Atomically
precise
metal
nanoclusters
(MNCs)
represent
a
fascinating
class
of
ultrasmall
nanoparticles
with
molecule-like
properties,
bridging
conventional
metal-ligand
complexes
and
nanocrystals.
Despite
their
potential
for
various
applications,
synthesis
challenges
such
as
understanding
varied
synthetic
parameters
property-driven
persist,
hindering
full
exploitation
wider
application.
Incorporating
smart
methodologies,
including
closed-loop
framework
automation,
data
interpretation,
feedback
from
AI,
offers
promising
solutions
to
address
these
challenges.
In
this
perspective,
we
summarize
the
that
has
been
demonstrated
in
nanomaterials
explore
research
frontiers
MNCs.
Moreover,
perspectives
on
inherent
opportunities
MNCs
are
discussed,
aiming
provide
insights
directions
future
advancements
emerging
field
AI
Science,
while
integration
deep
learning
algorithms
stands
substantially
enrich
by
offering
enhanced
predictive
capabilities,
optimization
strategies,
control
mechanisms,
thereby
extending
MNC
synthesis.
Advanced Optical Materials,
Год журнала:
2024,
Номер
12(19)
Опубликована: Май 11, 2024
Abstract
DNA‐stabilized
silver
nanoclusters
(DNA‐AgNCs)
are
a
class
of
emitters
that
have
primarily
been
studied
for
their
molecular‐like
photophysical
properties
with
ns‐lived
fluorescence.
However,
µs‐lived
luminescence
has
recently
reported
an
increasing
number
DNA‐AgNCs,
but
little
is
still
known
about
the
origin
long‐lived
emission.
To
deepen
understanding
state,
(DNA)
2
‐[Ag
11
]
7+
,
emitter
short‐
and
dual
emission,
studied.
By
examining
crystals
it
found
fluorescence
transitions
orthogonal
to
each
other,
which
implies
components
long
axis
AgNC,
such
as
nucleobases,
contribute
significantly
polarization
character
luminescent
state.
The
effect
hydration
level
on
emission
dried
droplets
also
investigated,
water
drastically
reduces
from
state
causes
redshift
Finally,
unusual
excitation
intensity‐dependent
response
noticed.
This
ascribed
heterogeneous
local
environment
amorphous
solid
resulting
in
different
conformations
optically
activated
delayed
probabilities.
presented
results
provide
new
key
insights
into
nature
DNA‐AgNCs.
Understanding
the
mechanism
for
formation
of
metal
nanoclusters
is
an
open
challenge
in
nanoscience.
Computational
modeling
can
provide
molecular
details
nanocluster
that
are
otherwise
inaccessible.
However,
simulating
nucleation
solution
presents
significant
challenges,
including
inaccurate
energy
predictions
and
limitations
on
system
size
time
scale.
This
work
addresses
these
challenges
by
combining
deep
neural
networks
(DNNs)
with
well-tempered
metadynamics
(WT-MetaD)
to
model
a
prototypical
nanocluster,
Ag6(SCNH2)6
methanol.
A
neural-network-potential-based
unbiased
dynamics
simulation
captured
cluster's
dynamic
behavior,
while
WT-MetaD
simulations
revealed
almost
barrierless
transition
from
dispersed
precursors
nucleated
state.
The
method's
robustness
was
further
demonstrated
scaling
up
30
randomly
distributed
precursors,
which
resulted
spontaneous
nucleation.
study
first
successful
DNN
density-functional-theory-level
accuracy,
paving
way
advancements
field.
Analytical Methods,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 1, 2025
This
study
uses
ATR-FTIR
and
chemometrics
to
analyze
silicone/silica
nanocomposite
interface
during
extraction.
PCA
reveals
spectral
shifts
clarifying
bound
rubber
filler
network
development.
Near-infrared
(NIR)
emitters
with
high
two-photon
absorption
(2PA)
cross-sections
are
of
interest
to
enable
in
vivo
imaging
the
tissue
transparency
windows.
This
study
explores
potential
DNA-stabilized
silver
nanoclusters
(AgN-DNAs)
as
water-soluble
absorbers.
We
investigate
2PA
four
different
atomically
precise
AgN-DNA
species
far-red
NIR
emission
and
varying
nanocluster
ligand
compositions.
cross-sections,
σ2,
were
determined
by
excited
luminescence
(TPEL)
technique
for
a
wide
wavelength
range
from
810
1400
nm.
The
AgN-DNAs
exhibited
reversed
strength
corresponding
transitions
regime,
compared
one-photon,
which
adds
another
puzzle
complex
photophysics
these
emitters.
Maximal
cross-section
value
(813
GM)
was
observed
(DNA)3[Ag21]15+,
is
stabilized
3
DNA
oligomers.
(DNA)2[Ag16Cl2]8+
presented
distinct
behavior
without
chlorido
ligands,
presenting
176
GM
at
1050
Our
findings
support
NIR-to-NIR
probes
that
both
emit
NIR.
Their
σ2
fluorescence
quantum
yield
results
superior
brightness
on
order
~10^2
GM,
significantly
higher
than
organic
fluorophores.
Nano Letters,
Год журнала:
2024,
Номер
24(26), С. 7987 - 7991
Опубликована: Июнь 21, 2024
DNA-stabilized
silver
nanoclusters
(DNA-AgNCs)
are
a
class
of
fluorophores
with
interesting
photophysical
properties
dominated
by
the
choice
DNA
sequence.
Screening
methods
ultraviolet
excitation
and
steady
state
well
plate
readers
have
previously
been
used
for
deepening
understanding
between
sequence
emission
color
resulting
DNA-AgNCs.
Here,
we
present
new
method
screening
DNA-AgNCs
using
pulsed
white
light
(λ
The Journal of Physical Chemistry Letters,
Год журнала:
2024,
Номер
15(42), С. 10710 - 10717
Опубликована: Окт. 17, 2024
The
luminescent
quantum
yield
of
silver-cluster
emitters
stabilized
by
short
oligonucleotides
(AgN-DNA)
may
be
efficiently
tuned
replacing
nucleobases
in
their
stabilization
DNA
matrices
with
analogues.
In
the
present
study,
we
proposed
a
valuable
and
straightforward
theoretical
methodology
for
assessing
photophysical
behaviors
emerging
AgN-DNA
after
excitation.
Using
green
Ag10-DNA
near-IR
Ag16-DNA
demonstrate
how
point
guanine/inosine
replacement
could
affect
rate
constants
radiative/nonradiative
processes.
main
deactivation
channel
fluorescence
is
intersystem
crossing,
which
line
experimental
data,
whereas
calculations
overestimate
crossing
possibly
due
to
pure
solvent
contributions.
