Daniel J. Leggett

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A large number of enzyme-catalyzed reactions can be described by the equation y = At - B(1 - e-kt), where y is the amount of product formed, A is the slope of the linear portion of the curve, and B is a constant dependent on the mechanism of the reaction. The methods which are generally used to extract the rate constant, k, from absorbance-time data(More)
The ability of the computer program SQUAD to deduce a plausible equilibrium model, associated stability constants and spectra of individual species is described. The original version of SQUAD has been extensively modified and these changes are detailed. In particular a "user-friendly" method of data input has been implemented that simplifies familiarization(More)
The acid association constants for picoline-2-aldehyde thiosemicarbazone have been determined by potentiometry and spectrophotometry. Results are calculated by the modified computer programs SCOGS and PITMAP. Protonation sites are suggested for these reactions. A spectrophotometric survey has been performed of the reaction between PATS and several metal(More)
The reactions of picoline-2-aldehyde thiosemicarbazone (PATS) with silver, mercury, iron(II) and cobalt have been investigated in various environments. The compositions of the complexes have been investigated by continuous variation and molar ratio methods. Stability constants have been evaluated by means of SCOGS and a new program SQUAD. The formation(More)
A general computer program, POLAG, that will calculate stability constants from polarographic data, has been written. The program requires no pretreatment of the experimental data. Any equilibrium model, consisting of species having the general formula M(m)H(j)(OH)(k)L(n)L'(p) may be fitted to the data. The performance and versatility of POLAG has been(More)
A software system, ASSIM-8080, has been developed to permit the writing and debugging of Intel 8080 assembly-language programs with the aid of mainframe computers. ASSIM-8080 will assemble, with error checking and error diagnostics, an assembly-language program. If no errors are found in the source code, ASSIM-8080 will then simulate the execution of the(More)
The calculation of equilibrium concentrations in solution by means of seven published computer programs is critically evaluated. Six equilibrium systems were chosen to illustrate the capabilities of these programs. It was found, in general, that the choice of algorithm determines the efficiency of program execution. In all cases studied the problems were(More)
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