Molecular Simulation Studies of Pharmaceutical Pollutant Removal (Rosuvastatin and Simvastatin) Using Novel Modified-MOF Nanostructures (UIO-66, UIO-66/Chitosan, and UIO-66/Oxidized Chitosan)
Iman Salahshoori,
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Ali Vaziri,
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Reza Jahanmardi
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et al.
ACS Applied Materials & Interfaces,
Journal Year:
2024,
Volume and Issue:
16(20), P. 26685 - 26712
Published: May 9, 2024
The
ubiquitous
presence
of
pharmaceutical
pollutants
in
the
environment
significantly
threatens
human
health
and
aquatic
ecosystems.
Conventional
wastewater
treatment
processes
often
fall
short
effectively
removing
these
emerging
contaminants.
Therefore,
development
high-performance
adsorbents
is
crucial
for
environmental
remediation.
This
research
utilizes
molecular
simulation
to
explore
potential
novel
modified
metal-organic
frameworks
(MOFs)
pollutant
removal,
paving
way
design
efficient
strategies.
Utilizing
UIO-66,
a
robust
MOF,
as
base
material,
we
developed
UIO-66
functionalized
with
chitosan
(CHI)
oxidized
(OCHI).
These
MOFs'
physical
chemical
properties
were
first
investigated
through
various
characterization
techniques.
Subsequently,
dynamics
(MDS)
Monte
Carlo
(MCS)
employed
elucidate
adsorption
mechanisms
rosuvastatin
(ROSU)
simvastatin
(SIMV),
two
prevalent
pollutants,
onto
nanostructures.
MCS
calculations
demonstrated
significant
enhancement
energy
by
incorporating
CHI
OCHI
into
UIO-66.
increased
ROSU
from
-14,522
-16,459
kcal/mol
SIMV
-17,652
-21,207
kcal/mol.
Moreover,
MDS
reveals
rejection
rates
neat
be
at
40%,
rising
60
70%
OCHI.
Accumulation
increase
4
Å
6
9
UIO-CHI
UIO-OCHI.
Concentration
analysis
shows
surges
50
90%,
accumulation
increasing
11
Functionalizing
enhanced
capacity
selectivity
SIMV.
Abundant
hydroxyl
amino
groups
facilitated
strong
interactions,
improving
performance
over
that
unmodified
Surface
functionalization
plays
vital
role
customizing
MOFs
removal.
insights
guide
next-gen
adsorbent
development,
offering
high
efficiency
treatment.
Language: Английский
Intriguing and boosting molybdenum sulfide (MoS2)-based materials for decontamination and purification of wastewater/seawater: An upgraded review
Ru Jiang,
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Mei Xiao,
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Huayue Zhu
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et al.
Separation and Purification Technology,
Journal Year:
2024,
Volume and Issue:
351, P. 128063 - 128063
Published: May 22, 2024
Language: Английский
Synergistic Properties of Single-Component Hexagonal Iron Borate for Superior and Sustainable Photo-Fenton Catalysis
Po-Yi Wu,
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J. H. Hsu,
No information about this author
Tzu‐Jen Lin
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et al.
Journal of environmental chemical engineering,
Journal Year:
2025,
Volume and Issue:
unknown, P. 115558 - 115558
Published: Jan. 1, 2025
Language: Английский
Occurrence, Ecotoxicity, and Photocatalytic Remediation of Antiretroviral Drugs in Global Surface Water Matrices
Catalysts,
Journal Year:
2025,
Volume and Issue:
15(4), P. 381 - 381
Published: April 15, 2025
The
increasing
presence
of
pharmaceuticals,
particularly
antiretroviral
drugs
(ARVs),
in
wastewater
has
raised
concerns
regarding
their
environmental
and
health
impacts.
Photocatalysis,
driven
by
advanced
photocatalysts,
such
as
coloured
TiO2,
ZnO,
composites
with
carbon-based
materials,
shown
promise
an
effective
method
for
degrading
these
pollutants.
Despite
significant
laboratory-scale
success,
challenges
remain
scaling
this
technology
real-world
applications,
terms
photocatalyst
stability,
the
formation
toxic
degradation
by-products,
economic
feasibility.
This
paper
explores
current
state
photocatalytic
ARVDs,
emphasizing
need
further
research
into
pathways,
development
more
efficient
cost-effective
integration
photocatalysis
hybrid
treatment
systems.
future
hinges
on
improving
scalability,
reactor
design,
systems
that
combine
traditional
methods
to
ensure
comprehensive
pollutant
removal.
