Virtually all conventional optimizations are Performed in a batch computer environment. No graphic information during the optimization process is provided. The research tactics and implementation procedure of interact...
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Virtually all conventional optimizations are Performed in a batch computer environment. No graphic information during the optimization process is provided. The research tactics and implementation procedure of interactivegraphics in mechanical optimum design are presented. An interactive Graphics Mechanical Optimum Design program(IGMODP) for microcomputers is developed. The example of wheeled loader' s working device optimum design usingIGMODP is carried out.
We propose the KINAGDC(MW) program for the simultaneous determination of rate constants and molar absorption coefficients in the treatment of data obtained spectrophotometrically at multiwavelength from kinetic chemic...
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We propose the KINAGDC(MW) program for the simultaneous determination of rate constants and molar absorption coefficients in the treatment of data obtained spectrophotometrically at multiwavelength from kinetic chemical systems. The program features two successive multivariate mathematical optimizations, both based on the AGDC algorithm referring to rate constants and absortivities. We have carried out a comparative study of the results obtained considering two possibilities of sequential application of both optimizations. KINAGDC(MW) is endowed with the following characteristics: (a) possibility of treatment of a numerous set of kinetic data (multiwavelength);(b) satisfactory numerical solution of the set of differential equations with stiff characteristics using the Gear algorithm;(c) valid for the treatment of spectrophotometric data belonging to a narrow zone of wavelengths of the pronounced decreasing slope of a maximum in UV-visible light absorption, which happens in the kinetic study of the aminolysis reaction of beta-lactam antibiotics able to test the performance of the method by using experimental data;(d) it permits to compute spectrophotometric data from a system where the spectra of the components present a great overlapping, contributing all the chemical species to the value of the absorbance at each wavelength;(e) it is able to discriminate among different mechanisms or applicable models. (C) 1997 Elsevier Science B.V.
We propose the KINAGDC(MW) program for the simultaneous determination of rate constants and molar absorption coefficients in the treatment of data obtained spectrophotometrically at multiwavelength from kinetic chemic...
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We propose the KINAGDC(MW) program for the simultaneous determination of rate constants and molar absorption coefficients in the treatment of data obtained spectrophotometrically at multiwavelength from kinetic chemical systems. The program features two successive multivariate mathematical optimizations, both based on the AGDC algorithm referring to rate constants and absortivities. We have carried out a comparative study of the results obtained considering two possibilities of sequential application of both optimizations. KINAGDC(MW) is endowed with the following characteristics: (a) possibility of treatment of a numerous set of kinetic data (multiwavelength);(b) satisfactory numerical solution of the set of differential equations with stiff characteristics using the Gear algorithm;(c) valid for the treatment of spectrophotometric data belonging to a narrow zone of wavelengths of the pronounced decreasing slope of a maximum in UV-visible light absorption, which happens in the kinetic study of the aminolysis reaction of beta-lactam antibiotics able to test the performance of the method by using experimental data;(d) it permits to compute spectrophotometric data from a system where the spectra of the components present a great overlapping, contributing all the chemical species to the value of the absorbance at each wavelength;(e) it is able to discriminate among different mechanisms or applicable models. (C) 1997 Elsevier Science B.V.
We describe a computer program (Metal Search) that helps design tetrahedrally coordinated metal binding sites in proteins of known structure. The program takes as input the backbone coordinates of a protein and output...
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We describe a computer program (Metal Search) that helps design tetrahedrally coordinated metal binding sites in proteins of known structure. The program takes as input the backbone coordinates of a protein and outputs lists of four residues that might form tetrahedral sites if wild-type amino acids were replaced by cysteine or histidine. The program also outputs the side chain dihedral angles of the amino acids and the coordinates of the predicted metal ion. The only function evaluated by Metal Search is the ability of side chains to meet simple geometric criteria for formation of a tetrahedral site, but these criteria are sufficient to produce a manageably small List that can then be evaluated by other means. The program has been used in the introduction of zinc binding sites in the designed four-helix bundle protein alpha 4 and in the B1 domain of streptococcal protein G, and in both cases the tetrahedral coordination of a bound metal ion has been confirmed(1) (Klemba, M., Gardner, K. H., Marine, S., Clarke, N.D., and Regan, L., Nature: Structural Biology 2:368-373, 1995). (C) 1995 Wiley-Liss, Inc.
A simple method for the non-linear static analysis of complex building structures subjected to monotonically increasing horizontal loading (push-over analysis) is presented. The method is designed to be a part of new ...
