Research
Print page Print page
Switch language
The Capital Region of Denmark - a part of Copenhagen University Hospital
Published

LC-MS-Based Metabolomics Discovers Purine Endogenous Associations with Low-Dose Salbutamol in Urine Collected for Antidoping Tests

Research output: Contribution to journalJournal articleResearchpeer-review

  1. Peptide disc mediated control of membrane protein orientation in supported lipid bilayers for surface-sensitive investigations

    Research output: Contribution to journalJournal articleResearchpeer-review

  2. Direct Monitoring of Exogenous γ-Hydroxybutyric Acid in Body Fluids by NMR Spectroscopy

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Multidimensional LC-MS/MS enables simultaneous quantification of intact human insulin and five recombinant analogs in human plasma

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Electrochemical reduction of disulfide-containing proteins for hydrogen/deuterium exchange monitored by mass spectrometry

    Research output: Contribution to journalJournal articleResearchpeer-review

  1. Circulating Metabolites and Lipids Are Associated to Diabetic Retinopathy in Individuals With Type 1 Diabetes

    Research output: Contribution to journalJournal articleResearchpeer-review

  2. Lipidomics of human adipose tissue reveals diversity between body areas

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Blood Metabolite Signatures of Metabolic Syndrome in Two Cross-Cultural Older Adult Cohorts

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Lipidomic profiles, lipid trajectories and clinical biomarkers in female elite endurance athletes

    Research output: Contribution to journalJournal articleResearchpeer-review

View graph of relations

Current antidoping analytical methods are tailored mainly to the targeting of known drugs and endogenous molecules. This causes difficulties in rapidly reacting to emerging threats, such as designer drugs, biological therapeutic agents, and technologies. Biomarkers are considered as a promising approach for the fight against these threats to sport. The main purpose of this study was to find surrogate biomarkers induced by the intake of small amounts of the model compound salbutamol and explore a sensitive approach to help screen for possible drug misuse. Urine samples (91) from athletes with detectable salbutamol (30) and negative samples (61) were analyzed using a UHPLC-MS. A third group (30) was created by spiking salbutamol into negative samples to eliminate confounding effects. Data were then analyzed in XCMS to extract metabolic features. Orthogonal partial least squares-discriminant analysis was performed to select features correlated with detectable salbutamol (p(corr) > 0.5) and ROC analysis was performed to measure the predictive potential of the markers. Univariate analysis including Mann-Whitney U test and Spearman's correlation was conducted on selected markers. A total of 7000 metabolic features were parsed, one feature identified as hypoxanthine increased with salbutamol (p < 0.001). The ROC curve of hypoxanthine returned an AUC of 0.79 (p < 0.001). Correlation with salbutamol (r = 0.415, p < 0.01, Spearman's correlation) showed hypoxanthine and purine metabolism have association with salbutamol administration. This surrogate discovery approach needs further PK studies but in the meantime can be used as an intelligence-based complementary approach for targeting of athletes to be further tested.

Original languageEnglish
JournalAnalytical Chemistry
Volume88
Issue number4
Pages (from-to)2243-2249
Number of pages7
ISSN0003-2700
DOIs
Publication statusPublished - 16 Feb 2016
Externally publishedYes

ID: 54953147