Frontiers in Chemistry,
Journal Year:
2022,
Volume and Issue:
10
Published: Sept. 8, 2022
Efficient
cobalt-metal
organic
framework
(Co-MOF)
was
prepared
via
a
controllable
microwave-assisted
reverse
micelle
synthesis
route.
The
products
were
characterized
by
SEM
image,
N2
adsorption/desorption
isotherm,
FTIR
spectrum,
and
TG
analysis.
Results
showed
that
the
have
small
particle
size
distribution,
homogenous
morphology,
significant
surface
area,
high
thermal
stability.
physicochemical
properties
of
final
remarkable
compared
with
other
MOF
samples.
newly
synthesized
nanostructures
used
as
recyclable
catalysts
in
1,4-dihydropyridine
derivatives.
After
confirmation
related
structures,
antioxidant
activity
derivatives
based
on
DPPH
method
evaluated
relationship
between
structures
observed.
In
addition
to
recyclability,
catalytic
Co-MOF
studied
this
research
has
effects
1,4
dihydropyridine
Microscopy Research and Technique,
Journal Year:
2022,
Volume and Issue:
85(11), P. 3553 - 3564
Published: Aug. 19, 2022
In
this
research,
silver-doped
zinc
oxide
(SdZnO)
nanoparticles
(NPs)
were
synthesized
in
an
environmental-friendly
manner.
The
NPs
identified
by
UV-vis
spectroscopy,
X-ray
diffraction
(XRD),
and
scanning
electron
microscopy
(SEM).
Finally,
the
antimicrobial
activity
of
ZnO
SdZnO
was
performed.
It
observed
that
doping
silver,
size
changed.
By
adding
silver
to
NPs,
effect
improved.
Antibacterial
test
against
gram-positive
bacterium
Streptococcus
mutants
showed
with
a
low
density
had
higher
antibacterial
than
NPs;
Therefore,
can
be
used
as
new
agent
medical
applications.
RESEARCH
HIGHLIGHTS:
Silver-doped
prepared
using
eco-friendly
synthesis
method
their
bacteria
causing
tooth
decay
studied.
ACS Omega,
Journal Year:
2023,
Volume and Issue:
8(15), P. 13551 - 13568
Published: April 3, 2023
The
utilization
of
nanostructured
materials
for
several
biomedical
applications
has
tremendously
increased
over
the
last
few
decades
owing
to
their
nanosizes,
porosity,
large
surface
area,
sensitivity,
and
efficiency
as
drug
delivery
systems.
Thus,
incorporation
functionalized
pristine
nanostructures
cancer
therapy
offers
substantial
prospects
curb
persistent
problems
ineffective
administration
target
sites.
potential
(Ca12O12)
formyl
(-CHO)-
amino
(-NH2)-functionalized
(Ca12O12-CHO
Ca12O12-NH2)
derivatives
efficient
nanocarriers
5-fluorouracil
(5FU)
was
studied
at
B3LYP-GD3(BJ)/6-311++G(d,p)
theoretical
level
in
two
electronic
media
(gas
solvent).
To
effectively
account
all
adsorption
interactions
on
investigated
surfaces,
studies
well
topological
analysis
based
quantum
theory
atoms
molecules
(QTAIM)
noncovalent
were
exhaustively
utilized.
Interestingly,
obtained
results
divulged
that
5FU
interacted
favorably
with
both
Ca12O12
its
derivatives.
energies
calculated
be
-133.4,
-96.9,
-175.6
kcal/mol,
respectively,
Ca12O12,
Ca12O12-CHO,
Ca12O12-NH2.
Also,
NBO
stabilization
revealed
presence
among
O3-H32,
O27-C24,
O10-C27,
N24-H32
surface.
However,
5FU@Ca12O12-CHO
portrayed
least
energy
due
considerable
destabilization
molecular
complex
by
computed
deformation
energy.
Therefore,
5FU@Ca12O12
5FU@Ca12O12-NH2
acted
better
nanovehicles
5FU.
ACS Omega,
Journal Year:
2023,
Volume and Issue:
8(23), P. 20621 - 20633
Published: May 31, 2023
Atmospheric
pollutants
pose
a
high
risk
to
human
health,
and
therefore
it
is
necessary
capture
preferably
remove
them
from
ambient
air.
In
this
work,
we
investigate
the
intermolecular
interaction
between
such
as
CO,
CO2,
H2S,
NH3,
NO,
NO2,
SO2
gases
with
Zn24
Zn12O12
atomic
clusters,
using
density
functional
theory
(DFT)
at
meta-hybrid
TPSSh
LANl2Dz
basis
set.
The
adsorption
energy
of
these
gas
molecules
on
outer
surfaces
both
types
clusters
has
been
calculated
found
have
negative
value,
indicating
strong
molecular-cluster
interaction.
largest
observed
cluster.
general,
cluster
appears
be
more
effective
for
adsorbing
SO2,
NO
than
Zn12O12,
whereas
latter
preferable
NH3.
Frontier
molecular
orbital
(FMO)
analysis
showed
that
exhibits
higher
stability
upon
falling
within
chemisorption
range.
shows
characteristic
decrease
in
band
gap
suggesting
an
increase
electrical
conductivity.
Natural
bond
(NBO)
also
suggests
presence
interactions
gases.
This
was
recognized
noncovalent,
determined
by
noncovalent
(NCI)
quantum
atoms
(QTAIM)
analyses.
Overall,
our
results
suggest
are
good
candidate
species
promoting
and,
thus,
can
employed
different
materials
and/or
systems
enhancing
or
NO2.
