Environmental Science & Technology,
Journal Year:
2024,
Volume and Issue:
58(46), P. 20444 - 20456
Published: Nov. 7, 2024
Humic
substances
are
organic
mixtures
of
extreme
complexity,
which
significantly
complicate
their
analysis
by
any
method.
Fractionation
into
more
homogeneous
seems
to
be
almost
the
only
way
overcome
these
difficulties.
Preparative
high-performance
liquid
chromatography
(HPLC)
provides
amounts
required
for
both
further
fractionation
and
studies
other
methods.
For
first
time,
isopropyl
alcohol
(IPA)
is
proposed
purposes;
its
advantages
shown
example
groundwater
fulvic
acids
(FA).
IPA
much
safer
than
conventional
solvents
elutes
most
nonpolar
compounds
that
nonelutable
methanol
acetonitrile.
The
isolated
fractions
differ
in
molecular
composition,
confirmed
ultrahigh-resolution
mass
spectrometry
spectroscopy.
Stepwise
IPA-gradient
HPLC-UV
each
preparative
fraction
demonstrates
possibilities
multidimensional
HPLC
FA.
were
studied
contents
a
broad
range
elements,
relationships
between
trace-element
compositions
revealed.
Our
data
reveals
existence
numerous
different
organometal
FA
composition;
thus,
approach
can
used
in-depth
study
mechanisms
element
migration
environment.
ACS ES&T Water,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 2, 2025
Dissolved
organic
matter
(DOM)
is
an
important
geochemical
feature
connecting
pollutants
and
microorganisms
in
groundwater.
However,
the
patterns
of
DOM–microbial
community
interactions
caused
by
spatial
distribution
differences
remain
unclear,
necessitating
construction
a
correlation
network
to
elucidate
relationships
between
DOM
accurately
predict
biodegradation
process
pollutants.
This
study
selected
chlorobenzene
(CBs)-contaminated
bioremediation
site
analyze
fluorescent
components
molecular
structures
Microbial
metabolic
activities
were
more
active
areas
with
high
CBs
concentration,
leading
significant
microbial
source
contributions
DOM.
Intense
degradation
processes
accompanied
transformation
highly
oxidized
unsaturated
Co-occurrence
analysis
revealed
that
communities
exhibited
density,
Pseudomonas
playing
crucial
role
The
constructed
DOM–CBs–microbial
relationship
showed
indices,
such
as
O/C,
NOSC,
CHO
(%),
strongly
correlated
structure
could
directly
indicate
CBs.
characteristics
their
links
provide
rapid
accurate
method
monitor
contaminated
Rapid Communications in Mass Spectrometry,
Journal Year:
2025,
Volume and Issue:
39(13)
Published: April 14, 2025
ABSTRACT
Rationale
The
high
chemodiversity
of
marine
dissolved
organic
matter
(DOM)
has
challenged
identification
singular
DOM
components.
To
infer
chemical
structure
features
with
accurately
determined
molecular
formulas,
we
assessed
if
empirically
elution
properties
stoichiometrically
identical
isomers
obtained
from
a
database
would
predict
features,
such
as
the
type
and
number
functional
groups,
in
structurally
unknown
isomers.
Methods
different
origin
(North
Sea,
Southern
Ocean)
was
analysed
by
LC‐FT‐MS
using
two
mass
spectrometry
methods.
Chromatographic
retention
correlated
calculated
known
PubChem.
A
total
7.7
million
identifiers
were
queried
for
their
computed
octanol–water
coefficients
(logP).
50
most
intense
formulas
PubChem
data
files.
structural
assigned
to
logP
bins
across
window,
correlate
contribution
database‐derived
time
Results
intensity‐weighted
average
C
x
H
y
O
z
Ocean
water,
predicted
all
good
agreement
values
stored
comparatively
longer
same
isomer
North
Sea
versus
suggests
decoration
fewer
alcohol
groups
more
ring
structures
esters.
Earlier
eluting
are
likely
contain
rings
alcohols,
while
later
ones
linear/branched
Conclusions
We
hypothesised
belonging
older
water
elute
earlier
than
young
less
degraded
molecules
present
water.
This
hypothesis
verified
based
on
three
exemplarily
selected
cooccurring
samples.
Our
strategy
circumvents
issues
chimeric
fragmentation
spectra
furthermore
adds
new
physicochemical
descriptor
molecules.
Magnetic Resonance in Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 13, 2025
ABSTRACT
NMR
provides
unprecedented
molecular
information,
urgently
needed
by
environmental
researchers
and
policy
makers.
