Autonomous mobile robots for exploratory synthetic chemistry
Nature,
Год журнала:
2024,
Номер
635(8040), С. 890 - 897
Опубликована: Ноя. 6, 2024
Abstract
Autonomous
laboratories
can
accelerate
discoveries
in
chemical
synthesis,
but
this
requires
automated
measurements
coupled
with
reliable
decision-making
1,2
.
Most
autonomous
involve
bespoke
equipment
3–6
,
and
reaction
outcomes
are
often
assessed
using
a
single,
hard-wired
characterization
technique
7
Any
algorithms
8
must
then
operate
narrow
range
of
data
9,10
By
contrast,
manual
experiments
tend
to
draw
on
wider
instruments
characterize
products,
decisions
rarely
taken
based
one
measurement
alone.
Here
we
show
that
synthesis
laboratory
be
integrated
into
an
by
mobile
robots
11–13
make
human-like
way.
Our
modular
workflow
combines
robots,
platform,
liquid
chromatography–mass
spectrometer
benchtop
nuclear
magnetic
resonance
spectrometer.
This
allows
share
existing
human
researchers
without
monopolizing
it
or
requiring
extensive
redesign.
A
heuristic
decision-maker
processes
the
orthogonal
data,
selecting
successful
reactions
take
forward
automatically
checking
reproducibility
any
screening
hits.
We
exemplify
approach
three
areas
structural
diversification
chemistry,
supramolecular
host–guest
chemistry
photochemical
synthesis.
strategy
is
particularly
suited
exploratory
yield
multiple
potential
as
for
assemblies,
where
also
extend
method
function
assay
evaluating
binding
properties.
Язык: Английский
Autonomous Size-Targeting for Block Copolymer Nanoparticles
ACS Applied Polymer Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 2, 2025
Using
the
combination
of
flow
synthesis
with
online
dynamic
light
scattering
(DLS)
analysis
for
particle
size
characterization
and
fully
autonomous
computer
control
allows
reproducible
targetable
nanoparticles
from
block
copolymer
(BCP)
solutions
by
rapid
mixing
water
in
a
defined
micromixer
environment.
Bayesian
optimization
(BO),
nanoparticle
sizes
become
programmable
preselectable,
wide
range
can
be
obtained
per
used
BCP.
Specifically,
we
show
series
polystyrene-b-poly(N,N-dimethyl
acrylamide)
polystyrene-b-poly(poly(ethylene
glycol)
methyl
ether
acrylate)
BCPs
how
particles
spanning
130
to
280
nm
systematically
targeted,
between
100
1000
being
at
least
principle
also
achievable.
Further,
Pareto
fronts
individual
parameters
overall
rate,
volume
fraction,
polymer
concentration
are
established
routines
presented.
This
BO
approach
highlights
efficacy
platforms
achieving
precise
over
self-assembly
processes,
offering
an
optimal
production
window
development
polymeric
nanostructures
diverse
fields,
such
as
drug
delivery
materials
science.
Язык: Английский
Do-it-yourself instrument integration into an existing mammalian cell line development automation platform
SLAS TECHNOLOGY,
Год журнала:
2025,
Номер
31, С. 100246 - 100246
Опубликована: Янв. 9, 2025
Язык: Английский
Solvent Screening for Separation Processes Using Machine Learning and High-Throughput Technologies
Chem & Bio Engineering,
Год журнала:
2025,
Номер
2(4), С. 210 - 228
Опубликована: Март 5, 2025
As
the
chemical
industry
shifts
toward
sustainable
practices,
there
is
a
growing
initiative
to
replace
conventional
fossil-derived
solvents
with
environmentally
friendly
alternatives
such
as
ionic
liquids
(ILs)
and
deep
eutectic
(DESs).
Artificial
intelligence
(AI)
plays
key
role
in
discovery
design
of
novel
development
green
processes.
This
review
explores
latest
advancements
AI-assisted
solvent
screening
specific
focus
on
machine
learning
(ML)
models
for
physicochemical
property
prediction
separation
process
design.
Additionally,
this
paper
highlights
recent
progress
automated
high-throughput
(HT)
platforms
screening.
Finally,
discusses
challenges
prospects
ML-driven
HT
strategies
optimization.
To
end,
provides
insights
advance
future
Язык: Английский
Rapid synthesis of metastable materials for electrocatalysis
Chemical Society Reviews,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 1, 2025
Metastable
materials
are
considered
promising
electrocatalysts
for
clean
energy
conversions
by
virtue
of
their
structural
flexibility
and
tunable
electronic
properties.
However,
the
exploration
synthesis
metastable
via
traditional
equilibrium
methods
face
challenges
because
requirements
high
precise
control.
In
this
regard,
rapid
method
(RSM),
with
efficiency
ultra-fast
heating/cooling
rates,
enables
production
under
non-equilibrium
conditions.
relationship
between
RSM
properties
remains
largely
unexplored.
review,
we
systematically
examine
unique
benefits
various
techniques
mechanisms
governing
formation
materials.
