Critical Reviews in Environmental Science and Technology, Journal Year: 2024, Volume and Issue: unknown, P. 1 - 23
Published: Sept. 12, 2024
Language: Английский
Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: May 5, 2025
Feature detection is a crucial step in the data preprocessing workflow of liquid chromatography-mass spectrometry (LC-MS). However, many existing methods are hindered by intricate parameter adjustments and high false positive rates during extracted ion chromatogram (EIC) construction peak detection, which challenges identification spurious missing compounds. This study introduces novel algorithm, local asymmetric Gaussian fitting (LAGF), for detection. LAGF integrates with "data points bins" EIC extraction algorithm to enhance feature efficiency. By using 1 Da bin extraction, computational time significantly reduced, making method well-suited batch metabolomics analysis. minimizes numbers generalized two-sided automatically determining center (μ) height (α) while accommodating standard deviations (σ1 σ2) self-adaptively model patterns. Features filtered based on goodness-of-fit threshold 0.5. The performance was validated mixtures serum samples at different concentrations reversed-phase or hydrophilic interaction LC mode. In most cases, outperformed conventional tools terms determination coefficient (R2) relative deviation detected areas. available as open-source Python code alongside an interactive interface, facilitating implementation both nontargeted targeted LC-MS analysis compound identification.
Language: Английский
Citations
0
Journal of Agricultural and Food Chemistry, Journal Year: 2023, Volume and Issue: 71(30), P. 11599 - 11606
Published: July 20, 2023
Organic
phosphite
antioxidants
(OPAs)
are
widely
added
in
plastic
products
and
can
be
oxidized
to
generate
derivatives
(OPAs
=
O),
namely
organic
phosphate
esters
(OPEs),
during
production
use
processing.
Herein,
the
occurrence
of
OPEs
OPAs
five
food
packages
was
detected
by
liquid
chromatography–tandem
mass
spectrometry.
Three
(TPhP,
TCEP,
AO168
O)
three
(TPhPi,
TCEPi,
AO168)
were
found
packages,
with
concentrations
Language: Английский
Citations
Chemosphere,
Journal Year:
2023,
Volume and Issue:
325, P. 138288 - 138288
Published: March 3, 2023
Language: Английский
Citations
The Science of The Total Environment,
Journal Year:
2023,
Volume and Issue:
906, P. 167447 - 167447
Published: Oct. 1, 2023
Language: Английский
Citations
Critical Reviews in Environmental Science and Technology,
Journal Year:
2024,
Volume and Issue:
unknown, P. 1 - 23
Published: Sept. 12, 2024
Language: Английский
Citations
Organophosphate esters in source, finished, and tap water in Wuhan, China
Discovery and occurrence of organophosphorothioate esters in food contact plastics and foodstuffs from South China: Dietary intake assessment
Secondary organophosphate esters: A review of environmental source, occurrence, and human exposure