|Fully Automated LC-MS/MS-based Determination of Bosentanand its Metabolites in Dried Blood Spots using the SCAP™ DBS System|
Mirko Glinski, Norbert Ganz, Jasper Dingemanse, Laurent Nicolas and Werner Döbelin
Dried Blood Spot (DBS) analysis is a very promising alternative to conventional whole blood and plasma analysis used in drug discovery and development or later in therapeutic drug monitoring with well documented advantages.
|AN INTEGRATED 1H NMR, GC-MS AND HPLC-(ESI/TOF) BASED METABOLOMICS APPROACH TO THE STUDY OF ACUTE EXERCISE IN HUMAN SERUM METABOLOME|
There is an increasing concern about the different response and effect that acute exercise induces on diabetic people and a novel insight into this effect can be performed using a metabolomic approach. Metabolomic is becoming widely spread used as a new and powerful tool for discerning significant changes at metabolic level. In this study we aimed to perform a non-targeted analysis and to identify metabolic differences arisen after 30 minutes of acute exercise in both young men suffering from Ty
|Nucleic Acid Reagents and Experimental Results in the NCBI Probe Database|
Svetlana Iazvovskaia, Ilene Karsch Mizrachi, Kirill Rotmistrovsky, and Savani Tatake
Five years ago, the NCBI Probe database (ProbeDB) was established to provide a centralized archive of molecular probes used in biomedical applications. Currently ProbeDB contains around 10 million probes of 65 types including gene silencing agents, in situ hybridization probes, and probes for variation analysis and genome mapping. Presently, ProbeDB is the largest and most extensive database of this type available in public domain.
|Alignment of 1H-NMR data using a Generalized Fuzzy Hough Transform|
Erik Alm, Leonard Csenki, Ralf J.O. Torgrip, K. Magnus Åberg, Lars I. Nord, Ina Schuppe-Koistinen and Johan Lindberg
In metabolic profiling, multivariate data analysis techniques are used to interpret 1D 1H–NMR data. Multivariate data analysis techniques require that peaks are located in the same variables in every spectrum – this requirement is not met in native NMR spectra. Current state-of-the-art alignment algorithms are unable to align peaks when the spatial order of the peaks changes. We present the Fuzzy Generalized Hough Transform alignment which solves the alignment problem.
|Alteration of urinary metabolic profile in rats treated with methylmercury|
Pierre Ayotte, Dinesh Kumar, Pierre-Yves Tremblay, Xiaolei Jin, Sevini Shahbaz, Rekha Mehta, Hing Man Chan, and Oliver Fiehn
A metabolomic approach was used to detect changes in urinary metabolic profile of rats treated orally with methylmercury (MeHg), a ubiquitous fish contaminant with well known neurotoxic properties. An aliquot of urine was collected on day 14, extracted and the extract successively methoxymated and trimethylsilylated prior to analysis by GC/TOF-MS. Results indicate that several metabolic pathways were altered by MeHg treatment, including urea cycle, glutathione metabolism and amino acid degradati
|Metabolite profiling of sesquiterpene lactones and phenolics of bioactive extracts from Asteraceae medicinal plants by HPLC-UV-MS|
Gobbo-Neto, L.; Silva, V.C.; Passoni, F.D.; Chagas-Paula, D.A.; Oliveira, R.B.; Da Costa, F.B.
Metabolite profiling (HPLC-UV-MS) was performed for extracts from Tithonia diversifolia (Td) and Smallanthus sonchifolius (Ss) leaves [aqueous crude (ACE); leaf rinse (LRE); 70%MeOH rinsed leaves (GFE)]. LREs presented mainly sesquiterpene lactones (SLs) and flavonoids. FGEs and ACEs presented mainly chlorogenic acids. SLs were not detected in GFEs but traces were detected in ACEs. All extracts presented anti-inflammatory potential. LREs were highly toxic while GFEs did not presented significant
|Predicting hepatotoxicity: Reactive metabolite trapping using glutathione and freshly isolated hepatocytes|
Birks, V., Webber, G., Geoffroy, S., Cole, R., and Wood, S.
This poster presents our results to date using clozapine (a compound known to be associated with GSH-adduct formation) as substrate and using stable isotope GSH (GSH13C2,15N) to enhance specificity. In addition, all analyses have been conducted using an Waters Acquity UPLC-MS/MS. Results we have obtained in hepatocytes are compared against findings using human liver microsomes (HLM).
|The Human Serum Metabolome|
Nick Psychogios, David Hau, Jun Peng, Igor Sinelnikov, Souhaila Bouatra, Rupasri Mandal, Ram Krishna Murthy, Jianguo Xia, Fiona Bamforth, Janet McManus, Theresa Pedersen, Russ Greiner, Bruce McManus, John Newman and David Wishart
As part of our objective to systematically characterize the human metabolome and advance the fields of quantitative metabolomics, we present a global metabolic profiling of the human serum. Our experimental results indicated that global metabolic profiling methods can routinely detect more than 4200 different compounds in serum.
|Comparison of In Vivo and In Vitro 1-H NMR Spectroscopy in the Rat Brain: Technical Considerations, Effects of Brain Regions and Post Weaning Isolation|
Philippine C. Geiszler, A. Napolitano, M.I. Schubert, C.A. Jones, K.C.F. Fone, C.A. Daykin, D.P. Auer
In vivo and in vitro magnetic resonance (MR) spectroscopy are both used to obtain complementary information about the metabolic state of living tissue/tissue extracts, respectively. However, comparisons between in vivo and in vitro measurements are rare. The aim of this study was to compare results from in vivo and in vitro MR spectroscopy to study inter-regional variations and the effects of social isolation on metabolite levels in rat brain.