Computational and experimental study of terpolymers: spectroscopic, thermal, thermochemical, molecular property, and in silico toxicity analysis
Drug and Chemical Toxicology,
Journal Year:
2025,
Volume and Issue:
unknown, P. 1 - 17
Published: Feb. 28, 2025
In
this
study,
a
comprehensive
analysis
of
the
CMA2OEM-co-DVB-co-AMPS
(2-(bis(cyanomethyl)amino)-2-oxoethyl
methacrylate-co-divinylbenzene-co-2-acrylamido-2-methyl-1-propanesulfonic
acid)
and
CMA2OEM-co-DVB-co-VIM
methacrylate-co-divinylbenzene-co-vinylimidazole)
terpolymers
was
conducted.
The
structural
chemical
properties
were
examined
using
Fourier
transform
infrared
(FT-IR)
spectroscopy,
frontier
molecular
orbital
analysis,
electrostatic
potential
(MEP)
maps,
1H,
13C
NMR
thermochemistry
surface
maps
(TCSM),
toxicity
assessments,
physical
properties,
electron
localization
function
(ELF),
total
(ESP)
analyses.
silico
analyses,
quantitative
structure–activity
relationship
(QSAR)
model
used
for
Toxicity
Estimation
Software
Tool
(TEST)
ProTox
3.0,
web-based
virtual
laboratory,
oral
prediction.
estimates
TEST
showed
that
both
exhibited
low
profiles.
Oral
prediction
emphasizes
may
pose
greater
risk
compared
to
CMA2OEM-co-DVB-co-AMPS.
addition,
experimental
thermal
characterization
these
also
performed.
These
analyses
have
provided
significant
insights
into
applications
functional
terpolymers.
Language: Английский
Insight into the Specific Adsorption of Cu(II) by a Zinc-Based Metal–Organic Framework Mediated via a Proton-Exchange Mechanism
Langmuir,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 12, 2025
In
the
context
of
scarce
metal
resources,
one-step
separation
and
recovery
high-value
copper
ions
from
secondary
resources
is
significant
importance
presents
substantial
challenges.
This
study
identified
a
Zn-based
triazole
MOF
(Zn(tr)(OAc))
with
accessible
noncoordinated
terminal
hydroxyl
groups
within
its
framework.
The
Zn(tr)(OAc)
surpasses
most
currently
reported
Cu-specific
adsorbents
regarding
adsorption
capacity
Cu2+
selectivity.
Furthermore,
in
experiment
Cu2+,
concentration
was
increased
79.64%
simulated
resource
solution
to
98.62%
adsorbed
phase.
Both
experimental
theoretical
studies
indicated
that
high
ion
selectivity
for
primarily
due
specific
recognition
ability
(-OH)
group,
enabling
only
undergo
proton
exchange
hydrogen.
strong
material
attributed
not
between
framework
but
also
interactions
nitrogen
(N)
oxygen
(O)
atoms
heterocyclic
rings
Cu2+.
summary,
demonstrates
great
potential
provides
additional
possibilities
enhancing
MOF-based
adsorbents.
Language: Английский
Ultrasound-Assisted Community Bureau of Reference (BCR) Procedure for Heavy Metal Removal in Sewage Sludge
Materials,
Journal Year:
2024,
Volume and Issue:
17(22), P. 5452 - 5452
Published: Nov. 8, 2024
Sewage
sludge
(SS)
resulting
from
wastewater
treatment
plants
(WWTP)
is
commonly
applied
worldwide
as
a
fertilizer
in
agriculture.
This
can
be
done
following
rigorous
analysis
of
the
sewage
composition.
Due
to
its
toxic
potential,
heavy
metal
ion
content
one
key
parameters
test
when
evaluating
SS
sample
usage
fertilizer.
The
distribution
metals
present
samples
produced
by
five
municipal
WWTPs
Romania
was
studied.
To
obtain
information
regarding
SS,
modified
ultrasound-assisted
extraction
procedure
Community
Bureau
Reference
(BCR)
employed
for
As,
Cd,
Cr,
Cu,
Mo,
Ni,
Pb,
Zn,
and
Co
quantitation.
Concentrations
these
were
measured
using
ICP-EOS
spectrometry.
Method
accuracy
verified
CRM-483
certified
reference
material.
Results
show
that
efficiency
lowest
exchangeable
fraction
all
studied
metals.
detected
found
distributed
fractions
(F)
2,
3
4,
which
are
unavailable
groundwater
under
natural
environmental
conditions.
One
noteworthy
finding
ultrapure
water
leachate
resulted
low
solubility,
indicating
slight
desorption
real
samples.
Furthermore,
maize
stalk
bio-adsorbent
used
minimize
WWTP
storage
terms
adsorption.
Language: Английский
Utilizing flaxseed pulp waste as a valuable agricultural biomass product for the removal of Cu2+ and Ni2+
Biomass Conversion and Biorefinery,
Journal Year:
2024,
Volume and Issue:
unknown
Published: June 12, 2024
Language: Английский
Current Trends in Development and Use of Polymeric Ion-Exchange Resins in Wastewater Treatment
Materials,
Journal Year:
2024,
Volume and Issue:
17(23), P. 5994 - 5994
Published: Dec. 6, 2024
Drinking
and
wastewater
are
to
be
treated
for
safe
human
consumption
keeping
surface
waters
clean.
There
multiple
water
purification
procedures,
but
the
use
of
ion-exchange
resins
significantly
enhances
efficiency.
This
review
was
targeted
on
highlighting
concept
classification
polymeric
as
well
pointing
out
their
real-world
applications.
Their
successful
purposes
has
been
linked
chemical
structure,
simplicity
operation,
accessibility,
reusability.
Therefore,
have
used
removal
a
wide
range
organic
inorganic
pollutants
such
pharmaceutical
compounds,
dyes,
matter,
metals,
many
others.
Ion-exchange
obtained
directly
by
synthesis
methods
or
grafting
ionizable
groups
polymer
matrix
in
order
ensure
continuous
improvement.
Furthermore,
newly
designed
take
into
consideration
biodegradability
potential
towards
obtaining
ecofriendly
compounds.
Language: Английский