Applied Organometallic Chemistry,
Год журнала:
2023,
Номер
37(11)
Опубликована: Сен. 24, 2023
Three
GUBZCu,
GUBZVO,
and
GUBZPd
chelates
have
been
prepared
from
2‐guanidino
benzimidazole
(GUBZ
ligand)
by
a
bidentate
coordinating
approach.
FT‐IR,
mass,
NMR
spectra;
magnetic
moment;
CHN
analysis;
UV–Vis
molar
conductance;
TGA
were
studied
to
describe
estimate
the
molecular
formulae
of
tested
molecules.
The
stability
constant
for
GUBZ
complexes
was
estimated
in
solution.
Also,
pH
profile
displays
extra
complexes.
Structure
elucidation
had
supported
density
functional
theory
(DFT)
along
with
calculated
electronic
vibrational
spectra.
Electronic
absorption
spectra
practically
through
theoretically
performed
using
time‐dependent
TD‐DFT/B3LYP,
computing
maximum,
oscillator
strength,
excitation
energy
compounds.
This
study
done
into
these
chelates'
catalytic
performances
environmentally
friendly
synthesis
7‐amino‐4,5‐dihydro‐tetrazolo[1,5‐
]pyrimidine‐6‐carbonitrile
derivatives
utilizing
aromatic
aldehyde,
malononitrile,
5‐amino
tetrazole
as
reactants.
used
reactions
directed
concerned
environment
green
solvent.
obtained
results
verified
promising
activity
selectivity
All
reaction
conditions
enhanced
between
variable
Lewis
acid
catalysts
associating
our
catalyst
presented
an
advantage
overall
tests
high
yield,
conditions,
short
time.
regaining
hetero‐catalyst
has
prospered
well
recycled
same
effectiveness
up
four
or
five
times,
then
performance
reduced.
mechanism
action
recommended
depending
on
capability
Pd
(II)
complex
totaling
bonds
above
z
‐axis
reinforced
theoretical
study.
strategy's
simplicity,
safety,
commercially
accessible
catalyst,
stability,
fast
time,
outstanding
yields
may
be
industry
future.
International Journal of Molecular Sciences,
Год журнала:
2023,
Номер
24(8), С. 6970 - 6970
Опубликована: Апрель 9, 2023
Lipophilicity
is
one
of
the
key
properties
a
potential
drug
that
determines
solubility,
ability
to
penetrate
through
cell
barriers,
and
transport
molecular
target.
It
affects
pharmacokinetic
processes
such
as
adsorption,
distribution,
metabolism,
excretion
(ADME).
The
10-substituted
1,9-diazaphenothiazines
show
promising
if
not
impressive
in
vitro
anticancer
potential,
which
associated
with
activation
mitochondrial
apoptosis
pathway
connected
induction
BAX,
forming
channel
MOMP
releasing
cytochrome
c
for
caspases
9
3.
In
this
publication,
lipophilicity
previously
obtained
was
determined
theoretically
using
various
computer
programs
experimentally
reverse-phase
thin-layer
chromatography
(RP-TLC)
standard
curve.
study
presents
other
physicochemical,
pharmacokinetic,
toxicological
affecting
bioavailability
test
compounds.
ADME
analysis
silico
SwissADME
server.
Molecular
targets
studies
were
identified
SwissTargetPrediction
Lipinski's
rule
five,
Ghose's,
Veber's
rules
checked
tested
compounds,
confirming
their
bioavailability.
Applied Organometallic Chemistry,
Год журнала:
2024,
Номер
38(6)
Опубликована: Апрель 2, 2024
In
this
study,
the
focus
was
on
synthesizing
metal
chelates
of
Fe(III),
Ni(II),
and
Pd(II)
using
thiazole‐guanidine
derivatives.
Various
spectral
analytical
methods
were
employed
to
elucidate
structural
characteristics
determine
molecular
formulae
these
chelates,
including
infrared
(IR(,
1
H‐NMR
13
C‐NMR,
ultraviolet–visible
(UV–vis),
CHN,
XRD
data,
mass
spectrometry,
thermal
conduction,
measures
magnetism,
used
clarify
structures
compounds.
The
optimized
have
been
scrutinized
by
DFT
method.
Correlation
between
all
spectroscopic
calculation
revealed
an
octahedral‐coordinating
environment
surrounding
Fe
3+
ion,
[Fe
(BTG)
2
(NO
3
)
].NO
.2H
O
Ni
2+
,
[Ni
].H
cation
distorted
square
planner
Pd
[Pd
(COOCH
].2H
cation.
examination
stability
stoichiometry
complexes
in
solution
conventional
techniques
has
incorporated
into
investigation's
scope.
