Analytica Chimica Acta,
Journal Year:
2024,
Volume and Issue:
1329, P. 343188 - 343188
Published: Aug. 30, 2024
There
is
an
urgent
need
to
replace
fossil-based
fuels
and
chemicals
with
bio-based,
renewable
alternatives.
Water
content
a
critical
parameter
in
these
liquid
products
since
water
affects
their
quality
properties.
However,
currently
existing
methods
for
bio-oil
determination
have
limitations
thus,
there
find
that
are
versatile,
work
wide
sample
consistency
range
repeatably
reliably
safe
the
user
environment.
Analytical Chemistry,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Jan. 20, 2024
Metabolite
profiling
serves
as
a
powerful
tool
that
advances
our
understanding
of
biological
systems,
disease
mechanisms,
and
environmental
interactions.
In
this
study,
we
present
an
approach
employing
19F-nuclear
magnetic
resonance
(19F
NMR)
spectroscopy
for
plasma
amine
profiling.
This
method
utilizes
highly
efficient
reliable
fluorine-labeling
reagent,
3,5-difluorosalicylaldehyde,
which
effectively
emulates
pyridoxal
phosphate,
facilitating
the
formation
Schiff
base
compounds
with
primary
amines.
The
fluorine
labeling
allows
distinct
resolution
19F
NMR
signals
from
mixtures,
leading
to
precise
identification
quantification
metabolites
in
human
plasma.
advancement
offers
valuable
tools
furthering
metabolomics
research.
Metabolites,
Journal Year:
2024,
Volume and Issue:
14(6), P. 332 - 332
Published: June 14, 2024
Neural
networks
(NNs)
are
emerging
as
a
rapid
and
scalable
method
for
quantifying
metabolites
directly
from
nuclear
magnetic
resonance
(NMR)
spectra,
but
the
nonlinear
nature
of
NNs
precludes
understanding
how
model
makes
predictions.
This
study
implements
an
explainable
artificial
intelligence
algorithm
called
integrated
gradients
(IG)
to
elucidate
which
regions
input
spectra
most
important
quantification
specific
analytes.
The
approach
is
first
validated
in
simulated
mixture
eight
aqueous
then
investigated
experimentally
acquired
lipid
reference
standard
murine
hepatic
extract.
IG
revealed
that,
like
human
spectroscopist,
recognize
quantify
analytes
based
on
analyte’s
respective
line-shapes,
amplitudes,
frequencies.
can
compensate
peak
overlap
prioritize
resonances
concentration
determination.
Further,
we
show
modifying
NN
training
dataset
affect
decisions,
provide
examples
this
be
used
de-bug
issues
with
performance.
Overall,
results
that
technique
facilitates
visual
quantitative
inputs
relate
outputs,
potentially
making
more
attractive
option
targeted
automated
NMR-based
metabolomics.
Small,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Feb. 26, 2025
Abstract
Aqueous
nickel‐organic
batteries
have
the
potential
for
grid‐scale
energy
storage
due
to
their
high
safety
and
sustainability
merits.
However,
organic
anodes
generally
store
charge
by
coordinating
with
alkaline
metal
cations,
which
could
cause
electrolyte
consumption.
Here,
azobenzene
(AZO)
is
screened
out
from
carbonyl,
imine,
azo
compounds
serve
as
anodes,
combining
it
Ni(OH)
2
cathodes
construct
a
“rocking‐chair”
type
battery
system.
Qualitative
quantitative
analyses
demonstrate
N═N
group
acts
active
center,
while
protons
carriers
during
electrochemical
reaction.
Benefiting
small
ionic
radius
fast
ions
transport
of
protons,
this
not
only
delivers
an
excellent
rate
performance,
capacity
281.5
mAh
g
−
¹
at
current
density
1C
(0.3
A
¹)
maintains
274.4
100C,
but
also
exhibits
remarkable
long‐term
cycling
stability,
retaining
92.5%
its
initial
after
10
000
cycles.
Additionally,
pouch
cell
discharge
1.36
Ah
assembled,
yielding
64.3
Wh
kg
(based
on
total
mass).
