The Journal of Physical Chemistry B,
Год журнала:
2024,
Номер
128(50), С. 12559 - 12570
Опубликована: Дек. 10, 2024
Aggregation-induced
emission
(AIE)
phenomena
have
garnered
significant
attention
due
to
their
applications
in
various
fields,
ranging
from
materials
science
biomedicine.
Despite
substantial
progress,
the
underlying
mechanism
governing
AIE
activity
of
molecules
remains
elusive.
This
study
employs
a
comprehensive
and
multiscale
approach,
combining
experimental
theoretical
methodologies,
discern
determinants
activity.
Our
investigations
involve
synthesizing
four
organic
with
D-π–A-D
architecture,
accompanied
by
quantum
mechanics
(QM)
molecular
dynamics
(MD)
simulations,
providing
deep
understanding
interactions
within
aggregates.
The
symmetry-adapted
perturbation
theory
(SAPT)
calculations
further
corroborate
our
findings,
revealing
clear
correlation
between
type
aggregate
formed.
Specifically,
we
demonstrate
that
AIE-active
exhibit
distinctive
J-type
aggregation
characterized
enhanced
S1
state.
In
contrast,
AIE-inactive
adopt
an
H-type
configuration,
where
state
is
constrained.
addition,
investigated
subcellular
localization
molecules,
lipid
droplets.
findings
contribute
fundamental
provide
insights
into
design
principles
for
potential
advanced
sensing
imaging
technologies.
Organelle
selective
fluorescent
probes,
especially
those
capable
of
concurrent
detection
specific
organelles,
are
benefit
to
the
research
community
in
delineating
interplay
between
various
organelles
and
impact
such
interaction
maintaining
cellular
homeostasis
its
disruption
diseased
state.
Although
very
useful,
probes
synthetically
challenging
design
due
stringent
lipophilicity
requirement
posed
by
different
hence,
lack
being
reported
so
far.
This
work
details
synthesis,
photophysical
properties,
imaging
studies
two
bora-diaza-indacene
based
that
can
specifically
simultaneously
visualise
lipid
droplets
endoplasmic
reticulum;
suggested
having
close
interactions
implicated
stress-induced
dysfunction
disease
progression.
Inorganic Chemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 27, 2024
We
have
prepared
and
characterized
two
diradicaloid
systems
5a
5b
that
originated
from
the
oxidation
of
a
1,7-(4-(2,6-di-tert-butyl)phenol)-substituted
aza-BODIPY
core.
The
diradicaloids
were
by
large
array
experimental
computational
methods.
diamagnetic
closed-shell
state
was
postulated
as
ground
in
solution
solid-state
with
substantial
thermal
population
originating
both
open-shell
diradical
triplet
states
observed
at
room
temperature.
Transient
absorption
spectroscopy
indicates
fast
(<10
ps)
excited
deactivation
pathways
associated
target
compounds'
character
Variable-temperature
1H
NMR
spectra
indicate
solvent
dependency
5b.
could
be
stepwise
reduced
to
mixed-valence
radical-anion
dianion
upon
consequent
single-electron
reductions.
Similarly,
deprotonated
aza-BODIPYs
can
oxidized
form.
Both
dianionic
forms
exhibit
an
intense
NIR
region.
Density
functional
theory
(DFT)
time-dependent
DFT
calculations
used
explain
transformations
UV–Vis-NIR
all
compounds.
RSC Chemical Biology,
Год журнала:
2025,
Номер
6(3), С. 376 - 386
Опубликована: Янв. 1, 2025
The
LutR
protein
represses
the
transcription
of
genes
encoding
enzymes
for
utilization
l-lactate
in
Bacillus
subtilis
through
binding
to
a
specific
DNA
region.
In
this
study,
we
employed
oligonucleotide
probes
modified
by
viscosity-sensitive
tetramethylated
thiophene-BODIPY
fluorophores
investigate
impact
selected
metabolites
on
LutR-DNA
complex.
Our
goal
was
identify
effector
molecule
whose
alters
protein-DNA
affinity,
thereby
enabling
gene
transcription.
designed
exhibited
distinctive
responses
and
release
protein,
characterized
significant
alterations
fluorescence
lifetime.
Through
method,
have
identified
as
sole
metabolite
exerting
substantial
modulating
effect
interaction
thus
confirmed
its
role
an
molecule.