Based
on
these
insights,
establish
a
framework,
linking
electrocatalytic
performance
Finally,
outline
future
directions
emerging
field
highlight
importance
high-throughput
approaches
autonomous
screening
optimal
electrocatalysts.
This
review
aims
to
provide
an
in-depth
understanding
electrocatalysts,
opening
up
new
avenues
both
fundamental
research
practical
applications
in
electrocatalysis.
Язык: Английский
Science acceleration and accessibility with self-driving labs
Nature Communications,
Год журнала:
2025,
Номер
16(1)
Опубликована: Апрель 24, 2025
Язык: Английский
Computer-Aided Retrosynthesis for Greener and Optimal Total Synthesis of a Helicase-Primase Inhibitor Active Pharmaceutical Ingredient
JACS Au,
Год журнала:
2024,
Номер
4(11), С. 4263 - 4272
Опубликована: Окт. 2, 2024
This
study
leverages
and
upgrades
the
capabilities
of
computer-aided
retrosynthesis
(CAR)
in
systematic
development
greener
more
efficient
total
synthetic
routes
for
active
pharmaceutical
ingredient
(API)
IM-204,
a
helicase-primase
inhibitor
that
demonstrated
enhanced
efficacy
against
Herpes
simplex
virus
(HSV)
infections.
Using
various
CAR
tools,
several
were
uncovered,
evaluated,
experimentally
validated,
with
goal
to
maximize
selectivity
yield
minimize
environmental
impact.
The
tools
revealed
options
under
different
constraints,
which
can
overperform
patented
route
used
as
reference.
selected
CAR-based
significant
improvement
from
8%
(patented
route)
26%,
along
moderate
overall
green
performance.
It
was
also
shown
human-in-the-loop
approach
be
synergistically
combined
drive
further
improvements
deliver
alternatives.
strategy
metrics
by
substituting
solvents
merging
two
steps
into
one.
These
changes
led
IM-204
synthesis
8
35%.
Additionally,
performance
score,
based
on
GreenMotion
metrics,
improved
0
18,
cost
building
blocks
reduced
550-fold.
work
demonstrates
potential
drug
development,
highlighting
its
capacity
streamline
processes,
reduce
footprint,
lower
production
costs,
thereby
advancing
field
toward
sustainable
practices.
Язык: Английский
Modeling Enzyme Kinetics: Current Challenges and Future Perspectives for Biocatalysis
Biochemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Сен. 26, 2024
Biocatalysis
is
becoming
a
data
science.
High-throughput
experimentation
generates
rapidly
increasing
stream
of
biocatalytic
data,
which
the
raw
material
for
mechanistic
and
novel
data-driven
modeling
approaches
predictive
design
improved
biocatalysts
bioprocesses.
The
holistic
molecular
understanding
enzymatic
reaction
systems
will
enable
us
to
identify
overcome
kinetic
bottlenecks
shift
thermodynamics
reaction.
full
characterization
community
effort;
therefore,
published
methods
results
should
be
findable,
accessible,
interoperable,
reusable
(FAIR),
achieved
by
developing
standardized
exchange
formats,
complete
reproducible
documentation
experimentation,
collaborative
platforms
sustainable
software
analyzing
repositories
publishing
together
with
data.
FAIRification
biocatalysis
prerequisite
highly
automated
laboratory
infrastructures
that
improve
reproducibility
scientific
reduce
time
costs
required
develop
synthesis
routes.
Язык: Английский
Accelerating the Discovery of Abiotic Vesicles with AI-Guided Automated Experimentation
Langmuir,
Год журнала:
2024,
Номер
41(1), С. 858 - 867
Опубликована: Дек. 30, 2024
The
first
protocells
are
speculated
to
have
arisen
from
the
self-assembly
of
simple
abiotic
carboxylic
acids,
alcohols,
and
other
amphiphiles
into
vesicles.
To
study
complex
process
vesicle
formation,
we
combined
laboratory
automation
with
AI-guided
experimentation
accelerate
discovery
specific
compositions
underlying
principles
governing
formation.
Using
a
low-cost
commercial
liquid
handling
robot,
automated
experimental
procedures,
enabling
high-throughput
testing
various
reaction
conditions
for
mixtures
seven
(7)
amphiphiles.
Multitemplate
multiscale
template
matching
(MMTM)
was
used
automate
confocal
microscopy
image
analysis,
us
quantify
formation
without
tedious
manual
counting.
results
were
create
Gaussian
surrogate
model,
then
active
learning
iteratively
direct
experiments
reduce
model
uncertainty.
Mixtures
containing
primarily
trimethyl
decylammonium
decylsulfate
in
equal
amounts
formed
vesicles
at
submillimolar
critical
concentrations,
more
than
20%
glycerol
monodecanoate
prevented
forming
even
high
total
amphiphile
concentrations.
Язык: Английский