Under
mild
reaction
conditions,
green
technique
carry
out
a
condensation
for
aromatic
aldehyde,
rhodanine,
pipredine,
5‐aminotetrazol
generate
derivatives
6‐piperidin‐dihydro‐thia‐hexaaza‐s‐indacene
comparison
our
new
complexes,
conditions
those
variable
Lewis
acid
catalysts.
general,
tests
conducted
under
high
yield,
speedy,
environmentally
friendly
solvent
(H
O/EtOH)
BTGPd
catalyst
showed
superiority
over
others.
Additionally,
hetero‐catalyst
recovery
proved
successful
could
be
with
same
efficiency
up
six
times
before
started
decrease.
effectiveness
catalytic
procedure
validated
through
thorough
density
functional
theory
(DFT).
analysis
showcased
distinctive
complex
proposed
logical
mechanisms
that
elucidated
crucial
physical
parameters
responsible
superior
performance
complex.
Physica Scripta,
Год журнала:
2023,
Номер
98(8), С. 085917 - 085917
Опубликована: Июнь 29, 2023
Abstract
Pure
and
lightly
Zn-doped
(MoS
2
)
0.97
Zn
0.03
powdered
samples
have
been
prepared
by
a
simple
economic
method,
structurally
analysed
XRD,
FT-IR,
XPS,
SEM&
EDX,
optically
characterised
using
optical
diffuse
reflectance
spectroscopy.
XRD
analysis
of
the
heat-treated
Zn:
MoS
product
revealed
formation
different
multi-heterojunction
semiconducting
,
MoO
3
barely
visible
ZnS
components
beside
metal-Zn
element
which
were
confirmed
XPS&
EDX.
The
crystallite
size
for
decreased
from
400.465
to
326.179
nm
while
constituents
exhibit
lower
values
108.884
&
8.045
nm,
respectively.
Their
porosity
percentages
∼60%–67%
are
relatively
high
beneficial
photocatalytic
process.
study
showed
indirect
allowed
band
gap
with
energy
1.2
0.9
eV
undoped
doped,
has
performed
at
MB
concentrations
(10–20
ppm),
catalyst
amounts
(0.04–0.1
g)
under
dark,
UV,
Vis
irradiations
assisted
pH
and/or
ultrasonic
piezoelectric
potential.
current
enhanced
result
99.3%
efficiency
performance
figure
merit
∼1045
min
−1
achieved
in
20
s
capability
reusability.
RSC Advances,
Год журнала:
2024,
Номер
14(39), С. 28608 - 28625
Опубликована: Янв. 1, 2024
A
series
of
derivatives
(5-14)
were
synthesized
through
the
diazotization
sulfadiazine
with
active
methylene
compounds.
The
chemical
structures
these
newly
designed
compounds
validated
spectral
and
elemental
analysis
techniques.
antiproliferative
potential
5-14
was
assessed
against
three
distinct
cancer
cell
lines
(A431,
A549,
H1975)
using
MTT
assay.
results
revealed
that
8,
12,
14
exhibited
most
potent
activity,
IC
Molecules,
Год журнала:
2023,
Номер
28(6), С. 2543 - 2543
Опубликована: Март 10, 2023
Over
the
past
decades,
2(5H)-furanone
derivatives
have
been
extensively
studied
because
of
their
promising
ability
to
prevent
biofilm
formation
by
various
pathogenic
bacteria.
Here,
we
report
synthesis
a
series
optically
active
sulfur-containing
and
characterize
biological
activity.
Novel
thioethers
were
obtained
an
interaction
stereochemically
pure
5-(l)-menthyloxy-
or
5-(l)-bornyloxy-2(5H)-furanones
with
aromatic
thiols
under
basic
conditions.
Subsequent
oxidation
excess
hydrogen
peroxide
in
acetic
acid
resulted
corresponding
chiral
sulfones.
The
structure
synthesized
compounds
was
confirmed
IR
NMR
spectroscopy,
HRMS,
single
crystal
X-ray
diffraction.
leading
compound,
26,
possessing
sulfonyl
group
l-borneol
moiety,
exhibited
prominent
activity
against
Staphylococcus
aureus
Bacillus
subtilis
MICs
8
μg/mL.
Furthermore,
at
concentrations
0.4-0.5
μg/mL,
sulfone
26
increased
two-fold
efficacy
aminoglycosides
gentamicin
amikacin
S.
aureus.
treatment
model-infected
skin
wound
rat
combination
speeded
up
bacterial
decontamination
improved
healing
wound.
presented
results
provide
valuable
new
insights
into
chemistry
associated
activities.
