Data preprocessing by wavelets and genetic algorithms for enhanced multivariate analysis of LC peptide mapping

A comparison of methods for alignment of NMR peaks in the context of cluster analysis

“…All the spectra in one class may be aligned to one chosen target in its own class, e.g. as in Andersson et al [27].…”

LC–MS solvent composition monitoring and chromatography alignment using mobile phase tracer molecules

“…This mixture consisted of angiotensin I, neurotensin, ACTH (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15)(16)(17), and ACTH (18-39) mixed in equal volumes. One microliter corresponding to 12 ng of each peptide was loaded onto a C18 reverse phase capillary LC column for mass spectrometric analysis.…”

“…LC retention time shifting is especially a problem when aligning multiple chromatography runs to each other. Methods to correct for these fluctuations and to align multiple chromatography runs have included calculating relative LC peak retention times with respect to reference peaks [1,2,8], and employing computer algorithms to shift peaks and warp chromatographic runs to fit target chromatographic patterns [9,10]. One problem with these methods is that they typically do not employ enough reference peaks to allow for continuous monitoring of the gradient.…”

Extensions to peak alignment using reduced set mapping: classification of LC/UV data from peptide mapping

“…More detailed information about the data can be found in Reference [18]. Figure 1 shows raw chromatograms from the four classes.…”

“…The data consist of 40 peptide maps from porcine heart, porcine muscle, bovine heart and rabbit muscle analysed by reverse phase HPLC and single-wavelength UV detection at 214 nm. More detailed information about the data can be found in Reference [18]. Figure 1 shows raw chromatograms from the four classes.…”