Environment & Health,
Journal Year:
2024,
Volume and Issue:
2(7), P. 486 - 498
Published: April 2, 2024
Linalool,
a
high-reactivity
volatile
chemical
product
(VCP)
commonly
found
in
cleaning
products
and
disinfectants,
is
increasingly
recognized
as
an
emerging
contaminant,
especially
indoor
air.
Understanding
the
gas-phase
oxidation
mechanism
of
linalool
crucial
for
assessing
its
impact
on
atmospheric
chemistry
human
health.
Using
quantum
calculations
computational
toxicology
simulations,
we
investigated
transformation
toxicity
evolution
under
low
high
NO/HO2·
levels,
representing
outdoor
environments.
Our
findings
reveal
that
can
undergo
novel
mechanisms
involving
concerted
peroxy
(RO2·)
alkoxy
radical
(RO·)
modulated
autoxidation,
particularly
emphasizing
importance
cyclization
reactions
indoors.
This
expands
widely
known
RO2·-dominated
H-shift-driven
autoxidation
proposes
generalized
leads
to
formation
low-volatility
secondary
organic
aerosol
(SOA)
precursors.
Toxicological
analysis
shows
over
half
(TPs)
exhibited
higher
carcinogenicity
respiratory
compared
linalool.
We
also
propose
time-dependent
toxic
effects
TPs
assess
their
long-term
toxicity.
results
indicate
strong
emission
coupled
with
slow
consumption
rates
lead
significant
health
risks
environment.
The
highlight
complex
air
concerns
regarding
persistent
during
cleaning,
which
involves
use
or
other
VCPs.
Atmospheric chemistry and physics,
Journal Year:
2021,
Volume and Issue:
21(14), P. 11201 - 11224
Published: July 27, 2021
Abstract.
Anthropogenic
secondary
organic
aerosol
(ASOA),
formed
from
anthropogenic
emissions
of
compounds,
constitutes
a
substantial
fraction
the
mass
submicron
in
populated
areas
around
world
and
contributes
to
poor
air
quality
premature
mortality.
However,
precursor
sources
ASOA
are
poorly
understood,
there
large
uncertainties
health
benefits
that
might
accrue
reducing
emissions.
We
show
production
11
urban
on
three
continents
is
strongly
correlated
with
reactivity
specific
volatile
compounds.
The
differences
across
different
cities
can
be
explained
by
aromatics
intermediate-
semi-volatile
indicating
importance
controlling
these
precursors.
With
an
improved
model
representation
driven
observations,
we
attribute
340
000
PM2.5-related
deaths
per
year
ASOA,
which
over
order
magnitude
higher
than
prior
studies.
A
sensitivity
case
more
recently
proposed
for
attributing
mortality
PM2.5
(the
Global
Exposure
Mortality
Model)
results
up
900
deaths.
limitation
this
study
extrapolation
detailed
studies
regions
where
emission
inventories
available
other
larger.
In
addition
further
development
institutional
management
infrastructure,
comprehensive
campaigns
countries
South
Central
America,
Africa,
Asia,
Middle
East
needed
progress
area.
Earth system science data,
Journal Year:
2023,
Volume and Issue:
15(6), P. 2667 - 2694
Published: June 29, 2023
This
study,
performed
under
the
umbrella
of
Task
Force
on
Hemispheric
Transport
Air
Pollution
(TF-HTAP),
responds
to
global
and
regional
atmospheric
modelling
community's
need
a
mosaic
emission
inventory
air
pollutants
that
conforms
specific
requirements:
coverage,
long
time
series,
spatially
distributed
emissions
with
high
resolution,
sectoral
resolution.
The
approach
integrating
official
inventories
based
locally
reported
data,
globally
consistent
methodology,
allows
modellers
perform
simulations
scientific
quality
while
also
ensuring
results
remain
relevant
policymakers.
HTAP_v3,
an
ad
hoc
anthropogenic
inventories,
has
been
developed
by
over
areas
(North
America,
Europe,
Asia
including
Japan
South
Korea)
independent
Emissions
Database
for
Global
Atmospheric
Research
(EDGAR)
remaining
world
regions.
are
temporally
SO
Data in Brief,
Journal Year:
2023,
Volume and Issue:
47, P. 109022 - 109022
Published: March 2, 2023
The
United
States
Environmental
Protection
Agency
(US
EPA)
has
developed
a
set
of
annual
North
American
emissions
data
for
multiple
air
pollutants
across
18
broad
source
categories
2002
through
2017.
sixteen
new
inventories
were
using
consistent
input
and
methods
all
years.
