A combined solid state, solution and DFT study of a dimethyl-cyclen-Pd(II) complex
Dalton Transactions,
Journal Year:
2024,
Volume and Issue:
53(34), P. 14300 - 14314
Published: Jan. 1, 2024
A
new
palladium(II)
complex
containing
the
previously
synthesized
4,10-bis[(3-hydroxy-4-pyron-2-yl)methyl]-1,7-dimethyl-1,4,7,10-tetraazacyclododecane
ligand
maltonis
was
prepared
and
characterized
both
in
solution
solid
state.
Hirshfeld
surface
energy
framework
analyses
were
also
performed.
Because
already
showed
antineoplastic
activity,
complexation
of
Pd(II),
chosen
as
an
alternative
to
Pt(II),
investigated
study
its
possible
biological
activity.
UV-vis
NMR
studies
confirmed
formation
stability
aqueous
at
physiological
pH.
X-ray
diffraction
data
revealed
a
structure
where
Pd(II)
ion
is
lodged
dimethyl-cyclen
cavity,
with
maltol
rings
facing
each
other
(closed
shape)
even
if
they
are
not
involved
coordination.
DFT
analysis
performed
order
understand
most
stable
shape
complex.
In
view
evaluating
bioactive
conformation,
suggested
slight
energetic
preference
for
closed
one.
The
resulting
stabilized
by
intermolecular
interactions
that
replace
intramolecular
present
optimized
According
calculated
energies,
notwithstanding
rarity,
thermodynamically
preferred
one
among
analogous
complexes
different
metal
ions
(Pt(II),
Co(II),
Cu(II)).
Finally,
interaction
between
nucleosides
evaluated
through
calculations,
revealing
purines
Language: Английский
A Cyclen-Functionalized Cobalt-Substituted Sandwich-Type Tungstoarsenate with Versatility in Removal of Methylene Blue and Anti-ROS-Sensitive Tumor Cells
Jiai Hua,
No information about this author
Xueman Wei,
No information about this author
Yifeng Li
No information about this author
et al.
Molecules,
Journal Year:
2022,
Volume and Issue:
27(19), P. 6451 - 6451
Published: Sept. 30, 2022
Oxidative
degradation
by
using
reactive
oxygen
species
(ROS)
is
an
effective
method
to
treat
pollutants.
The
synthesis
of
artificial
oxidase
for
the
dyes
a
hot
spot
in
molecular
science.
In
this
study,
nanoscale
sandwich-type
polyoxometalate
(POM)
on
basis
tetra-nuclear
cobalt
cluster
and
trivacant
B-α-Keggin-type
tungstoarsenate
{[Co(C8H20N4)]4}{Co4(H2O)2[HAsW9O34]2}∙4H2O
(abbreviated
as
CAW,
C8H20N4
=
cyclen)
has
been
synthesized
structurally
examined
infrared
(IR)
spectrum,
ultraviolet-visible
(UV-Vis)
X-ray
photoelectron
spectrum
(XPS),
single-crystal
diffraction
(SXRD),
bond
valence
sum
(Σs)
calculation.
According
structural
analysis,
principal
element
CAW
derived
from
modifying
polyanion
{Co4(H2O)2
[HAsW9O34]2}8-
with
four
[Co(Cyclen)]2+,
which
1,4,7,10-tetraazacyclododecane
(cyclen)
firstly
applied
modify
POM.
It
also
demonstrated
that
capable
efficiently
catalyzing
production
ROS
synergistic
effects
POM
fragments
Co-cyclen
complexes.
Moreover,
can
interfere
morphology
proliferation
sensitive
cells
producing
exhibits
ability
specifically
eliminating
methylene
blue
(MB)
solution
system
both
adsorption
catalytic
oxidation.
Language: Английский
A nanoscale ferromagnetic nickel-supercluster functionalized giant heterometallic arsenototungstate with ability in catalyzing reactive oxygen species generation
Xiang Ma,
No information about this author
Yusheng Sun,
No information about this author
Qinli Lu
No information about this author
et al.
Journal of Molecular Structure,
Journal Year:
2023,
Volume and Issue:
1291, P. 136010 - 136010
Published: June 17, 2023
Language: Английский
An 1,4,7,10-tetraazacyclododecane-nickel complex functionalized polymolybdate acting as artificial oxidase in removing methylene blue
Xiang Ma,
No information about this author
Yujin Li,
No information about this author
Longfeng Meng
No information about this author
et al.
Journal of Molecular Structure,
Journal Year:
2024,
Volume and Issue:
1312, P. 138502 - 138502
Published: May 3, 2024
Language: Английский
Synthesis, structure, and electrochemical potential of a 3d − 4f heterobimetallic polyoxometalate
Wei Yao,
No information about this author
Wei Liu,
No information about this author
Enjun Gao
No information about this author
et al.
Journal of Coordination Chemistry,
Journal Year:
2023,
Volume and Issue:
76(11-12), P. 1322 - 1332
Published: June 18, 2023
A
three-dimensional
(3-D)
3d-4f
polyoxometalate
(POM),
[Gd2Cu(SiW12O40)(Hpca)4(pca)4(H2O)3]·(Hpca)2·H2O
(1)
(Hpca
=
isonicotinic
acid,
abbreviated
as
Cu-Gd-CP),
was
synthesized
by
hydrothermal
method
and
characterized
XRD,
TG,
IR,
Ultraviolet–visible
(UV–vis)
spectra.
The
Gd3+
ions
have
two
different
coordination
modes,
which
correspond
to
distinct
kinds
of
dinuclear
secondary
building
units,
([Gd12(Hpca)4(pca)4(H2O)2]
[Gd22(Hpca)4(pca)4(H2O)4]).
Thus,
there
are
types
pores
(pore
pore
B)
filled
free
Hpca
molecules
in
Cu-Gd-CP.
Hpac
oriented
perpendicular
each
other
B.
electrochemical
potential
Cu-Gd-CP
is
explored.
Language: Английский