This
study
aims
to
comprehensively
characterize
the
occurrence
and
potential
risks
of
organophosphate
esters
(OPEs),
especially
novel
OPEs
related
compounds
present
in
river
waters.
Using
high-resolution
mass
spectrometry,
we
conducted
a
comprehensive
analysis
OPE-related
water
samples
(n
=
90)
from
Chaobai
River
Beijing,
China.
Target
screening
detected
16
traditional
with
cumulative
concentrations
0.69–1315
ng/L
spring
1.5–1218
autumn
samples.
Suspect
nontarget
further
identified
42
compounds,
including
12
triesters,
11
diesters,
7
organophosphonates,
8
organothiophosphate
esters,
4
others.
The
semiquantified
these
make
up,
on
average,
36%
all
compounds.
Thereinto,
36
were
discovered
surface
for
first
time.
Downstream
exhibited
more
complex
OPE
profiles
higher
compared
upstream
reservoir
samples,
associated
varied
watershed
characteristics.
Hazard
assessment
risk-based
prioritization
revealed
significant
environmental
concerns
regarding
certain
chlorinated
such
as
bis((5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl)
methyl
phosphonate
P,P'-dioxide,
2-ethylhexyl
hydrogen
(2-ethylhexyl)phosphonate,
dihexyl
phosphate.
underscores
importance
understanding
contamination
water.
The Science of The Total Environment,
Год журнала:
2025,
Номер
967, С. 178801 - 178801
Опубликована: Фев. 12, 2025
Comprehensive
monitoring
studies
on
the
multiple
exposure
status
to
persistent
organic
pollutants
(POPs),
halogenated
natural
products
(HNPs),
and
organophosphate
esters
(OPEs)
of
coastal
biota
are
quite
limited
worldwide,
especially
for
wild
sessile
bivalves.
The
present
study
performed
multi-target
analyses
POPs,
HNPs,
OPEs
in
mussel
oyster
samples
collected
2017
2019
from
areas
Seto
Inland
Sea,
largest
semi-enclosed
sea
Japan.
For
OPEs,
we
established
a
highly
accurate
analytical
method
applicable
bivalve
soft
tissue
samples,
with
minimal
blank
contamination.
Multi-target
based
gas
liquid
chromatography/mass
spectrometry
revealed
ubiquity
not
only
legacy
but
also
emerging
compounds
Sea.
However,
clear
differences
spatial
distribution
patterns
were
observed,
indicating
presence
compound-specific
local
emission
sources
environment.
Interestingly,
several
aryl-
chlorinated-OPEs,
including
triphenyl
phosphate
(TPHP),
tricresyl
(TMPP),
tris(2-chloroisopropyl)
(TCIPP),
tris(1,3-dichloroisopropyl)
(TDCIPP),
found
detection
frequencies
>50
%,
residue
levels
these
OPE
higher
than
those
major
hexabromocyclododecanes
polybrominated
diphenyl
ethers
at
almost
all
sampling
points.
These
results
might
be
attributed
increasing
demand
as
alternatives
after
regulation
such
hazardous
brominated
flame
retardants
(BFRs).
Especially,
considering
that
TCIPP
has
lowest
log
octanol/water
partition
coefficient
(log
Kow)
thus
bioaccumulation
potential
among
above
BFRs,
still
accumulate
relatively
concentrations
bivalves,
substantial
amount
input
into
Sea
subsequent
organisms
can
suggested.
Environmental Science & Technology,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 19, 2025
Organophosphate
esters
(OPEs)
raise
growing
environmental
and
human
health
concerns
globally.
However,
numerous
novel
OPEs
lack
data
on
physicochemical
properties,
which
are
essential
for
assessing
fate,
exposure,
risks.
This
study
predicted
water
solubility
(Sw),
vapor
pressure
(Vp),
octanol-water
partition
coefficient
(Kow),
octanol-air
(Koa)
at
25
°C
46
by
identifying
optimal
in
silico
tools
establishing
prediction
strategies
based
molecular
weights
(MWs).
Prediction
discrepancies
between
increased
with
MWs
structural
complexity.
Method
evaluations
compounds
>
450
g/mol
suggest
that
COSMOtherm
is
advantageous
predicting
Sw
Vp
alkyl-OPEs,
while
SPARC
better
aryl-
halogenated-OPEs.
