Coatings,
Journal Year:
2025,
Volume and Issue:
15(5), P. 558 - 558
Published: May 7, 2025
The
current
study
represents
a
machine-learning
(ML)-assisted
reverse
polymer
engineering
for
the
rational
design
of
high-performance
benzothiophene
(BT)
benzodithiophene
(BDT)
polymers
photodetector
applications.
By
integrating
their
5617
units
with
various
acceptor
moieties,
total
72,976
unique
combinations
are
generated.
optical
properties
these
predicted
high
accuracy
(R2
=
0.86)
using
Gradient-Boosting
Regression
(GBR)
model.
SHAP
value-based
feature
importance
analysis
indicates
that
Chi0
is
most
influential
factor
in
predicting
absorption
maxima
(λmax)
polymers,
followed
by
LabuteASA,
Chi0V,
Chi1,
SlogP_VSA12,
and
other
molecular
descriptors.
robustness
employed
model
further
validated
through
K-Fold
cross-validation,
highest
mean
squared
error
(MSE)
observed
at
2.02
fold-2
subset.
designed
exhibit
λmax
within
range
400–750
nm,
demonstrating
suitability
Moreover,
Transformer-Assisted
Orientation
(TAO)
approach
to
optimize
design,
successfully
achieving
bandgaps
as
low
0.42
eV.
This
facilitates
rapid
optimization
tailored
electronic
properties,
effectively
addressing
limitations
conventional
trial-and-error
methods.
ML-assisted
presents
promising
strategy
expediting
development
photodetectors
advanced
optoelectronic
devices.
Beilstein Journal of Organic Chemistry,
Journal Year:
2024,
Volume and Issue:
20, P. 101 - 117
Published: Jan. 18, 2024
The
photoreactions
of
selected
styrylpyridine
derivatives
to
the
corresponding
benzo[
c
]quinolizinium
ions
are
described.
It
is
shown
that
these
reactions
more
efficient
in
aqueous
solution
(97–44%)
than
organic
solvents
(78–20%
MeCN).
quinolizinium
bind
DNA
by
intercalation
with
binding
constants
6–11
×
10
4
M
−1
,
as
photometric
and
fluorimetric
titrations
well
CD-
LD-spectroscopic
analyses.
These
ligand–DNA
complexes
can
also
be
established
situ
upon
irradiation
styrylpyridines
formation
intercalator
directly
presence
DNA.
In
addition
DNA-binding
properties,
tested
operate
photosensitizers,
which
induce
damage
at
relative
low
concentrations
short
times,
even
under
anaerobic
conditions.
Investigations
mechanism
revealed
involvement
intermediate
hydroxyl
radicals
C-centered
radicals.
Under
aerobic
conditions,
singlet
oxygen
only
contributes
marginal
extent
damage.
Physical Chemistry Chemical Physics,
Journal Year:
2024,
Volume and Issue:
26(8), P. 6834 - 6843
Published: Jan. 1, 2024
When
excited
by
visible
light,
relaxation
of
a
strained
molecule
in
the
β-phase
tetra-
ortho
-bromo
azobenzene
facilitates
light
induced
transition
to
α-phase.
This
produces
striking
photosalient
effect.
Advanced Materials,
Journal Year:
2024,
Volume and Issue:
36(35)
Published: June 20, 2024
Light-responsive
liquid
crystal
elastomers
(LCEs)
are
stimuli-responsive
materials
that
facilitate
the
conversion
of
light
energy
into
a
mechanical
response.
In
this
work,
novel
polysiloxane-based
LCE
with
donor-acceptor
Stenhouse
adduct
(DASA)
side-chains
is
synthesized
using
late-stage
functionalization
strategy.
It
demonstrated
approach
does
not
compromise
molecular
alignment
observed
in
traditional
Finkelmann
method.
This
easy,
single-batch
process
provides
robust
platform
to
access
well-aligned,
light-responsive
films
thickness
ranging
from
400
µm
14-layer
stack
5
mm
thick.
Upon
irradiation
low-intensity
broadband
visible
(100-200
mW
cm
Journal of Materials Chemistry C,
Journal Year:
2024,
Volume and Issue:
12(30), P. 11458 - 11473
Published: Jan. 1, 2024
Molecular
motions
within
functionalized
octupolar
NLO
chromophore,
with
photosensitive
chains
comprising
dual-constructed
azo/stilbene
units.
All-optical
switching
is
initiated
by
linearly
polarized
UV
light
and
monitored
using
red-light
laser
line.
RSC Advances,
Journal Year:
2025,
Volume and Issue:
15(12), P. 9018 - 9026
Published: Jan. 1, 2025
This
study
presents
a
novel
photopharmacological
strategy
to
mitigate
the
cytotoxic
effects
of
apo-hSOD1
S–S
,
misfolded
protein
implicated
in
neurodegenerative
diseases.
ChemistrySelect,
Journal Year:
2025,
Volume and Issue:
10(12)
Published: March 1, 2025
Abstract
Azobenzene‐based
compounds
have
recently
attracted
a
lot
of
attention
in
innovative
potential
applications
due
to
their
photoresponsive
properties
and
functions.
Herein,
we
present
comprehensive
theoretical
experimental
investigation
the
changes
physical
chemical
an
azobenzene‐based
compound
under
UV‐light
irradiation.
In
this
context,
first
novel
monomer
containing
fluorine‐substituted
photoactive
azobenzene
electroactive
carbazole
namely
(
E
)‐9‐(4‐(4‐((4‐(trifluoromethyl)phenyl)diazenyl)phenoxy)butyl)‐9
H
‐carbazole
(coded
as
Cz‐AzoCF
3
)
was
synthesized.
Theoretical
studies
were
conducted
using
Density
functional
theory
(DFT)
Time‐Dependent
DFT
(TD‐DFT)
methods,
utilizing
functionals
B3LYP
CAM‐B3LYP
(Becke‐3–Lee–Yang–Parr)
with
basis
set
6–31
G
(d,
p).
The
structural,
electronic,
vibrational
induced
by
light
analyzed
through
combination
approaches,
techniques
such
IR,
NMR,
UV–vis
spectroscopy.
conclusion,
high
correlation
observed
between
calculated
data.
This
remarkable
agreement
not
only
provides
robust
guiding
information
on
molecular
design
characterization
but
also
paves
way
for
new
studies.
From
perspective,
are
complementary
each
other.
The Journal of Organic Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 20, 2025
Visible-light
switchable
stilbenes
with
a
stable
Z
isomer
that
can
function
in
aqueous
media
are
notably
rare
the
literature.
The
synthesis
and
characterization
of
set
12
novel
molecules
featuring
an
aryl-substituted
heterostilbene
motif,
class
visible-light
stilbenes,
presented
here.
Leveraging
electronic
push-pull
mechanism,
strategic
selection
electron
donors,
indolinium
moiety
as
acceptor,
we
achieved
precise
tuning
switching
wavelengths.
Chemical Society Reviews,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 1, 2025
This
review
focuses
on
stimuli-responsive
material
(SRM)-based
data
protection,
emphasizing
the
integration
of
intricate
logic
and
algorithms
in
SRM-constructed
hardware.
It
also
discusses
current
challenges
future
directions
field.
