Computer program, deconvolution

NMR/Fractionation. The combination of NHR and fractionation is an excellent approach to study polymer mixtures.(17) If the components of the mixture are completely fractionated, then IIMR characterization is straightforward. If the components of the mixture are similar in structure such that separation is partial, then the computerized approach described above can be used to study the NMR/fractionation data and to deconvolute the consonants in each fraction. Thus far, three computer programs have been written to study MMR/fractionation data, two for polymer tacticity (MIXCO.CSX, MIXCO.C4X), and one for copolymer triad sequences (MIXCO.TRIADX). 

P. Veng-Pedersen, An algorithm and computer program for deconvolution in linear pharmacokinetics. J. Phar. Biopharm, 8 (1980) 463-481. 

As the semiquinone radicals in the photochemical systems decay by good second-order kinetics, we can extrapolate through this dead time along the second-order plot to the light-off point (by a computer program written for such a deconvolution purpose) to estimate Sq. This is demonstrated in Fig. 4, where it is obvious that the second-order kinetics of the radical decay can be processed in the same experiment. 

The resolution of a complex absorption spectrum into individual absorption bands may be necessary if information about the position, height or width of individual bands is required. There are a number of computer programs designed for the deconvolution of spectra, but you can do a reasonable job with Excel. 

Other approaches have been used for more complex models. These include curve stripping or the method of residuals,either manually or using a computer program such as CSTRIP and ESTRIF. These techniques can separate a multiexponential curve into its component parts for initial estimates. Other techniques include deconvolution methods specific to the one and two compartment pharmacokinetic models. The objective of the deconvolution method is to mathematically subtract the results obtained after IV administration from the oral or extravascular data. This results in information about the input or absorption process alone. More general methods have been presented by various researchers that do not rely on a particular compartmental model. ... 

MP Barbalas, WA Garland. A computer program for the deconvolution of mass spectral peak abundance data from experiments using stable isotopes. J Pharm Sci 80 922, 1996. 

Veng-Pedersen, R, Drug absorption evaluation in the presence of changes in clearance an algorithm and computer program for deconvolution with exact clearance correction, J. Pharmacokinet. Biopharm., 8 185-203, 1987. 

Samples were dissolved in water at a concentration of 2 mM, and CD spectra (190-270 nm) were taken at 5 C intervals between 5 and 25 C, and at 10 C intervals from 25 C to 65 C, The data were deconvoluted with the computer program PROSEC, and interpreted by S. Krimm. 

For evaluating the angular dependence of line positions, the spectra have been deconvoluted by a computer program which was described previously [ll, 25j. Thereby frequency positions, widths and intensities of the strongly overlapping lines were obtained. 

More conveniently, electronic integrators (Healy et ai, 1973) and sophisticated on-line (e.g. Levine et ai, 1973) and off-line computer systems can determine peak areas. These systems are usually able to cope with corrections of peak area due to baseline, deconvolution of overlapping peaks, determination of relative retention times and, of course, provide output in the desired units. Healy and co-workers (1973) described a system in which a digital electronic integrator and off-line computer program were used to identify relative retention indices and quantify chromatographic peaks of urinary organic acids. 

Deconvolution. When the luminescence lifetime is close to the laser pulse duration, the kinetics can still be obtained by a process known as deconvolution, so long as the luminescence decay is exponential. The deconvolution program is a computer simulation of the shape of the laser pulse modified for various luminescence lifetimes. An example is given in Figure 7.33. The kinetics of fluorescence decay could not be resolved directly, but it is clear that the emission pulse shape differs from the laser pulse shape... 

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