Efficient recovery of electrophoretic profiles of nucleoside metabolites from urine samples by multivariate curve resolution

Abstract

Chemometric techniques usually employed in purity assessment and resolution of multicomponent peaks have been applied to analytical data from complex biological samples obtained with CE-DAD. In the assessment of the purity of the electrophoretic peaks, the orthogonal projection approach, the orthogonal projection approach with Durbin-Watson criterion, and the simple-to-use interactive self-modeling mixture analysis method have been employed. Multivariate curve resolution with alternating least squares has been successfully implemented to resolve co-migrating peaks of metabolites in CE-DAD and to recover qualitative and quantitative information about co-migrating components of urine extract. The main challenge consisted of developing high-quality multivariate curve resolution with alternating least squares models of multicomponent peaks acquired during the CE analysis of nucleoside patterns in 18 urine samples. The recovered ultraviolet visible (UV-Vis) spectra have been employed to identify additional nucleosides, such as 1-methylinosine, 2-methylguanosine, and 1-methylguanosine, whose presence in the metabolic profile produced by the applied CE-DAD method has not yet been recognized. Concentration profiles of these compounds can be used in metabonomic studies.

Fast Determination of Phenanthrene in Soil by Gas Chromatography‐Mass Spectrometry Using Chemometric Resolution and Standard Addition Method

“…[21,22] Taking the advantage of 2-D bilinear signals, multivariate curve resolution-alternating least squares (MCR-ALS) [23] was developed and employed in the analysis of environmental and biological samples. [24,25] Furthermore, chemometric methods for resolving three-or even four-dimensional signals have been developed, such as alternating trilinear decomposition (ATLD), [26,27] parallel factor analysis (PARAFAC) [28,29] and four-way self-weighted alternating normalized residue fitting algorithm. These methods have been proved to be powerful in the analysis of the samples with complex interference matrix.…”

Enhanced fluidity liquid chromatography for hydrophilic interaction separation of nucleosides

“…These compounds are of interest to pharmaceutical chemistry since nucleoside levels can be used in metabolomics as disease markers [16], and in food chemistry for product analysis and identification [17]. Since such analyses are often done in complex biological matrices, efficient, selective separation techniques are required for analysis.…”

“…Since such analyses are often done in complex biological matrices, efficient, selective separation techniques are required for analysis. Current techniques for analyzing nucleosides are capillary electrophoresis [16], gradient reversed-phase HPLC [17] and HILIC [5,[18][19][20], but all these techniques require extended analysis times. Finally, as mentioned earlier, many HILIC techniques rely upon the use of acetonitrile-based mobile phases, which can be an issue from a cost and environmental prospective.…”

Statistical-Based Approach in Potential Diagnostic Application of Urinary Nucleosides in Urogenital Tract Cancer

“…Nowadays, thanks to the progress in applied chemometrics, utilizing such statistical techniques as principal component analysis, artificial neural networks, factor analysis, stepwise discriminant analysis, support vector machine-based recursive feature elimination, k-nearest neighbor or partial least squares discriminant analysis, the discrimination between cancer and noncancer individuals is more and more often reported [3][4][5][6].…”