PMID- 27557133
OWN - NLM
STAT- MEDLINE
DCOM- 20180205
LR  - 20191210
IS  - 1097-0231 (Electronic)
IS  - 0951-4198 (Print)
IS  - 0951-4198 (Linking)
VI  - 30
IP  - 21
DP  - 2016 Nov 15
TI  - Nontargeted analysis of the urine nonpolar sulfateome: a pathway to the nonpolar 
      xenobiotic exposome.
PG  - 2341-2350
LID - 10.1002/rcm.7726 [doi]
AB  - RATIONALE: Testing the urine nonpolar sulfateome can enable discovery of 
      xenobiotics that are most likely to be bioactive. This is based on the fact that 
      nonpolar xenobiotics are more likely to enter cells where they tend to undergo 
      metabolism, in part, to sulfates that are then largely excreted into the urine. 
      METHODS: The following sequence of steps, with conditions that achieve high 
      reproducibility, was applied to large human urine samples: (1) competitive 
      nonpolar extraction with a porous extraction paddle; (2) weak anion-exchange 
      extraction with strong organic washing; and (3) ultrahigh-performance liquid 
      chromatography (UHPLC)/negative ion matrix-assisted laser desorption ionization 
      tandem time-of-flight mass spectrometery (MALDI-TOF/TOF-MS) with recording of 
      ions with signal-to-noise (S/N) >/= 20 that yielded M-1-80 (loss of SO(3) ) or m/z 
      97 (HSO(4)(-) ) upon fragmentation. RESULTS: From a collection of urine samples 
      from six pregnant women, the masses of 1129 putative sulfates were measured. 
      Three lists of candidate compounds (preliminary hits) from these masses were 
      formed by searching METLIN, especially via MATLAB, yielding putative xenobiotic 
      contaminants (35 compounds), steroids (122), and flavonoids (1582). CONCLUSIONS: 
      A new way to reveal some of the nonpolar xenobiotic exposome has been developed 
      that applies to urine samples. The value of the method is to suggest xenobiotics 
      for subsequent targeted analysis in the population of people under study, in 
      order to relate the environment to health and disease. Copyright (c) 2016 John 
      Wiley & Sons, Ltd.
CI  - Copyright (c) 2016 John Wiley & Sons, Ltd.
FAU - Yao, Yuanyuan
AU  - Yao Y
AD  - Northeastern University, Department of Pharmaceutical Sciences and Barnett 
      Institute, Bouve College, 360, Huntington, Ave., Boston, MA, 02115, USA.
FAU - Wang, Poguang
AU  - Wang P
AD  - Northeastern University, Department of Pharmaceutical Sciences and Barnett 
      Institute, Bouve College, 360, Huntington, Ave., Boston, MA, 02115, USA.
FAU - Shao, Gang
AU  - Shao G
AD  - Northeastern University, Department of Pharmaceutical Sciences and Barnett 
      Institute, Bouve College, 360, Huntington, Ave., Boston, MA, 02115, USA.
FAU - Del Toro, Liza V Anzalota
AU  - Del Toro LV
AD  - University of Puerto Rico, Medical Sciences Campus, San Juan, Puerto Rico.
FAU - Codero, Jose
AU  - Codero J
AD  - University of Puerto Rico, Medical Sciences Campus, San Juan, Puerto Rico.
FAU - Giese, Roger W
AU  - Giese RW
AD  - Northeastern University, Department of Pharmaceutical Sciences and Barnett 
      Institute, Bouve College, 360, Huntington, Ave., Boston, MA, 02115, USA. 
      r.giese@neu.edu.
LA  - eng
GR  - P42 ES017198/ES/NIEHS NIH HHS/United States
PT  - Evaluation Study
PT  - Journal Article
PL  - England
TA  - Rapid Commun Mass Spectrom
JT  - Rapid communications in mass spectrometry : RCM
JID - 8802365
RN  - 0 (Sulfates)
RN  - 0 (Xenobiotics)
SB  - IM
MH  - Chromatography, High Pressure Liquid/*methods
MH  - Female
MH  - Humans
MH  - Pregnancy
MH  - Sulfates/chemistry/*urine
MH  - Tandem Mass Spectrometry/*methods
MH  - Xenobiotics/chemistry/*urine
PMC - PMC5070653
MID - NIHMS817879
EDAT- 2016/08/25 06:00
MHDA- 2018/02/06 06:00
PMCR- 2017/11/15
CRDT- 2016/08/25 06:00
PHST- 2016/06/15 00:00 [received]
PHST- 2016/08/09 00:00 [revised]
PHST- 2016/08/20 00:00 [accepted]
PHST- 2016/08/25 06:00 [pubmed]
PHST- 2018/02/06 06:00 [medline]
PHST- 2016/08/25 06:00 [entrez]
PHST- 2017/11/15 00:00 [pmc-release]
AID - 10.1002/rcm.7726 [doi]
PST - ppublish
SO  - Rapid Commun Mass Spectrom. 2016 Nov 15;30(21):2341-2350. doi: 10.1002/rcm.7726.