Per-
and
polyfluoroalkyl
acids
(PFAAs)
including
carboxylic
sulfonic
are
a
large
category
of
crucial
environmental
pollutants
global
concern.
Besides
known
PFAAs,
numerous
unknown
species
may
exist
in
the
environment,
urgently
needing
discovery
characterization.
This
study
implemented
nontarget
analysis
for
group
novel
PFAA
pollutants,
viz.
iodinated
PFAAs
(I-PFAAs)
wastewater
by
liquid
chromatography-high-resolution
mass
spectrometry
combination
with
an
iodine-specific
data-processing
algorithm.
The
algorithm
took
into
account
diagnostic
fragment
iodine
ion
(I–)
together
carbon
sulfur
isotopologue
distributions.
In
total,
21
I-PFAA
formulas
involving
24
congeners
were
identified.
Semiquantification
was
conducted,
total
concentrations
I-PFAAs
1.9-311.9
ng/mL,
indicating
non-negligible
pollution
wastewater.
determined
along
predicted
behaviors
toxicities
demonstrate
that
merit
further
in-depth
investigation.
analytical
method
instrumental
can
be
extended
to
screening
identification
other
matrices.
Furthermore,
results
first
time
provide
cognition
on
occurrence
features
status
environment.
Green Chemistry Letters and Reviews,
Год журнала:
2024,
Номер
18(1)
Опубликована: Дек. 11, 2024
The
simultaneous
separation
of
neutral
and
ionizable
perfluoroalkyl
substances
(PFASs)
is
challenging.
traditional
solvents
used
for
this
purpose
are
toxic
harmful.
Deep
eutectic
(DESs)
as
sustainable
alternatives
to
reagents
have
received
considerable
attention
in
current
research.
In
work,
an
array
complementary
experimental
(liquid–liquid
equilibrium
experiments)
computational
(ab
initio
molecular
dynamics,
AIMD)
techniques
were
utilized
explore
the
distinct
distribution
behaviors,
complicated
interaction
network,
corresponding
mechanisms
from
multidimensional
temporal
spatial
perspectives.
proposed
bromophenylcyanide-based
solvent
systems
exhibited
good
extraction
performance
both
PFASs.
presence
a
cyano
group
adjacent
bromine
leads
increased
polarization
C–Br
bond,
resulting
strength
Br···F
contact,
which
provides
selectivity
some
extent.
For
fatty
acids,
their
disruptive
effect
on
greater
because
relatively
strong
aggregation
that
affects
DES
structuring.
PFASs,
different
categories
target
monomers
confined
cavities
interact
with
surrounding
through
abundant
sites
(such
electrostatic
attraction,
N-H···F-C,
O-H···F-C,
O-H···O-H,
C≡N···O-H
hydrogen
bonds)
without
significantly
disrupting
structural
properties
by
reducing
mobility.
Per-
and
polyfluoroalkyl
acids
(PFAAs)
including
carboxylic
sulfonic
are
a
large
category
of
crucial
environmental
pollutants
global
concern.
Besides
known
PFAAs,
numerous
unknown
species
may
exist
in
the
environment,
urgently
needing
discovery
characterization.
This
study
implemented
nontarget
analysis
for
group
novel
PFAA
pollutants,
viz.
iodinated
PFAAs
(I-PFAAs)
wastewater
by
liquid
chromatography-high-resolution
mass
spectrometry
combination
with
an
iodine-specific
data-processing
algorithm.
The
algorithm
took
into
account
diagnostic
fragment
iodine
ion
(I–)
together
carbon
sulfur
isotopologue
distributions.
In
total,
21
I-PFAA
formulas
involving
24
congeners
were
identified.
Semiquantification
was
conducted,
total
concentrations
I-PFAAs
1.9-311.9
ng/mL,
indicating
non-negligible
pollution
wastewater.
determined
along
predicted
behaviors
toxicities
demonstrate
that
merit
further
in-depth
investigation.
analytical
method
instrumental
can
be
extended
to
screening
identification
other
matrices.
Furthermore,
results
first
time
provide
cognition
on
occurrence
features
status
environment.
