The Journal of Physical Chemistry C,
Journal Year:
2024,
Volume and Issue:
128(50), P. 21531 - 21538
Published: Dec. 10, 2024
Chitosan
is
a
nontoxic
biopolymer
with
many
potential
biomedical
and
material
applications
due
to
its
biodegradability,
biocompatibility,
antimicrobial
properties.
Here,
fully
atomistic
molecular
dynamics
simulations
enhanced
sampling
methods
have
been
used
study
the
adsorption
mechanism
of
chitosan
oligomers
on
silica
surface
from
an
aqueous
solution.
The
free
energy
was
calculated
be
0.6
kcal
mol–1
per
monomer
in
0.15
mol
L–1
solution,
which
comparable
kBT
at
room
temperature.
loading
capacity
found
0.094
mg
m–2,
it
dominated
by
charge
compensation.
Furthermore,
hydrogen
bonding
between
analyzed.
nitrogen
hydroxyl
group
oxygen
atoms
were
main
contributors
silica.
These
findings
guide
experimental
design
chitosan-coated
nanoparticles
for
such
as
drug
delivery
or
additives
food
packaging.
Processes,
Journal Year:
2024,
Volume and Issue:
12(9), P. 1894 - 1894
Published: Sept. 4, 2024
Technological
advancements
in
nanofibers
and
production
technologies
have
led
to
being
applied
various
applications.
Nanofibers
are
produced
by
a
variety
of
techniques
such
as
electrospinning,
drawing,
self-assembly,
phase
separation,
others.
Electrospinning
is
widely
used
due
its
versatility
scalability.
Nanofiber
other
still
limited
the
laboratory
scale,
hence
dominance
electrospinning.
The
has
seen
them
applications
health,
protection,
clothing,
filtration,
packaging,
electronics.
Their
large
surface
area,
small
diameters,
porous
structures
make
good
materials
these
diverse
fields.
incorporated
with
nanoparticles
enhance
stability.
In
biomedical
applications,
drug
delivery
systems,
wound
healing,
tissue
engineering
because
their
biocompatibility
biodegradability.
fields
like
porosity,
flexibility.
These
properties
also
highly
effective
where
size
area
allow
efficiently
remove
significant
number
contaminants.
Additionally,
utilized
flexible
electronics,
enhancing
comfort
wearable
devices.
Biopolymers
adopted
address
environmental
health
concerns
traditional
nanofiber
materials.
biodegradable
biocompatible;
however,
stability
can
be
affected
conditions.
This
work
highlights
nanofibers,
especially
environmentally
friendly
water
treatment,
technical
textiles.
The Journal of Physical Chemistry C,
Journal Year:
2024,
Volume and Issue:
128(50), P. 21531 - 21538
Published: Dec. 10, 2024
Chitosan
is
a
nontoxic
biopolymer
with
many
potential
biomedical
and
material
applications
due
to
its
biodegradability,
biocompatibility,
antimicrobial
properties.
Here,
fully
atomistic
molecular
dynamics
simulations
enhanced
sampling
methods
have
been
used
study
the
adsorption
mechanism
of
chitosan
oligomers
on
silica
surface
from
an
aqueous
solution.
The
free
energy
was
calculated
be
0.6
kcal
mol–1
per
monomer
in
0.15
mol
L–1
solution,
which
comparable
kBT
at
room
temperature.
loading
capacity
found
0.094
mg
m–2,
it
dominated
by
charge
compensation.
Furthermore,
hydrogen
bonding
between
analyzed.
nitrogen
hydroxyl
group
oxygen
atoms
were
main
contributors
silica.
These
findings
guide
experimental
design
chitosan-coated
nanoparticles
for
such
as
drug
delivery
or
additives
food
packaging.
