An Enhanced Protocol to Expand Human Exposome and Machine Learning-Based Prediction for Methodology Application
Environmental Science & Technology,
Год журнала:
2025,
Номер
unknown
Опубликована: Фев. 10, 2025
The
human
exposome
remains
limited
due
to
the
challenging
analytical
strategies
used
reveal
low-level
endocrine-disrupting
chemicals
(EDCs)
and
their
metabolites
in
serum
urine.
This
limits
integrity
of
EDC
exposure
assessment
hinders
understanding
cumulative
health
effects.
In
this
study,
we
propose
an
enhanced
protocol
based
on
multi-solid-phase
extraction
(multi-SPE)
expand
with
polar
EDCs
train
a
machine
learning
(ML)
model
for
methodology
prediction
molecular
descriptors.
measurement
70
(25%)
34
(12%)
out
295
well-acknowledged
urine
compared
hydrophilic–lipophilic
balance
sorbent
alone.
nontarget
analysis
from
20
women
childbearing
age
cohort
498,
controlling
occupational
factors
daily
behaviors
high
chemical
potential,
multi-SPE
increased
10
(40%)
16
(53%)
target
identification
17
(77%)
(36%)
(confidence
≥
level
3)
urine,
respectively.
Interestingly,
ML
predicted
that
could
identify
additional
38%
most
bioactive
chemicals.
conclusion,
advances
by
expanding
profiles.
Язык: Английский
Prevalence of tetrabromobisphenol A and its related compounds in an anthropogenic impacted soil-groundwater system: Concern for understudied derivatives
Environmental Chemistry and Ecotoxicology,
Год журнала:
2025,
Номер
unknown
Опубликована: Фев. 1, 2025
Язык: Английский
Mechanistic Insights into Carbon Black-Activated AKT/TMEM175 Cascade Impairing Macrophage-Epithelial Cross-Talk and Airway Epithelial Proliferation
Environmental Pollution,
Год журнала:
2025,
Номер
unknown, С. 126076 - 126076
Опубликована: Март 1, 2025
Язык: Английский
Bioaccumulation and Maternal Transfer of Brominated Flame Retardants in Poultry and the Health Risks from Dietary Exposure
Environment & Health,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 17, 2025
Язык: Английский
Exposome-Scale Investigation of Cl-/Br-Containing Chemicals Using High-Resolution Mass Spectrometry, Multistage Machine Learning, and Cloud Computing
Analytical Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Май 22, 2025
Over
70%
of
organic
halogens,
representing
chlorine-
and
bromine-containing
disinfection
byproducts
(Cl-/Br-DBPs),
remain
unidentified
after
50
years
research.
This
work
introduces
a
streamlined
cloud-based
exposomics
workflow
that
integrates
high-resolution
mass
spectrometry
(HRMS)
analysis,
multistage
machine
learning,
cloud
computing
for
efficient
analysis
characterization
Cl-/Br-DBPs.
In
particular,
the
learning
structure
employs
progressively
different
heavy
isotopic
peaks
at
each
layer
capture
distinct
characteristics
nonhalogenated
compounds
Cl-/Br-compounds
halogenation
levels.
innovative
approach
enables
recognition
22
types
with
up
to
6
Br
8
Cl
atoms.
To
address
data
imbalance
among
classes,
particularly
limited
number
heavily
chlorinated
brominated
compounds,
perturbation
is
performed
generate
hypothetical/synthetic
molecular
formulas
containing
multiple
atoms,
facilitating
augmentation.
further
benefit
environmental
chemistry
community
computational
experience
hardware
access,
above
innovations
are
incorporated
into
HalogenFinder
(http://www.halogenfinder.com/),
user-friendly,
web-based
platform
Cl-/Br-compound
characterization,
statistical
support
via
MetaboAnalyst.
benchmarking,
outperformed
two
established
tools,
achieving
higher
rate
277
authentic
uniquely
identifying
Cl/Br
laboratory
tests
DBP
mixtures,
it
identified
72
Cl-/Br-DBPs
proposed
structures,
which
eight
were
confirmed
chemical
standards.
A
retrospective
2022
finished
water
HRMS
revealed
insightful
temporal
trends
in
Cl-DBP
features.
These
results
demonstrate
HalogenFinder's
effectiveness
advancing
identification
science
exposomics.
Язык: Английский
Prenatal Pesticide Exposure and Adverse Reproductive Outcomes: Epidemiological Evidence and Mechanistic Insights
Yubing Ma,
Daniel Schleck,
Jing Liu
и другие.
Journal of Hazardous Materials,
Год журнала:
2025,
Номер
494, С. 138792 - 138792
Опубликована: Май 30, 2025
Язык: Английский
Kinetic stability and transformation pathway of halogenated nitrophenols in drinking water
Journal of Hazardous Materials,
Год журнала:
2025,
Номер
unknown, С. 138812 - 138812
Опубликована: Июнь 1, 2025
Язык: Английский
First Evidence of Novel Organothiophosphate Esters as Prevalent New Pollutants in Dust from Automotive Repair Shops Discovered by High-Resolution Mass Spectrometry
Environmental Science & Technology,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 24, 2024
The
occurrence
of
organophosphorus
compounds
has
garnered
global
concern
due
to
their
widespread
production
and
potential
environmental
risks.
Limited
structural
information
hindered
a
comprehensive
understanding
composition.
By
characteristic
fragmentation-based
nontarget
analysis,
the
composition
organothiophosphate
esters
(OTPEs),
which
are
antiwear
additives
in
lubricant
oils
that
have
received
little
attention
previously,
were
investigated
dust
from
automotive
repair
shops
surrounding
buildings.
Fourteen
OTPEs
tentatively
identified,
including
four
triarylphosphorothionates,
six
Язык: Английский
Base-driven dehydrohalogenation coupled with catalytic hydrodehalogenation as a novel strategy for rapid dehalogenation of halogenated organic compounds containing aliphatic C-X bonds
Journal of environmental chemical engineering,
Год журнала:
2024,
Номер
12(6), С. 114983 - 114983
Опубликована: Ноя. 29, 2024
Язык: Английский