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A simple method for the non-linear static analysis of complex building structures subjected to monotonically increasing horizontal loading (push-over analysis) is presented. The method is designed to be a part of new methodologies for the seismic design and evaluation of structures. It is based on the extension of a pseudo-three-dimensional mathematical model of a building structure into the non-linear range. The structure consists of planar macroelements. For each planar macroelement, a simple bilinear or multilinear base shear-top displacement relationship is assumed. By a step-by-step analysis an approximate relationship between the global base shear and top displacement is computed. During the analysis the development of plastic hinges throughout the building can be monitored. The method has been implemented into a prototype computer program. In the paper the mathematical model, the base shear-top displacement relationships for different types of macroelements, and the step-by-step computational procedure are described. The method has been applied for the analysis of a symmetric and an asymmetric variant of a seven-storey reinforced concrete frame-wall building, as well as for the analysis of a complex asymmetric 21-storey reinforced concrete wall building. The influence of torsion on structural behaviour is discussed.
A simple and reliable method based upon law of mass action for calculating: affinity of a monoclonal antibody using: non-competitive ELISA, is described. In this method, the binding of an antibody (Ab) with an antigen...
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A simple and reliable method based upon law of mass action for calculating: affinity of a monoclonal antibody using: non-competitive ELISA, is described. In this method, the binding of an antibody (Ab) with an antigen (Ag) is measured by ELISA using serial dilutions of both antigen (coated on the plate) as well as antibody. When the OD measured after the antigen antibody interaction was plotted against the concentration of Ab, added to the wells, a hyperbolic curve was obtained. The OD, at any point of the curve, was considered as a direct reflection of the amount of antibody bound to the antigen. The OD-100 denotes the occupancy of maximum no, of epitopes available on the antigen molecules, accessible to the antigen. The concentration of antibody (Ab, Ab') at corresponding levels of antigen concentration (Ag, Ag'), presents the value obtained at OD-50. The [Ag] and [Ag'] are not the true antigen concentrations but are the measurement of antigen density on the plate. The affinity constant K-aff was calculated by using the formula K-aff = (n - 1)/2(n[Ab'] - [Ab]), derived from law of mass action, where n = [Ag]/[Ag']. A computer program to calculate the affinity of antibody to the antigen using method described in this manuscript has been developed and discussed.
A simple programme has been written in GW BASIC to calculate the percentage activity of Tc-99(m)-radiopharmaceuticals in different tissues after biodistribution. The programme is efficient, easy to handle and produces...
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A simple programme has been written in GW BASIC to calculate the percentage activity of Tc-99(m)-radiopharmaceuticals in different tissues after biodistribution. The programme is efficient, easy to handle and produces a permanent record in terms of a final report.
A general computer program (AAS-TOOLS) is described which can act as a tool-box for theoretical studies in electrothermal atomic absorption spectrometry. This tool-box consists of general data processing tools, an on-...
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A general computer program (AAS-TOOLS) is described which can act as a tool-box for theoretical studies in electrothermal atomic absorption spectrometry. This tool-box consists of general data processing tools, an on-line data collection system and attendant database. Application of the tool-box is demonstrated by several practical and theoretical examples: (i) fitting and filtering of analytical data;(ii) on-line data collection for the atomization of Be;(iii) use of Smets' method to determine the kinetic parameters of Mn;and (iv) theoretical simulation of an atomic absorbance signal based on an exponentially modified Gaussian function. Pull-down menus are adopted in the program with on-line help information. The results of data acquisition or processing and graphs (lines or curves) are saved on a diskette as files which can be retrieved directly by Lotus-123 and Wordperfect (V 5.1 or 5.0). Some algorithms for data processing are given in the Appendix.
Statistically sound comparisons of natural and constructed wetlands are complicated by variability between and within wetlands. This paper demonstrates the use of a SAS(R) program that estimates sampling effort and al...
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Statistically sound comparisons of natural and constructed wetlands are complicated by variability between and within wetlands. This paper demonstrates the use of a SAS(R) program that estimates sampling effort and allocates that effort among number of wetlands, number of stations within wetlands, and number of samples to be collected at each station. Estimates are based upon variances known from pre-existing data, desired statistical power and critical effect, and project budget. The program is used to generate a sampling design for comparison of chironomid populations of natural and constructed freshwater herbaceous wetlands in central Florida.
A PC-based computer program for quality assessment (QAS) of results obtained by neutron activation analysis (NAA) is described. program QAS is designed for the quality assurance system based on a routine use of certif...
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A PC-based computer program for quality assessment (QAS) of results obtained by neutron activation analysis (NAA) is described. program QAS is designed for the quality assurance system based on a routine use of certified reference materials (CRMs) with similar matrix composition as the samples analyzed together with each sample batch. The results obtained for CRMs samples are then compared with certified (true) values and with the results obtained for particular CRM in previous analysis runs. Five various tests are applied to check the quality of NAA results (for CRM and, consequently, for real samples) obtained for a particular analysis run. Control charts for elemental concentrations found in CRM and ranges of results for duplicate aliquots of CRM are displayed to visualize possible discrepancies. The program accepts files transported from a gamma-ray spectrometric system ND 683 (based on a PDP 11 computer), extracts and stores reference material results, and prepares a work spreadsheet for each set of results to avoid typist and other kinds of errors.
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