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We study an acceleration method for point-to-point shortest-path computations in large and sparse directed graphs with given nonnegative arc weights. The acceleration method is called the <i>arc-flag approach</i> and is based on Dijkstra's algorithm. In the arc-flag approach, we allow a preprocessing of the network data to generate additional information,(More)
The study of metabolic responses to drugs, environmental changes, and diseases is a new promising area of metabonomic research. Metabolic fingerprints can be obtained by analytical techniques such as nuclear magnetic resonance (NMR). In principle, alterations of these fingerprints due to appearance/disappearance or concentration changes of metabolites can(More)
Differences between individual phenotypes are due both to differences in genotype and to exposure to different environmental factors. A fundamental contribution to the definition of the individual phenotype for clinical and therapeutic applications would come from a deeper understanding of the metabolic phenotype. The existence of unique individual(More)
The recent melamine crisis in China has pointed out a serious deficiency in current food control systems, namely, they specifically focus on selected known compounds. This targeted approach allowed the presence of melamine in milk products to be overlooked for a considerable time. To avoid such crises in the future, we propose that nontargeted screening(More)
Approximately 1 in 400 neonates in Turkey is affected by inherited metabolic diseases. This high prevalence is at least in part due to consanguineous marriages. Standard screening in Turkey now covers only three metabolic diseases (phenylketonuria, congenital hypothyroidism, and biotinidase deficiency). Once symptoms have developed, tandem-MS can be used,(More)
The authenticity, the grape variety, the geographical origin, and the year of vintage of wines produced in Germany were investigated by (1)H NMR spectroscopy in combination with several steps of multivariate data analysis including principal component analysis (PCA), linear discrimination analysis (LDA), and multivariate analysis of variance (MANOVA)(More)
Nuclear magnetic resonance (NMR) spectroscopy is rapidly gaining importance in mixture analysis, originally driven by the pharmaceutical and nowadays also by clinical applications within metabonomics. Quality control of food-related material has very similar requirements, as it also deals with mixtures, and many of the compounds found in body fluids are(More)
With SGF Profiling™ we introduce an NMR-based screening method for the quality control of fruit juices. This method has been developed in a joint effort by Bruker BioSpin GmbH and SGF International e.V. The system is fully automated with respect to sample transfer, measurement, data analysis and reporting and is set up on an Avance 400 MHz flow-injection(More)
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