When
method
or
tool
was
not
available
category,
estimated
by
scaling
from
the
EPA's
2017
National
Emissions
Inventory
with
factors
based
on
activity
and/or
control
information.
datasets
are
designed
to
support
regional
quality
modeling
wide
variety
human
health
ecological
applications.
simulations
Community
Multiscale
Air
Quality
model
but
can
also
be
used
other
scale
models.
one
component
Time
Series
Project
which
includes
inputs
(meteorology,
initial
conditions,
boundary
conditions)
outputs
(e.g.,
ozone,
PM2.5
constituent
species,
wet
dry
deposition)
Conterminous
US
at
12
km
horizontal
grid
spacing.
Atmospheric chemistry and physics,
Journal Year:
2021,
Volume and Issue:
21(6), P. 5079 - 5100
Published: March 31, 2021
Volatile
chemical
products
(VCPs)
are
an
increasingly
important
source
of
anthropogenic
reactive
organic
carbon
(ROC)
emissions.
Among
these
sources
everyday
items,
such
as
personal
care
products,
general
cleaners,
architectural
coatings,
pesticides,
adhesives,
and
printing
inks.
Here,
we
develop
VCPy,
a
new
framework
to
model
emissions
from
VCPs
throughout
the
United
States,
including
spatial
allocation
regional
local
scales.
Evaporation
species
VCP
mixture
in
VCPy
is
function
compound-specific
physiochemical
properties
that
govern
volatilization
timescale
relevant
for
product
evaporation.
We
introduce
two
terms
describe
processes:
evaporation
use
timescale.
Using
this
framework,
predicted
national
per
capita
9.5
kg
person
year
(6.4
C
year)
2016,
which
translates
3.05
Tg
(2.06
C),
making
dominant
States.
Uncertainty
associated
with
sensitivity
select
parameters
were
characterized
through
Monte
Carlo
analysis,
resulting
95
%
confidence
interval
2016
2.61-3.53
(1.76-2.38
C).
This
nationwide
total
broadly
consistent
U.S.
EPA's
2017
National
Emission
Inventory
(NEI);
however,
county-level
categorical
estimates
can
differ
substantially
NEI
values.
predicts
higher
than
approximately
half
all
counties,
5
counties
having
greater
55
Categorically,
application
yields
(150
%)
paints
coatings
(25
when
compared
NEI,
whereas
pesticides
(-54
inks
(-13
feature
lower
An
observational
evaluation
indicates
key
reproduced
high
fidelity
using
(normalized
mean
bias
-13
r
=0.95).
Sector-wide,
effective
secondary
aerosol
yield
maximum
incremental
reactivity
5.3
by
mass
1.58
gO3
g-1,
respectively,
indicating
important,
likely
date
underrepresented,
pollution
urban
environments.
Atmospheric chemistry and physics,
Journal Year:
2021,
Volume and Issue:
21(24), P. 18247 - 18261
Published: Dec. 16, 2021
Volatile
chemical
products
(VCPs)
are
commonly-used
consumer
and
industrial
items
that
an
important
source
of
anthropogenic
emissions.
Organic
compounds
from
VCPs
evaporate
on
atmospherically
relevant
time
scales
include
many
species
secondary
organic
aerosol
(SOA)
precursors.
However,
the
chemistry
leading
to
SOA,
particularly
intermediate
volatility
(IVOCs),
has
not
been
fully
represented
in
regional-scale
models
such
as
Community
Multiscale
Air
Quality
(CMAQ)
model,
which
tend
underpredict
SOA
concentrations
urban
areas.
Here
we
develop
a
model
represent
formation
VCP
The
incorporates
new
emissions
inventory
employs
three
classes
emissions:
siloxanes,
oxygenated
IVOCs,
nonoxygenated
IVOCs.
estimated
produce
1.67
μg
m-3
noontime
doubling
current
predictions
reducing
mass
concentration
bias
-75%
-58%
when
compared
observations
Los
Angeles
2010.
While
emitted
similar
quantities,
is
dominated
by
Formaldehyde
show
relationships
temperature
signatures
indicating
common
sources
and/or
chemistry.
This
work
suggests
contribute
up
half
must
better
precursors
predict
enhancement
SOA.
Environmental Science & Technology,
Journal Year:
2021,
Volume and Issue:
56(11), P. 6905 - 6913
Published: Nov. 15, 2021
Volatile
chemical
products
(VCPs)
are
a
significant
source
of
reactive
organic
carbon
emissions
in
the
United
States
with
substantial
fraction
(>20%
by
mass)
serving
as
secondary
aerosol
(SOA)
precursors.
Here,
we
incorporate
new
nationwide
VCP
inventory
into
Community
Multiscale
Air
Quality
(CMAQ)
model
VCP-specific
updates
to
better
air
quality
impacts.
