Applied Organometallic Chemistry,
Journal Year:
2024,
Volume and Issue:
39(1)
Published: Dec. 15, 2024
ABSTRACT
Cu(II),
Ni(II),
and
Co(II)
acetates
reacted
with
a
thiosemicarbazone
ligand
(CPPTSC;
HL)
to
produce
novel
solid
complexes
the
general
formula
[M(L)(H
2
O)
m
]·
n
H
O,
=
or
nil,
1
M
Co(II).
Several
analytical
spectroscopic
techniques
have
been
efficiently
used
characterize
synthesized
chelates.
The
investigated
CPPTSC
functions
as
monoanionic
tridentate
in
all
Measurements
of
molar
conductivity
showed
that
chelates
behaved
non‐electrolytic
manner.
In
contrast
nickel‐CPPTSC
cobalt‐CPPTSC
complexes,
which
tetrahedral
geometries,
copper‐CPPTSC
complex
distorted
octahedral
geometry.
thermal
decomposition
behaviors
were
examined
using
TG.
To
assess
molecular
structural
characteristics
its
density
functional
theory
(DFT)
was
applied
at
B3LYP/6‐311G(d,p)
LanL2dz
levels.
antiproliferative
properties
against
two
human
cancer
cell
lines,
HepG‐2
(hepatic)
MCF‐7
(breast),
evaluated.
Cu‐CPPTSC
Ni‐CPPTSC
displayed
superior
IC
50
values
compared
doxorubicin,
suggesting
potentially
improved
therapeutic
index.
bioactive
markedly
increased
late
apoptosis
studied
tumor
cells.
great
cycle
arrest
G2
phase
moderate
S
phase.
discovered
then
subjected
docking
experiment
good
interactions
CDK‐2
receptor.
ChemElectroChem,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 10, 2025
Abstract
Ni‐based
alloys
have
excellent
corrosion
resistance
and
are
widely
used
in
the
petrochemical
industry.
In
this
study,
effect
of
sulfuric
acid
on
Ni
was
analyzed
by
electrochemical
tests
theoretical
studies
absence
presence
2‐([(1E)‐(2‐hydroxyphenyl)methylene]amino)benzoic
(H2
L).
Sulfuric
acid's
corrosive
effect,
notably
fertilizer
production,
poses
challenges
for
materials
like
nickel
storage
transport.
Discussion
which
is
frequently
to
handle
given
paper.
The
behavior
(Ni)
metal
inhibitory
(H
2
L)
were
investigated
using
a
combination
computational
approaches.
0.5
M
served
as
medium.
H
L
evaluated
Tafel
plots
impedance
spectroscopy.
Results
show
gradual
decrease
current
density
(
I
corr.
)
over
time,
accompanied
an
increase
inhibition
efficiency,
attributed
rising
additive
concentrations.
maximum
efficiency
η
=97.8
%)
achieved
at
1×10
−5
concentration
25
°C.
predominantly
affects
anodic
reaction
compared
cathodic
reduces
NiO
formation
electrode
surfaces.
Increasing
solution
temperature
enhances
indicating
chemisorption
following
Langmuir
model,
supported
Scanning
electron
microscopy
(SEM)
analysis
confirms
that
H2
inclusion
significantly
resistance.
Charge‐discharge
processes
studied
SO
4
containing
various
dosages
applied
distinct
densities.
It
interesting
note
both
discharging
time
specific
capacitance
rises
with
raising
each
dosage
.
most
enhancements
obtained
additive,
(0.391
mAh
90
mA
cm
−2
).
Also,
improved
power
energy
features
additive.
Theoretical
Density
Functional
Theory
(DFT)
reveal
possesses
low
ΔE
gap
,
facilitating
chemical
adsorption
during
process,
underlining
innovative
nature
strategy.
Furthermore,
L−Ni
interaction
effectively
simulated
DFT/B3LYP/6‐311+G**,
providing
valuable
insights
into
compound's
capabilities.
RSC Advances,
Journal Year:
2025,
Volume and Issue:
15(9), P. 6718 - 6736
Published: Jan. 1, 2025
Ring
opening
and
recyclization
reactions
with
4-hydroxy-6-methyl-3-nitro-2
H
-pyrano[3,2-
c
]quinoline-2,5(6
)-dione
(1)
was
examined
towards
some
carbon
nucleophilic
reagents.