This
work
expands
range
anode
materials,
inspires
development
aqueous
proton
mechanism.
Analytical Methods,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 1, 2025
A
comparison
of
ultra-resolved
pure
shift
NMR
techniques,
mitigating
the
resolution
problem
compact
instruments,
showed
that
J-resolved
double
echo
is
most
performant
technique,
enabling
profiling
biological
complex
mixtures.
Journal of Natural Products,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 14, 2025
Natural
polymers
have
garnered
attention
due
to
their
unique
properties,
i.e.,
structural
versatility,
biocompatibility,
and
modifiability.
Recent
efforts
focus
on
sustainable
raw
materials
develop
environmentally
friendly
processes
products
that
align
with
global
sustainability
goals.
Among
these,
Chios
mastic
gum,
derived
from
the
tree
(Pistacia
lentiscus
var.
Chia),
is
notable
for
its
diverse
food,
pharmaceutical,
cosmetics
applications.
One
of
key
components
cis-1,4-poly-β-myrcene,
a
natural
polyterpene
polymer,
constituting
20-30%
resin's
composition.
Despite
potential,
complex
composition
gum
poses
challenges
in
extracting,
isolating,
quantifying
polymeric
content.
NMR
spectroscopy
offers
nondestructive
approach
may
be
instrumental
developing
standardized
methods
cis-1,4-poly-β-myrcene
gum.
Such
are
vital
understanding
exploring
potential
applications,
particularly
biomedical
fields.
This
study
addresses
these
by
producing
sample
as
standard
quantification
procedures.
Centrifugal
partition
chromatography,
support-free
liquid-liquid
chromatography
technique,
was
employed
purify
fraction.
The
polymer
then
characterized
through
size
exclusion
methods,
including
DOSY
quantitative
HSQC
experiments,
facilitate
an
accurate
analysis
open
door
further
applications
this
polymer.
Magnetic Resonance in Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 6, 2025
ABSTRACT
Multiple
2D
HSQC
NMR
methods
have
been
developed
for
the
absolute
quantitation
of
metabolites
in
complex
mixtures
without
need
external
calibration
or
standard
additions.
However,
analytical
comparison
between
these
is
lacking.
This
study
aims
at
comparing
performance
two
“intrinsically
quantitative”
heteronuclear
targeted
metabolite
mixtures:
0
and
Q
QUIPU
HSQC.
Each
method
was
applied
on
a
model
mixture
same
total
experiment
time.
Both
were
accelerated
with
non‐uniform
sampling
(NUS),
then
further
by
combining
NUS
variation
pulse
sequence
repetition
time
(VRT).
metrics
evaluated
compared
quantitation,
including
trueness,
repeatability,
sensitivity.
Globally,
versions
sequences,
using
VRT,
performed
better
than
NUS‐only
acquisitions.
On
one
hand,
provided
enough
sensitivity
achieved,
observed
,
which
also
appears
as
more
user‐friendly
technique.
other
shown
to
be
repeatable
sensitive.
Abstract
Acerola
(Barbados
cherries)
has
become
a
highly
traded
superfruit
because
it
contains
many
phytonutrients
and
is
good
source
of
vitamin
C.
The
fruits
Malpighia
glabra,
M.
emarginata
are
utilized
in
food
products,
dietary
supplements
natural
health
products.
However,
there
differences
among
the
fruit
Malpighia
species
with
respect
to
phytochemicals,
nutrient
value
clinical
research.
Furthermore,
evidence
adulteration
other
such
as
cherries
(Prunus
spp.).
Unfortunately,
conventional
morphological
examination
does
not
distinguish
acerola
species.
no
published
methods
available
these
including
chemical
DNA
based
techniques.
This
risk
quality
assurance
(QA)
increased
when
considering
processed
berries
into
juice
or
powdered
ingredients
which
most
common
for
manufactures.
lack
QA
also
increases
cheaper
from
goal
this
research
provide
orthogonal
molecular
authenticate
discuss
benefits
constraints
two
different
methods.
supports
programs
fit-for-purpose
verifying
authenticity
suppliers.
