PMID- 26705142
OWN - NLM
STAT- MEDLINE
DCOM- 20161114
LR  - 20161230
IS  - 1535-3907 (Electronic)
IS  - 1535-3893 (Linking)
VI  - 15
IP  - 2
DP  - 2016 Feb 5
TI  - A Metabolomics Study of Retrospective Forensic Data from Whole Blood Samples of 
      Humans Exposed to 3,4-Methylenedioxymethamphetamine: A New Approach for 
      Identifying Drug Metabolites and Changes in Metabolism Related to Drug 
      Consumption.
PG  - 619-27
LID - 10.1021/acs.jproteome.5b01023 [doi]
AB  - The illicit drug 3,4-methylenedioxymethamphetamine (MDMA) has profound 
      physiological cerebral, cardiac, and hepatic effects that are reflected in the 
      blood. Screening of blood for MDMA and other narcotics are routinely performed in 
      forensics analysis using ultra-performance liquid chromatography with 
      high-resolution time-of-flight mass spectrometry (UPLC-HR-TOFMS). The aim of this 
      study was to investigate whether such UPLC-HR-TOFMS data collected over a 
      two-year period could be used for untargeted metabolomics to determine MDMA 
      metabolites as well as endogenous changes related to drug response and 
      toxicology. Whole blood samples from living Danish drivers' positive for MDMA in 
      different concentrations were compared to negative control samples using various 
      statistical methods. The untargeted identification of known MDMA metabolites was 
      used to validate the methods. The results further revealed changes of several 
      acylcarnitines, adenosine monophosphate, adenosine, inosine, thiomorpholine 
      3-carboxylate, tryptophan, S-adenosyl-l-homocysteine (SAH), and 
      lysophospatidylcholine (lysoPC) species in response to MDMA. These endogenous 
      metabolites could be implicated in an increased energy demand and mechanisms 
      related to the serotonergic syndrome as well as drug induced neurotoxicity. The 
      findings showed that it was possible to extract meaningful results from 
      retrospective UPLC-HR-TOFMS screening data for metabolic profiling in relation to 
      drug metabolism, endogenous physiological effects, and toxicology.
FAU - Nielsen, Kirstine L
AU  - Nielsen KL
AD  - Department of Forensic Medicine, Section for Forensic Chemistry, Aarhus 
      University , Palle Juul-Jensens Boulevard 99, DK-8200 Aarhus N, Denmark.
FAU - Telving, Rasmus
AU  - Telving R
AD  - Department of Forensic Medicine, Section for Forensic Chemistry, Aarhus 
      University , Palle Juul-Jensens Boulevard 99, DK-8200 Aarhus N, Denmark.
FAU - Andreasen, Mette F
AU  - Andreasen MF
AD  - Department of Forensic Medicine, Section for Forensic Chemistry, Aarhus 
      University , Palle Juul-Jensens Boulevard 99, DK-8200 Aarhus N, Denmark.
FAU - Hasselstrom, Jorgen B
AU  - Hasselstrom JB
AD  - Department of Forensic Medicine, Section for Forensic Chemistry, Aarhus 
      University , Palle Juul-Jensens Boulevard 99, DK-8200 Aarhus N, Denmark.
FAU - Johannsen, Mogens
AU  - Johannsen M
AD  - Department of Forensic Medicine, Section for Forensic Chemistry, Aarhus 
      University , Palle Juul-Jensens Boulevard 99, DK-8200 Aarhus N, Denmark.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20160108
PL  - United States
TA  - J Proteome Res
JT  - Journal of proteome research
JID - 101128775
RN  - KE1SEN21RM (N-Methyl-3,4-methylenedioxyamphetamine)
SB  - IM
MH  - Chromatography, Liquid/methods
MH  - Forensic Toxicology/*statistics & numerical data
MH  - Humans
MH  - Mass Spectrometry/methods
MH  - Metabolomics/*methods
MH  - N-Methyl-3,4-methylenedioxyamphetamine/*blood/*metabolism
MH  - Reproducibility of Results
MH  - Retrospective Studies
MH  - Substance Abuse Detection/methods
OTO - NOTNLM
OT  - 3,4-methylenedioxymethamphetamine (MDMA)
OT  - S-adenosyl-l-homocysteine
OT  - UPLC-HR-TOFMS
OT  - acylcarnitine
OT  - ecstasy
OT  - metabolism
OT  - metabolomics
OT  - thiomorpholine 3-carboxylate
OT  - tryptophan
EDAT- 2015/12/26 06:00
MHDA- 2016/11/15 06:00
CRDT- 2015/12/26 06:00
PHST- 2015/12/26 06:00 [entrez]
PHST- 2015/12/26 06:00 [pubmed]
PHST- 2016/11/15 06:00 [medline]
AID - 10.1021/acs.jproteome.5b01023 [doi]
PST - ppublish
SO  - J Proteome Res. 2016 Feb 5;15(2):619-27. doi: 10.1021/acs.jproteome.5b01023. Epub 
      2016 Jan 8.