Applied Organometallic Chemistry,
Год журнала:
2025,
Номер
39(4)
Опубликована: Март 4, 2025
ABSTRACT
The
condensation
of
3‐amino‐1H‐1,2,4‐triazole
with
2‐benzoyl
benzoic
acid
produced
a
novel
Schiff
base
ligand
(H
2
L).
structure
synthesized
H
L
and
its
metal
complexes
[Co(II),
Ni(II),
Cu(II),
Zr(IV)]
were
characterized
by
mass
spectrometry,
FT‐IR,
1
NMR,
XRD,
UV‐vis,
ESR,
TG‐DTG
analyses
also,
supported
computational
approaches.
FT‐IR
spectral
data
showed
that
acts
in
tridentate
mode
through
azomethine
nitrogen,
the
nitrogen
triazole,
carboxylate
group
oxygen.
XRD
results
indicated
compounds
polycrystalline
monoclinic
systems
for
L,
Co(II),
Cu(II)
but
orthorhombic
Zr(IV)
Ni(II)
complexes.
Coats–Redfern
Horowitz–Metzger
equations
utilized.
optical
characteristics
evaluated.
From
DFT,
Δ
E
values
our
varied
from
0.033
eV
more
reactive
Co(II)
complex
to
0.109
less
Zr(IV)complex
compared
(0.113
eV).
Also,
σ
values,
considered
soft
L.
band
gap
(
g
)
those
DFT
found
be
equivalent.
metallic
assessed
their
antibacterial
activity
as
well
antifungal
activity.
exhibited
significant
antimicrobial
efficacy.
evaluated
cytotoxic
against
ATB‐37
colon
cancer
cell
line.
Notably,
effects
than
other
compounds.
subjected
molecular
docking
into
TRK
(PDB:
1t46),
DHFR
2W9H),
PaaABC
4IIT),
NatB
5K04)
predict
or
help
interpretation
cytotoxicity
potential.
electrochemical
behavior
complex–modified
electrodes
was
cyclic
voltammetry
(CV),
galvanostatic
charge–discharge
(GCD),
impedance
spectroscopy
(EIS)
measurements,
all
performed
6‐M
KOH
electrolyte.
have
much
higher
capacitance
modified
electrodes.
Deleted Journal,
Год журнала:
2024,
Номер
2, С. 100007 - 100007
Опубликована: Апрель 16, 2024
This
work
used
a
variational
quantum
circuit
(VQC)
in
conjunction
with
quantitative
structure-property
relationship
(QSPR)
model
to
completely
investigate
the
corrosion
inhibition
efficiency
(CIE)
displayed
by
pyridine-quinoline
compounds
acting
as
inhibitors.
Compared
conventional
methods
like
multilayer
perceptron
neural
networks
(MLPNN),
VQC
predicts
CIE
more
accurately.
With
coefficient
of
determination
(R2),
root
mean
square
error
(RMSE),
absolute
(MAE),
and
deviation
(MAD)
values
0.989,
0.027,
0.024,
0.019,
respectively,
performs
better.
The
established
outstanding
predictive
accuracy
for
four
newly
synthesized
pyrimidine
derivative
compounds:
1-(4-fluorophenyl)-
3-(4-(pyridin-4-ylmethyl)phenyl)urea
(P1),
1-phenyl-3-(4-(pyridin-4-ylmethyl)phenyl)urea
(P2),
1-(4-methylphenyl)-3-(4-(pyridin-4-ylmethyl)phenyl)urea
(P3),
quaternary
ammonium
salt
dimer
(P4).
It
generates
remarkably
high
92.87,
94.05,
94.96,
96.93
P1,
P2,
P3,
P4,
respectively.
its
ability
streamline
testing
production
processes
novel
anti-corrosion
materials,
this
innovative
approach
holds
potential
revolutionize
market.
Materials Advances,
Год журнала:
2024,
Номер
5(11), С. 4563 - 4600
Опубликована: Янв. 1, 2024
Graphical
abstract
illustrates
how
ionic
liquids
protect
metal
surface
from
corrosion,
highlights
the
factors
affecting
efficacy
and
associated
chemical
reactions
with
without
liquids,
highlighting
their
role
in
preventing
rust
formation.
Results in Chemistry,
Год журнала:
2024,
Номер
8, С. 101566 - 101566
Опубликована: Май 31, 2024
Utilizing
plant
extracts
as
an
alternative
source
for
corrosion
inhibitors
holds
significant
promise
in
minimizing
the
risk
of
corrosion.
In
this
study,
okra
leaf
extract
(OLE)
was
employed
a
inhibitor
N80
steel
1.0
M
H2SO4.
The
rate
assessed
concerning
temperature
(30,
40,
50,
and
60
°C)
concentrations
(blank,
25,
75,
100
ml/l)
through
weight
loss
electrochemical
polarization
techniques.
results
indicated
that
OLE
functions
mixed-type
inhibitor,
with
rates
increasing
decreasing
concentration.
maximum
inhibition
efficiency
reached
96
%
at
30
°C
ml/l.
Adsorption
studies
revealed
physically
adsorbed
onto
mild
surface,
following
Langmuir
adsorption
isotherm.
Gravimetrical
techniques
were
confirmed
by
FTIR
UV
measurements,
which
showed
presence
protective
layer
on
metal
surface.
Optical
microscopy,
AFM,
SEM
images
demonstrated
formation
Thermogravimetric
analysis
(TGA)
highlighted
thermal
stability
exhibited
molecules,
thermally
stable
up
to
85
°C.
Energy & Fuels,
Год журнала:
2023,
Номер
37(23), С. 18266 - 18290
Опубликована: Ноя. 16, 2023
The
development
of
oil
refining
in
advanced
nations
is
mostly
focused
on
low-carbon
fuel.
Similar
efforts
are
being
made
to
improve
the
fuel
efficiency
internal
combustion
engines,
which
will
result
lower
exhaust
emissions.
Furthermore,
by
assessing
indicated
trends
engine
building,
it
important
for
manufacturers
understand
how
requirements
gasoline
quality
indicators
change,
primarily
its
knock
resistance.
aim
current
comprehensive
article
study
state-of-the-art
review
emphasizing
recent
progress
and
prospects
producing
high-octane
toward
market
development.
branded
multifunctional
additives,
involving
friction
modifiers,
corrosion
inhibitor
components,
as
well
detergent
components
presented.
motor
gasoline,
antiknocking
characteristics
oxygenated
compounds
exhibited.
Besides,
perspective
technologies,
including
different
types
declared.
formulation
effective
surrogates
a
challenging
task
due
strategies,
design,
variable
operating
conditions
spark-ignition
engines.
extensive
direct
injection
turbocharging
technologies
constrained
actual
compression
ratio
Likewise,
an
increase
resistance
produced
would
further
new