Journal of Umm Al-Qura University for Applied Sciences,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 3, 2025
Abstract
This
study
focused
on
the
design
and
stractural
characterization
of
two
new
transition
metal
complexes
derived
from
Tryptophan
(Trp)
2,2'-bipyridine
(Bip),
coordinated
with
Iron(III)
(FeTrpBip)
Cobalt(II)
(CoTrpBip)
ions.
Structural
elucidation
these
was
achieved
using
a
range
advanced
analytical
techniques.
Thermal
analysis
revealed
stability
decomposition
behaviors
complexes.
The
data
indicated
that
both
FeTrpBip
CoTrpBip
exhibit
octahedral
coordination
geometries,
structural
formulas
identified
as
[Fe(Trp)(Bip)(Cl)
2
]
[Co(Trp)(Bip)(Cl)(H
O)],
respectively.
To
support
experimental
data,
Density
Functional
Theory
(DFT)
calculations
had
been
performed.
These
confirmed
proposed
structures
provided
detailed
quantum
chemical
parameters,
including
HOMO–LUMO
energies,
molecular
orbitals,
electronic
distributions,
which
are
important
for
understanding
complexes'
reactivity.
Further,
extensive
in
vitro
biological
evaluations
assessed
antifungal
antibacterial
evaluation
synthesized
bioassays
demonstrated
displayed
significantly
enhanced
bioactivity
compared
to
free
ligands,
indicating
synergistic
effect
efficacy
ligands.
Molecular
docking
studies
were
subsequently
conducted
explore
mechanisms
action
at
level,
specifically
targeting
E.
coli
FabH–CoA
(PDB
ID:
1HNJ).
FabH
receptor,
essential
fatty
acid
biosynthesis,
chosen
evaluate
antimicrobial
potential
Docking
simulations
valuable
insights
into
binding
affinities,
interaction
key
amino
residues
involved
process.
results
highlight
significant
therapeutic
complexes,
positioning
them
promising
reagents
further
development
medical
science.
observed
effects
due
underscore
advance
therapies
address
challenges
associated
resistant
strains.
PLoS ONE,
Journal Year:
2025,
Volume and Issue:
20(4), P. e0320841 - e0320841
Published: April 22, 2025
Pseudomonas
aeruginosa
(P.
aeruginosa)
,
a
very
resilient
pathogen,
demonstrates
diverse
array
of
virulence
factors,
the
expression
which
is
closely
linked
to
quorum
sensing(QS)
mechanism,
facilitates
cell-cell
interaction.
Quorum
sensing
(QS)
inhibition
promising
strategy
for
combating
bacterial
infections.
LasR,
transcriptional
factor
that
controls
mechanism
QS
in
P.
target
therapeutic
development,
because
lot
research
has
been
done
on
its
structure.
It
already
established
thiazoles
and
their
compounds
have
anti-QS
potential
against
P
aeruginosa.
The
study
aims
identify
new
LasR
inhibitors
(QSIs)
derived
from
novel
utilizing
structure-based
virtual
screening
technique
using
ZINC
database.
A
complete
set
800
molecules
(a
thiazole
derivative
library)
were
docked
inside
active
region
receptor
before
being
screened
pharmacokinetic
toxicology
studies.
Among
derivatives
examined,
D_152,
D_153,
L_331
selected
as
further
studied
obtain
crucial
understanding
binding
interactions
take
place
between
inhibitor
ligands
LasR.
findings
indicated
pharmacophoric
characteristics
D_152
comparable
those
reference
molecule
(TC).
Moreover,
molecular
docking
investigations
showed
compound
TC
both
fit
protein’s
area
well.
Furthermore,
D_152’s
amino
acid
interaction
graphs
with
CviR
are
nearly
identical.
ability
engage
site
through
dissolution
dimer
was
demonstrated
by
dynamics
modeling
tests
conducted
over
50
ns
time
span,
demonstrating
function
antagonist.
Additionally,
Density
Functional
Theory
(DFT)
order
determine
electron
density
molecule.
According
findings,
recently
produced
(D_152)
be
used
QSI
receptor,
would
speed
up
fight
pathogenicity
resistant
multiple
drugs.
