PMID- 29285590
OWN - NLM
STAT- MEDLINE
DCOM- 20180502
LR  - 20181202
IS  - 1432-0800 (Electronic)
IS  - 0007-4861 (Print)
IS  - 0007-4861 (Linking)
VI  - 100
IP  - 1
DP  - 2018 Jan
TI  - In Silico Screening-Level Prioritization of 8468 Chemicals Produced in OECD 
      Countries to Identify Potential Planetary Boundary Threats.
PG  - 134-146
LID - 10.1007/s00128-017-2253-9 [doi]
AB  - Legislation such as the Stockholm Convention and REACH aim to identify and 
      regulate the production and use of chemicals that qualify as persistent organic 
      pollutants (POPs) and very persistent and very bioaccumulative (vPvB) chemicals, 
      respectively. Recently, a series of studies on planetary boundary threats 
      proposed seven chemical hazard profiles that are distinct from the POP and vPvB 
      profiles. We previously defined two exposure-based hazard profiles; airborne 
      persistent contaminants (APCs) and waterborne persistent contaminants (WPCs) that 
      correspond to two profiles of chemicals that are planetary boundary threats. 
      Here, we extend our method to screen a database of chemicals consisting of 8648 
      substances produced within the OECD countries. We propose a new scoring scheme to 
      disentangle the POP, vPvB, APC and WPC profiles by focusing on the spatial range 
      of exposure potential, discuss the relationship between high exposure hazard and 
      elemental composition of chemicals, and identify chemicals with high exposure 
      hazard potential.
FAU - Reppas-Chrysovitsinos, Efstathios
AU  - Reppas-Chrysovitsinos E
AD  - Department of Environmental Science and Analytical Chemistry (ACES), Stockholm 
      University, 10691, Stockholm, Sweden.
FAU - Sobek, Anna
AU  - Sobek A
AD  - Department of Environmental Science and Analytical Chemistry (ACES), Stockholm 
      University, 10691, Stockholm, Sweden.
FAU - MacLeod, Matthew
AU  - MacLeod M
AUID- ORCID: 0000-0003-2562-7339
AD  - Department of Environmental Science and Analytical Chemistry (ACES), Stockholm 
      University, 10691, Stockholm, Sweden. matthew.macleod@aces.su.se.
LA  - eng
GR  - 316665/Seventh Framework Programme/
PT  - Journal Article
DEP - 20171228
PL  - United States
TA  - Bull Environ Contam Toxicol
JT  - Bulletin of environmental contamination and toxicology
JID - 0046021
RN  - 0 (Environmental Pollutants)
RN  - 0 (Hazardous Substances)
RN  - 0 (Organic Chemicals)
SB  - IM
MH  - *Computer Simulation
MH  - Environmental Monitoring/*methods
MH  - Environmental Pollutants/*analysis
MH  - Hazardous Substances/*analysis
MH  - Organic Chemicals/chemistry
MH  - *Organisation for Economic Co-Operation and Development
PMC - PMC5775374
OTO - NOTNLM
OT  - Bioaccumulation
OT  - Hazard screening
OT  - Long-range transport
OT  - POPs
OT  - Persistence
OT  - Planetary boundary
OT  - QSAR
EDAT- 2017/12/30 06:00
MHDA- 2018/05/03 06:00
PMCR- 2017/12/28
CRDT- 2017/12/30 06:00
PHST- 2017/10/23 00:00 [received]
PHST- 2017/12/11 00:00 [accepted]
PHST- 2017/12/30 06:00 [pubmed]
PHST- 2018/05/03 06:00 [medline]
PHST- 2017/12/30 06:00 [entrez]
PHST- 2017/12/28 00:00 [pmc-release]
AID - 10.1007/s00128-017-2253-9 [pii]
AID - 2253 [pii]
AID - 10.1007/s00128-017-2253-9 [doi]
PST - ppublish
SO  - Bull Environ Contam Toxicol. 2018 Jan;100(1):134-146. doi: 
      10.1007/s00128-017-2253-9. Epub 2017 Dec 28.