PMID- 30015307
OWN - NLM
STAT- MEDLINE
DCOM- 20180820
LR  - 20180820
IS  - 1873-376X (Electronic)
IS  - 1570-0232 (Linking)
VI  - 1093-1094
DP  - 2018 Sep 1
TI  - Electrochemical simulation of three novel cardiovascular drugs phase I metabolism 
      and development of a new method for determination of them by liquid 
      chromatography coupled with tandem mass spectrometry.
PG  - 100-112
LID - S1570-0232(18)30404-5 [pii]
LID - 10.1016/j.jchromb.2018.07.002 [doi]
AB  - In this study electrochemistry (EC) coupled with electrospray ionization mass 
      spectrometry (ESI-MS) was used to study the metabolic fate of three novel 
      cardiovascular drugs: rivaroxaban (RIV), aliskiren (ALS), and prasugrel (PRS). 
      Mimicry of the oxidative phase I metabolism was achieved in a simple amperometric 
      thin-layer cell equipped with a boron-doped diamond (MD) working electrode. 
      Structures of the electrochemically-generated metabolites were elucidated from 
      MS/MS experiments. Additionally, a sensitive, specific, and rapid ultra-high 
      performance liquid chromatography-tandem mass spectrometer (UHPLC-MS/MS) method 
      has been developed and validated for the selected drugs in human urine samples. 
      Three different sample preparation methods were compared and finally, sample 
      preparation was accomplished through an ultrasound-assisted emulsification 
      microextraction process (USAEME). The drugs were detected using a triple 
      quadrupole tandem mass spectrometer by multiple reaction monitoring via an 
      electrospray ionization source with positive ionization mode (ESI(+)). The 
      results obtained by EC-MS were compared with conventional in vivo studies by 
      analyzing urine samples from patients. Data from in vivo experiments showed good 
      agreement with the data from electrochemical oxidation. Thus, EC-MS is very 
      well-suited for the simulation of the oxidative metabolism of rivaroxaban, 
      aliskiren, and prasugrel as well. Moreover, electrochemical conversion of target 
      compounds appears to be a new in vitro technology for the prediction of potential 
      metabolites.
CI  - Copyright (c) 2018 Elsevier B.V. All rights reserved.
FAU - Szultka-Mlynska, Malgorzata
AU  - Szultka-Mlynska M
AD  - Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, 
      Nicolaus Copernicus University, Gagarin 7, 87-100 Torun, Poland; Centre for 
      Modern Interdisciplinary Technologies, Nicolaus Copernicus University, Wilenska 
      4, 87-100 Torun, Poland. Electronic address: szultka.malgorzata@wp.pl.
FAU - Bajkacz, Sylwia
AU  - Bajkacz S
AD  - Department of Inorganic, Analytical Chemistry and Electrochemistry, Silesian 
      University of Technology, 7 M. Strzody Str., 44-100 Gliwice, Poland.
FAU - Kaca, Magdalena
AU  - Kaca M
AD  - Department of Inorganic, Analytical Chemistry and Electrochemistry, Silesian 
      University of Technology, 7 M. Strzody Str., 44-100 Gliwice, Poland.
FAU - Baranowska, Irena
AU  - Baranowska I
AD  - Department of Inorganic, Analytical Chemistry and Electrochemistry, Silesian 
      University of Technology, 7 M. Strzody Str., 44-100 Gliwice, Poland.
FAU - Buszewski, Boguslaw
AU  - Buszewski B
AD  - Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, 
      Nicolaus Copernicus University, Gagarin 7, 87-100 Torun, Poland; Centre for 
      Modern Interdisciplinary Technologies, Nicolaus Copernicus University, Wilenska 
      4, 87-100 Torun, Poland.
LA  - eng
PT  - Journal Article
DEP - 20180706
PL  - Netherlands
TA  - J Chromatogr B Analyt Technol Biomed Life Sci
JT  - Journal of chromatography. B, Analytical technologies in the biomedical and life 
      sciences
JID - 101139554
RN  - 0 (Cardiovascular Agents)
SB  - IM
MH  - Cardiovascular Agents/analysis/*chemistry/*metabolism
MH  - Chromatography, Liquid/*methods
MH  - Electrochemistry
MH  - Humans
MH  - Models, Chemical
MH  - Sonication
MH  - Tandem Mass Spectrometry/*methods
OTO - NOTNLM
OT  - Cardiovascular drugs
OT  - Electrochemistry
OT  - Extraction
OT  - Liquid chromatography
OT  - Mass spectrometry
EDAT- 2018/07/18 06:00
MHDA- 2018/08/21 06:00
CRDT- 2018/07/18 06:00
PHST- 2018/03/07 00:00 [received]
PHST- 2018/06/06 00:00 [revised]
PHST- 2018/07/02 00:00 [accepted]
PHST- 2018/07/18 06:00 [pubmed]
PHST- 2018/08/21 06:00 [medline]
PHST- 2018/07/18 06:00 [entrez]
AID - S1570-0232(18)30404-5 [pii]
AID - 10.1016/j.jchromb.2018.07.002 [doi]
PST - ppublish
SO  - J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Sep 1;1093-1094:100-112. doi: 
      10.1016/j.jchromb.2018.07.002. Epub 2018 Jul 6.