However,
is
underutilized
in
sciences
due
to
the
lack
of
available
technologies,
limited
environmental‐specific
training
opportunities,
easy‐to‐use
workflows.
has
considerable
potential
as
a
discovery
tool
for
novel
pollutants,
by‐products,
exemplified
recent
degradation
by‐product
rubber
additive,
6PPD‐quinone,
now
considered
one
most
toxic
compounds
presently
known.
This
work
represents
proof‐of‐concept
case
study
highlighting
use
profile
effluents
from
38
industries
across
Ontario,
Canada.
Wastewater
various
industrial
sectors
were
analyzed
using
several
1D
2D
1
H/
13
C
19
F
experiments
screened
both
unconcentrated
after
lyophilization.
Common
species
could
be
identified
human
metabolic
databases,
but
databases
desperately
need
further
development.
An
example
manually
identifying
unusual
signatures
included;
these
resulted
phosphinic
phosphonic
acids
originating
electroplating
industry,
which
impacts
are
not
well
understood.
Basic
H
quantification
performed
ERETIC,
while
an
optimized
approach
combining
relaxation
agents
steady‐state‐free‐precession
NMR,
reduce
detection
limits
(at
500
MHz)
sub‐ppb
(<
μg/L)
under
15
min,
demonstrated.
The
future
benchtop
(80
also
considered.
paper
guide
others
interested
applying
spectroscopy
media
demonstrates
complementary
assist
MS
pollutant
discovery.
Chemical and Biological Technologies in Agriculture,
Journal Year:
2024,
Volume and Issue:
11(1)
Published: Aug. 29, 2024
Dissolved
organic
matter
(DOM)
plays
a
significant
role
in
the
biogeochemical
cycle
of
crucial
elements
aquatic
ecosystem.
However,
it
is
still
not
clear
on
spectral
characteristics
water
DOM
different
types
alpine
wetlands,
which
have
less
anthropogenic
influences
and
intensive
ultraviolet
radiation.
Here,
we
collected
107
samples
from
marsh,
lake,
river
wetlands
Zoige
plateau,
China,
analyzed
chemical
characteristics,
compositions,
potential
sources
chromophoric
by
combining
UV–vis
spectroscopy
excitation–emission
matrix
fluorescence
coupled
with
parallel
factor
analysis
(EEMs-PARAFAC).
UVC
UVA
fulvic-like
substances
were
prevailing
components
DOM,
accounted
for
23.74–71.59%
16.76–30.01%
total
intensity,
respectively.
Compared
lake
fluoresce
intensities
higher
marsh
wetland.
Marsh
possessed
highest
SUVA254,
E2/E3,
E2/E4,
E4/E6
suggesting
humification
degree,
relative
molecular
nominal
size,
aromaticity.
And
E2/E4
ratios
most
than
12,
indicating
was
mainly
derived
autochthonous
wetlands.
Wetland
strongly
affected
plateau.
These
findings
may
be
beneficial
sustainable
management
ACS ES&T Water,
Journal Year:
2024,
Volume and Issue:
4(11), P. 4908 - 4916
Published: Oct. 10, 2024
The
coal
gasification
process
generates
a
large
amount
of
toxic
and
highly
concentrated
industrial
wastewater,
posing
significant
challenges
for
its
efficient
treatment
due
to
the
presence
dissolved
organic
matter
(DOM).
This
paper
employs
high-resolution
tandem
mass
spectrometry
delineate
molecular
composition
structure
characterization
wastewater
(CGW)
DOM,
as
well
reaction
activity
in
processes.
results
showed
that
CGW
DOM
is
predominantly
composed
oxygenated
nitrogenous
compounds,
with
inducing
shift
toward
saturation
oxidized
states
polyphenols
polycyclic
aromatic
compounds.
In
comparison
oxygen-
sulfur-containing
nitrogen-containing
compounds
posed
greater
challenge
degradation,
particularly
those
exist
form
nitrogen
heterocycle
rings.
Furthermore,
indene
ring-based
oxygen-containing
exhibited
lower
removal
efficiencies
than
their
benzene
counterparts
during
treatment.
effluent
from
advanced
oxidation
processes
mainly
characterized
by
prevalence
simple
naphthenic
rings,
indenes,
etc.,
conjunction
multiple
hydroxyl
carboxyl
functional
groups.
These
observations
are
crucial
comprehensive
understanding
pollutant
transformation
mechanisms,
facilitating
accurate
effective
implementation
contributing
energy
conservation
consumption
reduction.