STUDIES IN ENGINEERING AND EXACT SCIENCES,
Journal Year:
2024,
Volume and Issue:
5(2), P. e11649 - e11649
Published: Dec. 6, 2024
In
this
work
the
study
investigates
intermolecular
interactions
in
Guanosine
(Guo)
into
β-cyclodextrin
(β-CD)
and
their
derivatives,
such
as
hydroxypropyl-βCD
(HPβCD)
inclusion
complexes
using
Density
Functional
Theory
including
dispersion
correction
(DFT-D3)
method
following
functional,
B3LYP/6-31G
basis
set
both
gaz
aqueous
phases.
These
geometries
were
optimized
final
results
examined
contrasted.
The
global
chemical
reactivity
descriptors,
Fukui
function,
HOMO
LUMO
energies
calculated.
TD-DFT
was
used
to
determine
absorption
spectra.To
forecast
reactive
sites
for
electrophilic
nucleophilic
attack,
molecular
electrostatic
potential
computed.
interaction
bonds
investigated
formation
of
conventional
hydrogen
detected
by
AIM
analysis.
nature
further
elucidated
non-covalent
(NCI).
This
showed
that
van
der
Waals
contribute
significantly
complex.
To
gain
more
insight
emission
complex,
gap
energy
(EHOMO-ELUMO)
Molecules,
Journal Year:
2024,
Volume and Issue:
29(19), P. 4666 - 4666
Published: Sept. 30, 2024
Self-healing,
stretchable,
and
moldable
hydrogels
have
a
great
potential
application
in
tissue
engineering
soft
robotics.
Despite
success
reported
hydrogels,
it
is
still
challenge
to
construct
the
with
an
ultrafast
self-healing
performance.
Herein,
composite
(PBLH)
self-healing,
properties
were
successfully
constructed
by
poly
(vinyl
alcohol)
(PVA),
borate
(B),
ε-poly-l-lysine
(EPL),
hyaluronic
acid
(HA)
based
on
efficient
one-pot
method.
Fourier
transform
infrared
spectroscopy,
X-ray
diffraction,
rheological
measurements
confirmed
formation
of
dynamic
network
among
PVA,
B,
EPL,
HA
through
cross-linking
bonds,
electrostatic
interaction,
hydrogen
bonding.
Having
fabricated
structure,
damage
gap
can
heal
within
1
min,
presenting
excellent
ability.
Simultaneously,
be
molded
into
various
shapes,
length
stretched
15
times
their
original
length.
In
addition,
exhibited
antibacterial
property
against
Staphylococcus
aureus
(S.
aureus)
Escherichia
coli
(E.
coli).
Our
results
illustrated
that
not
only
retain
advantages
traditional
but
also
possess
outstanding
stretchable
properties,
prospective
candidate
for
constructing
biomedical
materials.
Biomacromolecules,
Journal Year:
2024,
Volume and Issue:
25(11), P. 7518 - 7528
Published: Nov. 1, 2024
In
situ
gelling
eye
drops
of
tacrolimus
(FK506
Gel)
were
developed
to
address
the
formulation
challenge
for
anterior
ocular
inflammatory
diseases.
Both
in
silico
and
vitro
investigations
conducted
screen
a
suitable
cyclodextrin
species
increase
drug
solubility.
Guanosine
was
employed
as
gelator
combined
with
inclusion
complexes
presence
borate
anions
obtain
FK506
Gel,
which
gelated
when
came
into
contact
cations
tear
fluid
led
formation
nanofibrous
hydrogel.
The
versatility
our
design
improve
solubility
retention
hydrophobic
demonstrated
vivo
coumarin
6
model
drug.
A
mouse
dry
used
evaluate
therapeutic
effects
which,
combination
biocompatibility
study,
suggested
that
Gel
served
superior
treatment
Analytical Chemistry,
Journal Year:
2024,
Volume and Issue:
96(49), P. 19422 - 19429
Published: Nov. 26, 2024
Donor–acceptor
(D-A)
conjugated
polymers
have
large
Stokes
shifts,
high
photostability,
and
good
biocompatibility
thus
are
ideal
for
use
as
Raman
probes
in
vivo.
However,
few
D–A
used
imaging
due
to
their
weak
signal
intensity
intrinsic
fluorescence
interference.
Here,
we
developed
a
polymer
probe
(CDT-TT)
containing
alternating
cyclopentadithiophene-thienothiophene
units
of
tumor
sentinel
lymph
nodes
(SLNs).
The
CDT-TT
shows
strong
at
1389
cm–1
without
lipid
background
interference
under
785
nm
near-infrared
light.
Moreover,
the
loaded
nanoparticles
realized
accurate
cells
tissues.
In
addition,
high-resolution
margin
situ
SLNs
was
acquired.
Taken
together,
established
method
is
effective
detection
tumors
SLNs,
which
may
shed
new
light
on
development
clinical
imaging.
STUDIES IN ENGINEERING AND EXACT SCIENCES,
Journal Year:
2024,
Volume and Issue:
5(2), P. e11649 - e11649
Published: Dec. 6, 2024
In
this
work
the
study
investigates
intermolecular
interactions
in
Guanosine
(Guo)
into
β-cyclodextrin
(β-CD)
and
their
derivatives,
such
as
hydroxypropyl-βCD
(HPβCD)
inclusion
complexes
using
Density
Functional
Theory
including
dispersion
correction
(DFT-D3)
method
following
functional,
B3LYP/6-31G
basis
set
both
gaz
aqueous
phases.
These
geometries
were
optimized
final
results
examined
contrasted.
The
global
chemical
reactivity
descriptors,
Fukui
function,
HOMO
LUMO
energies
calculated.
TD-DFT
was
used
to
determine
absorption
spectra.To
forecast
reactive
sites
for
electrophilic
nucleophilic
attack,
molecular
electrostatic
potential
computed.
interaction
bonds
investigated
formation
of
conventional
hydrogen
detected
by
AIM
analysis.
nature
further
elucidated
non-covalent
(NCI).
This
showed
that
van
der
Waals
contribute
significantly
complex.
To
gain
more
insight
emission
complex,
gap
energy
(EHOMO-ELUMO)
