vitro Assays for Predicting the Nonspecific Binding of PET Imaging Agents in vivo (ChemMedChem 7/2020)

Nonspecific binding (NSB) is a key parameter in optimizing PET imaging tracers. We compared the ability to predict NSB of three available methods: LIMBA, rat f_u,brain, and CHI(IAM). Even though NSB is often associated with lipophilicity, we observed that logD does not correlate with any of these assays, clearly indicating that lipophilicity, while influencing NSB, is insufficient to predict it. A cross-comparison of the methods showed that all three correlate and are useful predictors of NSB. The three assays, however, rank the molecules slightly differently, illustrating the challenge of comparing molecules within a narrow chemical space. We also noted that CHI(IAM) values more effectively predict V_NS, a measure of in vivo NSB in the human brain. CHI(IAM) measurements might be a closer model of the actual physicochemical interaction between PET tracer candidates and cell membranes, and seems to be the method of choice for the optimization of in vivo NSB.     

Selecting critical patterns based on local geometrical and statistical information

Pattern selection methods have been traditionally developed with a dependency on a specific classifier. In contrast, this paper presents a method that selects critical patterns deemed to carry essential information applicable to train those types of classifiers which require spatial information of the training data set. Critical patterns include those edge patterns that define the boundary and those border patterns that separate classes. The proposed method selects patterns from a new perspective, primarily based on their location in input space. It determines class edge patterns with the assistance of the approximated tangent hyperplane of a class surface. It also identifies border patterns between classes using local probability. The proposed method is evaluated on benchmark problems using popular classifiers, including multilayer perceptrons, radial basis functions, support vector machines, and nearest neighbors. The proposed approach is also compared with four state-of-the-art approaches and it is shown to provide similar but more consistent accuracy from a reduced data set. Experimental results demonstrate that it selects patterns sufficient to represent class boundary and to preserve the decision surface.