Innovations
catalyst
design
optimization
are
essential
advancing
a
viable
solution
large-scale
treatment.
Language: Английский
Design, mechanism and environmental application of Fenton-type based catalytic membranes
Separation and Purification Technology,
Journal Year:
2024,
Volume and Issue:
unknown, P. 130619 - 130619
Published: Nov. 1, 2024
Language: Английский
Graphitic Carbon Nitride Confers Bacterial Tolerance to Antibiotics in Wastewater Relating to ATP Depletion
Molecules,
Journal Year:
2024,
Volume and Issue:
29(23), P. 5780 - 5780
Published: Dec. 6, 2024
Graphitic
carbon
nitride
(C
Language: Английский
Assessment of the effectiveness of atmospheric plasma on the removal of selected pharmaceuticals from water
Aleksandra Wypart-Pawul,
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Ewa Neczaj,
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Anna Grosser
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et al.
Desalination and Water Treatment,
Journal Year:
2024,
Volume and Issue:
320, P. 100600 - 100600
Published: July 10, 2024
Plasma,
next
to
solids,
liquids
and
gases,
is
considered
the
fourth
state
of
matter,
occurring
in
ground
or
excited
state,
having
a
neutral
charge.
Its
scope
application
wide
constantly
expanding.
The
conducted
research
aimed
determine
impact
atmospheric
plasma
for
removing
selected
pharmaceuticals:
diclofenac
(DFC),
sulfamethoxazole
(SMX),
trimethoprim
(TMP),
carbamazepine
(CBZ)
caffeine
(CAF)
from
water
on
laboratory
scale.
concentration
tested
pharmaceuticals
was
20
mg/L.
analyzed
samples
were
exposed
continuous
stream
cold
plasma.
contact
time
sample
with
ranged
seconds
minutes
-
depending
pharmaceutical.
By
examining
degree
reduction
pharmaceutical
substances
before
after
treatment
process,
subjected
high-performance
liquid
chromatography
analysis.
removal
efficiency
individual
reached
up
98
%.
confirms
great
potential
using
as
tool
elimination
compounds.
Cold
can
be
used
purification
wastewater
treatment.
Based
effects
free
radical
oxidation,
UV
radiation
pyrolysis,
we
eliminate
dangerous
micropollutants
more
economical
effective
way.
Language: Английский
Fe Immobilized within Accordion-Like Tubular Carbon Nitride As a Catalyst for the Fenton-Like Degradation of Ranitidine: Synergetic Roles of •OH and 1O2
Yu Yin,
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Rongrong Fang,
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Bing Hu
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et al.
Industrial & Engineering Chemistry Research,
Journal Year:
2024,
Volume and Issue:
63(34), P. 15165 - 15175
Published: Aug. 15, 2024
Advanced
oxidation
processes
(AOPs)
based
on
H2O2
are
considered
effective
strategies
to
remove
emerging
organic
pollutants
from
water
bodies.
In
this
work,
Fenton-like
Fe-based
catalysts
were
fabricated
through
a
simple
hydrothermal
calcination
method.
Fe
was
immobilized
within
carbon
nitride
with
structure
of
accordion-like
hollow
nanotubes
enriched
open
chinks
(atCN).
The
Fe-atCN
employed
for
reactions
degrade
ranitidine
(RAN).
Due
the
unique
atCN
substrate
and
Fe–N
interactions
established
between
highly
dispersed
sites
matrix,
3.4Fe-atCN/H2O2
system
able
completely
eliminate
RAN
30
min
at
an
initial
pH
3
(k
=
0.143
min–1).
It
also
remained
active
after
four
cycles
regeneration.
Moreover,
showed
good
adaptability
in
range
3–6,
coexisting
inorganic
anions,
diverse
Good
oxidative
activities
various
demonstrated,
including
sulfamethoxazole,
tetracycline,
4-chlorophenol,
methyl
orange.
Afterward,
mechanism
exploration
suggested
that
dominant
reactive
oxygen
species
driving
degradation
not
only
generally
reported
•OH
but
unexpected
nonradical
1O2.
activation
3.4Fe-atCN
H2O2,
intermediates,
pathways
then
unveiled
providing
further
guidance
development
technology.
Language: Английский