Chemical Science,
Journal Year:
2023,
Volume and Issue:
14(45), P. 13050 - 13059
Published: Jan. 1, 2023
Secondary
organic
aerosols
(SOAs)
influence
the
Earth's
climate
and
threaten
human
health.
Aromatic
hydrocarbons
(AHs)
are
major
precursors
for
SOA
formation
in
urban
atmosphere.
However,
revealed
oxidation
mechanism
dramatically
underestimates
contribution
of
AHs
to
formation,
strongly
suggesting
importance
seeking
additional
pathways
formation.
Using
toluene,
most
abundant
AHs,
as
a
model
system
combination
quantum
chemical
method
field
observations
based
on
advanced
mass
spectrometry,
we
herein
demonstrate
that
second-generation
can
form
novel
epoxides
(TEPOX)
with
high
yield.
Such
TEPOX
further
react
H2SO4
or
HNO3
aerosol
phase
less-volatile
compounds
including
non-aromatic
ring-retaining
organosulfates
organonitrates
through
reactive
uptakes,
providing
new
candidates
AH-derived
future
ambient
observation.
With
newly
mechanism,
chemistry-aerosol
box
modeling
yield
toluene
reach
up
0.35,
much
higher
than
0.088
original
under
conditions
pH
=
2
0.1
ppbv
NO.
This
study
opens
route
uptake
from
significantly
fills
current
knowledge
gap
Atmospheric chemistry and physics,
Journal Year:
2024,
Volume and Issue:
24(4), P. 2639 - 2649
Published: Feb. 29, 2024
Abstract.
Indole
(ind)
is
a
nitrogen-containing
heterocyclic
volatile
organic
compound
commonly
emitted
from
animal
husbandry
and
different
plants
like
maize
with
global
emissions
of
0.1
Tg
yr−1.
The
chemical
composition
optical
properties
indole
secondary
aerosol
(SOA)
brown
carbon
(BrC)
are
still
not
well
understood.
To
address
this,
environmental
chamber
experiments
were
conducted
to
investigate
the
oxidation
at
atmospherically
relevant
concentrations
selected
oxidants
(OH
radicals
O3)
or
without
NO2.
In
presence
NO2,
SOA
yields
decreased
by
more
than
factor
2,
but
mass
absorption
coefficient
365
nm
(MAC365)
ind-SOA
was
4.3
±
0.4
m2
g−1,
which
5
times
higher
that
in
C8H6N2O2
(identified
as
3-nitroindole)
contributed
76
%
all
compounds
detected
ionization
spectrometer,
contributing
∼
50
light
(Abs365).
absence
dominating
chromophore
C8H7O3N,
20
%–30
Abs365.
contributes
substantially
formation
BrC
its
potential
impact
on
atmospheric
radiative
transfer
further
enhanced
it
significantly
increases
specific
facilitating
3-nitroindole.
This
work
provides
new
insights
into
an
important
process
interaction
two
pollutants,
NO2
indole,
mainly
anthropogenic
activities.
Toxics,
Journal Year:
2025,
Volume and Issue:
13(4), P. 272 - 272
Published: April 2, 2025
Oligomerization
of
glyoxal
(GL)
and
methylglyoxal
(MG)
plays
a
vital
role
in
secondary
organic
aerosol
(SOA)
formation
aqueous
aerosols.
However,
the
influence
emerging
contaminants
on
oligomerization
GL
MG
remains
unclear.
Therefore,
using
quantum
chemical
kinetic
calculations,
we
investigated
presence
phthalate
esters
(PAEs),
including
dimethyl
(DMP),
diethyl
(DEP),
dipropyl
(DPP),
dibutyl
(DBP),
PAEs
oligomerization.
Our
findings
indicate
that
direct
PAE-mediated
is
hindered
due
to
lack
reactive
sites.
readily
mediated
by
hydrolysates
PAEs,
which
are
preferred
forms
weakly
acidic
aerosols,
attributable
additional
-OH
groups.
The
mechanisms
show
indirect
proceeds
via
three-step
reactions,
nucleophilic
attack
carbenium
ions,
hydration,
deprotonation,
thermodynamically
kinetically
favorable.
results
reveal
GL/MG
needs
be
emphasized,
particularly
conditions
with
pH
value
approaching
neutrality.
Electrophilic
compounds
belong
to
a
group
of
critical
components
fine
particulate
matter
(PM2.5)
with
significant
health
risk,
but
little
is
known
regarding
their
occurrence
and
sources
in
the
atmosphere.
In
this
study,
we
developed
nontargeted
approach
analyze
electrophilic
urban
Beijing
identified
147
ones
diurnal
variation,
among
which
oxygenated
aromatic
(OACs)
are
predominant
species.
The
discrepancy
hierarchical
clustering
analysis
atmospheric
transformation
markers,
e.g.,
9-nitroanthracene
(9NANT)
citraconic
anhydride
(CA),
PAHs,
fluoranthene
(FLT),
suggested
potential
secondary
formation
pathway
isomeric
ratio
acephenanthrylene
(ACP)
FLT,
product-to-precursor
11H-benzo[a]fluorene-11-one
(BaFO)
further
demonstrated
prevailing
existence
oxidation.
relationship
between
night-to-day
variation
molecular
characteristics,
particularly
negative
correlation
oxygen-related
features
such
as
carbon
oxidation
state,
confirmed
that
multigenerational
processes
during
daytime
predominantly
drive
diurnal/nocturnal
differences.
This
study
achieved
systematic
identification
atmosphere,
revealing
pivotal
role
on
fate
organic
chemicals
resulted
variation.
Environmental Science Processes & Impacts,
Journal Year:
2022,
Volume and Issue:
24(3), P. 351 - 379
Published: Jan. 1, 2022
This
review
summarizes
in
detail
the
current
knowledge
chemical
compositions,
formation
mechanisms,
and
physicochemical
properties
of
secondary
organic
aerosols
formed
from
monocyclic
aromatic
hydrocarbons.
Environmental Science & Technology,
Journal Year:
2023,
Volume and Issue:
57(16), P. 6616 - 6625
Published: April 13, 2023
Vehicular
evaporative
emissions
make
an
increasing
contribution
to
anthropogenic
sources
of
volatile
organic
compounds
(VOCs),
thus
contributing
secondary
aerosol
(SOA)
formation.
However,
few
studies
have
been
conducted
on
SOA
formation
from
vehicle
VOCs
under
complex
pollution
conditions
with
the
coexistence
NOx,
SO2,
and
NH3.
In
this
study,
synergistic
effects
SO2
NH3
gasoline
NOx
were
examined
using
a
30
m3
smog
chamber
aid
series
mass
spectrometers.
Compared
systems
involving
or
alone,
had
greater
promotion
effect
formation,
which
was
larger
than
cumulative
two
promotions
alone.
Meanwhile,
contrasting
oxidation
state
(OSc)
in
presence
absence
observed,
could
further
increase
OSc
The
latter
attributed
wherein
N–S–O
adducts
can
be
formed
reaction
N-heterocycles
generated
Our
study
contributes
understanding
highly
its
atmospheric
implications.
