Oxidation Mechanism and Toxicity Evolution of Linalool, a Typical Indoor Volatile Chemical Product
Environment & Health,
Год журнала:
2024,
Номер
2(7), С. 486 - 498
Опубликована: Апрель 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.
Язык: Английский
Oxidation of toluene with N<sub>2</sub>O on ZSM-5 zeolite under supercritical conditions
Mendeleev Communications,
Год журнала:
2025,
Номер
35(3), С. 344 - 346
Опубликована: Янв. 1, 2025
Язык: Английский
Modelling molecular composition of SOA from toluene photo-oxidation at urban and street scales
Environmental Science Atmospheres,
Год журнала:
2024,
Номер
4(8), С. 839 - 847
Опубликована: Янв. 1, 2024
Near-explicit
chemical
mechanisms
representing
toluene
SOA
formation
are
reduced
using
the
GENOA
algorithm
and
used
in
3D
simulations
of
air
quality
over
Greater
Paris
streets
a
district
near
Paris.
Язык: Английский
Multi-generational oxidation mechanism of M-xylene: Unexpected implications for secondary organic aerosol formation
Atmospheric Environment,
Год журнала:
2024,
Номер
327, С. 120511 - 120511
Опубликована: Апрель 5, 2024
Язык: Английский
Towards automated inclusion of autoxidation chemistry in models: from precursors to atmospheric implications
Environmental Science Atmospheres,
Год журнала:
2024,
Номер
4(8), С. 879 - 896
Опубликована: Янв. 1, 2024
In
the
last
few
decades,
atmospheric
formation
of
secondary
organic
aerosols
(SOA)
has
gained
increasing
attention
due
to
their
impact
on
air
quality
and
climate.
However,
methods
predict
abundance
are
mainly
empirical
may
fail
under
real
conditions.
this
work,
a
close-to-mechanistic
approach
allowing
SOA
quantification
is
presented,
with
focus
chain-like
chemical
reaction
called
"autoxidation".
A
novel
framework
employed
(a)
describe
gas-phase
chemistry,
(b)
products'
molecular
structures
(c)
explore
contribution
autoxidation
chemistry
various
As
proof
concept,
method
applied
benzene,
an
important
anthropogenic
precursor.
Our
results
suggest
explain
up
100%
benzene-SOA
formed
low-NO
Язык: Английский
A Near-Explicit Reaction Mechanism of Chlorine-Initiated Limonene: Implications for Health Risks Associated with the Concurrent Use of Cleaning Agents and Disinfectants
Environmental Science & Technology,
Год журнала:
2024,
Номер
unknown
Опубликована: Сен. 4, 2024
Limonene,
a
key
volatile
chemical
product
(VCP)
commonly
found
in
personal
care
and
cleaning
agents,
is
emerging
as
major
indoor
air
pollutant.
Recently,
elevated
levels
of
reactive
chlorine
species
during
bleach
disinfection
have
been
reported
to
increase
oxidative
capacity.
However,
incomplete
knowledge
the
transformation
limonene,
especially
missing
chemistry,
poses
barrier
evaluating
environmental
implications
associated
with
concurrent
use
agents
disinfectants.
Here,
we
investigated
reaction
mechanisms
chlorinated
limonene
peroxy
radicals
(Cl-lim-RO
Язык: Английский