For
500
g/mol,
recommended
Kow
Koa
prediction,
respectively.
smaller
OPEs,
average
values
from
the
top
three
of
COSMOtherm,
SPARC,
EPI
Suite,
OPERA,
ranked
validation
traditional
flame
retardants,
recommended.
Using
improper
software
could
cause
deviations
multimedia
distribution
overall
persistence
environment
up
to
83
350%,
The
present
strategy
useful
enhance
reliability
risk
assessments
various
emerging
contaminants.
Environmental Science & Technology,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 24, 2024
As
a
novel
organophosphate
ester
(NOPE),
tris(2,4-ditert-butylphenyl)
phosphate
(TDtBPP)
has
attracted
significant
attention
due
to
its
unexpectedly
high
detection
in
natural
environments.
However,
the
ecological
toxic
effects
of
environmentally
relevant
concentrations
TDtBPP
organisms
remain
entirely
unknown.
In
this
study,
1
month
old
zebrafish
were
exposed
0,
50,
500,
or
5000
ng/L
for
150
days,
and
reproductive
toxicity
male
fish
was
evaluated.
Results
demonstrated
that
exposure
significantly
inhibited
maturation
spermatozoa
thus
decreased
spermatogenesis.
Furthermore,
abnormal
sperm
morphology
motility
also
observed.
The
decrease
quantity
quality
eventually
resulted
declining
fecundity.
Moreover,
downregulated
expression
hsd3b1
vivo
vitro
subsequently
synthesis
androgens
testes
Leydig
cells.
This
inhibition
androgen
appeared
be
responsible
observed
fish.
Molecular
docking
dual-luciferase
reporter
gene
experiments
elucidated
promotion
vitamin
D
on
transcription
by
receptor
hsd3b1.
Our
findings
provide
first
time
evidence
poses
risk
reproduction
at
levels.
Research Square (Research Square),
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 1, 2024
Abstract
Chemicals
of
emerging
concern
(CECs),
like
organophosphate
esters
(OPEs),
are
toxic
substances
threatening
human/wildlife
health.
Yet
the
atmospheric
transformation
CECs
remains
poorly
understood.
Here
we
combine
field
measurements
and
partitioning
models
to
test
hypothesis
that
secondary
formation
OPEs
could
be
enhanced
by
heterogenous
processes
in
aerosols.
We
found
hydrophobic
absorbed
favorably
into
organic
phase,
whereas
hydrophilic
preferably
partition
aqueous
phase.
provide
evidence
occurs
winter,
magnitude
is
strongly
dependent
on
aerosol
water
content.
suggest
dissolved
inorganic
salts
transitional
metals
aerosols
impact
positively
particle-bound
OPEs,
facilitating
their
and/or
oxidation.
Our
findings
highlight
important
role
oxidation
chemistry
for
fate
atmosphere,
urging
a
better
consideration
products
future
risk
assessment
chemicals
management.
This
study
aims
to
comprehensively
characterize
the
occurrence
and
potential
risks
of
organophosphate
esters
(OPEs),
especially
novel
OPEs
related
compounds
present
in
river
waters.
Using
high-resolution
mass
spectrometry,
we
conducted
a
comprehensive
analysis
OPE-related
water
samples
(n
=
90)
from
Chaobai
River
Beijing,
China.
Target
screening
detected
16
traditional
with
cumulative
concentrations
0.69–1315
ng/L
spring
1.5–1218
autumn
samples.
Suspect
nontarget
further
identified
42
compounds,
including
12
triesters,
11
diesters,
7
organophosphonates,
8
organothiophosphate
esters,
4
others.
The
semiquantified
these
make
up,
on
average,
36%
all
compounds.
Thereinto,
36
were
discovered
surface
for
first
time.
Downstream
exhibited
more
complex
OPE
profiles
higher
compared
upstream
reservoir
samples,
associated
varied
watershed
characteristics.
Hazard
assessment
risk-based
prioritization
revealed
significant
environmental
concerns
regarding
certain
chlorinated
such
as
bis((5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl)
methyl
phosphonate
P,P'-dioxide,
2-ethylhexyl
hydrogen
(2-ethylhexyl)phosphonate,
dihexyl
phosphate.
underscores
importance
understanding
contamination
water.