Model
results
indicate
that
VCPs
mostly
enhance
anthropogenic
SOA
densely
populated
areas
population-weighted
annual
average
increasing
15–30%
Southern
California
and
New
York
City
due
(contribution
0.2–0.5
μg
m–3).
Annually,
total
PM2.5
∼5%
California,
∼3%
York,
Jersey,
Connecticut,
1–2%
most
other
states.
While
maximum
daily
8
h
ozone
enhancements
from
more
modest,
their
influence
can
cause
several
ppb
increase
on
select
days
major
cities.
Printing
Inks,
Cleaning
Products,
Paints
Coatings
product
use
categories
contribute
∼75%
modeled
VCP-derived
Coatings,
Personal
Care
Products
∼81%
ozone.
Overall,
multiple
criteria
pollutants
throughout
largest
impacts
urban
cores.
Environmental Science & Technology Letters,
Journal Year:
2022,
Volume and Issue:
9(2), P. 96 - 101
Published: Jan. 10, 2022
Exposure
to
ozone
and
fine
particle
(PM2.5)
air
pollution
results
in
premature
death.
These
pollutants
are
predominantly
secondary
nature
can
form
from
nitrogen
oxides
(NOX),
sulfur
(SOX),
volatile
organic
compounds
(VOCs).
Predicted
health
benefits
for
emission
reduction
scenarios
often
incompletely
account
VOCs
as
precursors
well
the
aerosol
(SOA)
component
of
PM2.5.
Here,
we
show
that
anthropogenic
VOC
reductions
more
than
twice
effective
equivalent
fractional
SOX
or
NOX
at
reducing
pollution-associated
cardiorespiratory
mortality
United
States.
A
25%
emissions
2016
levels
is
predicted
avoid
13,000
deaths
per
year,
most
(85%)
VOC-reduction
result
reduced
SOA
with
remainder
ozone.
While
(-5.7
±
0.2
%
yr-1)
(-12
1
have
declined
precipitously
across
U.S.
since
2002,
(-1.8
0.3
concentrations
non-methane
carbon
(-2.4
1.0
changed
less.
This
work
indicates
preferentially
controlling
could
yield
significant
human
health.
Atmospheric chemistry and physics,
Journal Year:
2023,
Volume and Issue:
23(9), P. 5043 - 5099
Published: May 4, 2023
Abstract.
Chemical
mechanisms
describe
the
atmospheric
transformations
of
organic
and
inorganic
species
connect
air
emissions
to
secondary
such
as
ozone,
fine
particles,
hazardous
pollutants
(HAPs)
like
formaldehyde.
Recent
advances
in
our
understanding
several
chemical
systems
shifts
drivers
chemistry
warrant
updates
used
transport
models
Community
Multiscale
Air
Quality
(CMAQ)
modeling
system.
This
work
builds
on
Regional
Atmospheric
Chemistry
Mechanism
version
2
(RACM2)
develops
Multiphase
(CRACMM)
1.0,
which
demonstrates
a
fully
coupled
representation
leading
ozone
aerosol
(SOA)
with
consideration
HAPs.
CRACMMv1.0
includes
178
gas-phase
species,
51
particulate
508
reactions
spanning
heterogeneous
pathways.
To
support
estimation
health
risks
associated
HAPs,
nine
CRACMM
cover
50
%
total
cancer
60
non-cancer
emission-weighted
toxicity
estimated
for
primary
HAPs
from
anthropogenic
biomass
burning
sources
US,
coverage
higher
(>
80
%)
when
formaldehyde
acrolein
are
considered.
In
addition,
new
mechanism
were
added
based
importance
their
aerosol,
or
burden
reactive
carbon
(ROC):
sesquiterpenes,
furans,
propylene
glycol,
alkane-like
low-
intermediate-volatility
compounds
(9
species),
oxygenated
(16
aromatic
hydrocarbons
(2
slowly
reacting
carbon.
Intermediate-
lower-volatility
increase
ROC
by
40
compared
current
operational
mechanisms.
Autoxidation,
reaction
particularly
effective
producing
SOA,
was
C10
larger
alkanes,
hydrocarbons,
monoterpene
including
second-generation
aldehydes.
Integrating
radical
SOA
put
additional
constraints
both
enabled
implementation
previously
unconsidered
pathways
phenolic
furanone
compounds,
predicted
account
∼
30
hydrocarbon
under
typical
conditions.
found
span
atmospherically
relevant
range
number,
number
oxygens
per
carbon,
oxidation
state
slight
high
bias
hydrogens
total,
11
emitted
implemented
precursors
CMAQv5.3.3
representations,
resulting
bottom-up
prediction
is
required
accurate
source
attribution
design
control
strategies.
available
CMAQv5.4.