Polycyclic aromatic compounds,
Год журнала:
2023,
Номер
44(2), С. 1221 - 1237
Опубликована: Март 20, 2023
Breast
cancer
continues
to
be
the
biggest
cause
of
mortality
for
women
worldwide,
taking
lives
millions
each
year.
As
a
result,
scientists
are
now
exploring
possibility
metal-based
complexes
as
anticancer
therapies.
Notwithstanding,
polypyridyl
coordinated
Re(I)
have
demonstrated
tremendous
promise
cancer-fighting
medications.
Therefore,
intent
this
research
is
investigate
theoretically
spectral
properties,
compute
density
functional
theory
(DFT),
and
simulate
molecular
docking
containing
functionalized
2,2′-bipyridine
N,N′-donor
bidentate
ligands:
5,5′-DiMBpy
in
(1a),
4,4′-DiMBpy
(2a),
4,4′-DiMoxBp
(3a)
therapy
application.
Intriguingly,
complex
Re(2a)
achieved
greatest
MolDock
score
H-bond
energy
following
interactions
with
target
receptors
utilized,
followed
by
Re(1a)
Re(3),
respectively.
Thus
elucidating
studied
compounds
efficient
mitigation
breast
cancer.
In
this
study,
we
investigated
the
adsorption
of
CO2
by
carbon
quantum
dot-based
ferrites
(MFe2O4,
M
=
Co2+,
Ni2+,
and
Zn2+)
in
context
industrial
emissions
global
warming.
The
have
been
characterized
using
various
analytical
techniques
[X-ray
powder
diffraction,
FTIR,
thermogravimetric
analysis
(TGA),
scanning
electron
microscopy
(SEM),
transmission
(TEM),
X-ray
photoelectron
spectroscopy
(XPS)],
showing
cubic
spinel
for
CoFe2O4,
reverse
NiFe2O4,
typical
ZnFe2O4.
A
TGA
study
revealed
a
significant
weight
loss
around
740-780
°C,
indicating
structural
change
occurred
with
increasing
temperature.
SEM
TEM
images
displayed
spherical
particles
sizes
ranging
from
10
to
50
nm.
XPS
confirmed
presence
C,
O,
Fe
atoms
specific
cations
(Co2+,
Zn2+).
Electrochemical
impedance
Nyquist
diagrams
suggest
linear
relationship
between
Z″
(ohm)
Z'
at
low
frequencies,
but
semicircular
loop
obtained
was
significantly
increased
higher
frequencies.
This
suggests
that
charge
transfer
resistance
(R
CT)
electrode
boundaries
(interface)
is
much
than
per
area
1853
Ω
cm2
paste
electrodes
(CPE)/CoFe2O4
it
decreased
1652
CPE/NiFe2O4
1672
CPE/ZnFe2O4.
However,
improved
lower
seen
due
composite
nature
samples
(CQDs@MFe2O4),
revealing
(1163
cm2)
CQD@MFe2O4-CO2
as
compared
1567
MFe2O4.
Thus,
studied
electrochemically,
interaction
ferrates
enhanced
CQDs
samples.
consistent
follows
Langmuir
pseudo-second-order
kinetics
(k
4.9,
qe
121.93
CQD@CoFe2O4,
k
2.9,
156.52
CQD@NiFe2O4,
3.0,
141.71
CQD@ZnFe2O4),
data
show
efficiency
has
1.0%
after
7-8
cycles.
Lastly,
density
functional
theory
demonstrated
on
surface
ferrites,
deforming
linearity,
which
leads
subsequent
C-O
form
carbonate.