Moreover,
showed
that
our
approach
able
follow
conformation
changes
affecting
which
were
not
captured
other
methods
commonly
used
study
interaction,
such
electro-mobility
shift
assays
florescence
anisotropy
studies.
This
work
underlines
potential
environment-sensitive
fluorophore-linked
nucleotide
modifications,
i.e.
dCTBdp,
studying
dynamics
subtle
interactions.
The Journal of Organic Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Июнь 4, 2025
Excited-state
charge
transfer
(CT)
and
the
formation
of
twisted
conformers
govern
optical
properties
a
wide
range
dyes.
Aminonaphthalimide
(ANI)
derivatives,
popular
photosensitizers
for
blue
light,
are
no
exception.
The
focus
herein
is
on
an
ANI
derivative
with
aliphatic
amine,
which
ensures
its
solubility
in
broad
variety
solvents
including
water.
Increasing
solvent
polarity
quenches
fluorescence
because
expected
dark
intramolecular
charge-transfer
(TICT)
state.
Contrary
to
expectations,
however,
viscous
polar
alcohols,
inhibit
conformational
changes
leading
TICT
state,
only
marginally
recover
emission.
Our
analysis
reveals
that
"solubilizing"
amine
forms
exciplex,
providing
alternative
nonradiative
deactivation
pathways
without
significant
eliminating
viscosity
dependence
fluorescence.
findings
also
show
substantial
photophysics
hydrogen
bonding
solvating
media,
considerably
enhancing
effects.
As
result,
quantum
yield
(exceeding
0.4
moderately
solvents)
drops
below
0.001
when
transferred
aqueous
media.
This
feature
allows
one
showcase
utility
such
dyes
imaging
bacterial
cells,
complementing
their
growing
popularity
CT,
spintronics,
materials,
biomedical
applications.
Analytical Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Июнь 5, 2025
Phase
transitions
in
respiratory
and
environmental
aerosols
impact
critical
processes
ranging
from
virus
transmission
to
atmospheric
light
scattering.
Yet,
small
particle
sizes
low
mass
densities
air
make
experimental
measurements
of
aerosol
phase
state
challenging.
Fluorescence
probe
spectroscopy
is
one
the
only
analytical
techniques
capable
determining
situ
at
submicron
that
are
implicated
long-range
dominate
size
distribution
atmosphere.
However,
previous
fluorescent
probe-based
have
relied
on
solvatochromic
molecules
their
associated
relatively
shifts
emission
wavelength,
necessitating
high-resolution
spectral
greatly
limiting
optical
throughput
therefore
sensitivity.
Here,
demonstrated
using
a
different
class
molecules,
excited-state
intramolecular
proton
transfer
(ESIPT)
probes,
exhibit
two
peaks
with
an
intensity
ratio
highly
dependent
surrounding
chemical
environment.
The
ESIPT
2-(2-benzofuranyl)-3-hydroxychromone
shown
be
sensitive
state,
including
both
solid-liquid
liquid-liquid
transitions,
mixed
organic/inorganic
aerosols.
origin
sensitivity
was
investigated
by
varying
identity
constituents
results
indicate
particularly
presence
Na+
Cl-
ions,
which
involved
key
particles
as
well
sea-spray
These
findings
highlight
potential
ESIPT-based
sensing
powerful
technique
for
real
time
analysis
combining
unprecedented
simplicity.
Imaging
neuronal
architecture
has
been
a
recurrent
challenge
over
the
years,
and
localization
of
synaptic
proteins
is
frequent
in
neuroscience.
To
quantitatively
detect
analyze
structure
synapses,
we
recently
developed
free
SODA
software
to
association
pre
postsynaptic
proteins.
fully
take
advantage
spatial
distribution
analysis
complex
cells,
such
as
neurons,
also
selected
some
new
dyes
for
plasma
membrane
labeling.
Using
Icy
plugin,
could
both
conventional
single
molecule
microscopy,
giving
access
molecular
map
at
nanoscale
level.
replace
those
distributions
within
three-dimensional
(3D)
shape,
used
MemBright
probes
3D
STORM
decipher
entire
shape
various
dendritic
spine
types
single-molecule
resolution
We
report
here
example
mask,
but
these
tools
have
broader
spectrum
interest
since
they
can
be
whatever
or
cellular
type.
Altogether
with
thus
provide
perfect
toolkit
nanometric
context.
