ACS ES&T Engineering,
Год журнала:
2023,
Номер
4(1), С. 66 - 95
Опубликована: Окт. 12, 2023
The
constant
development
of
computer
systems
and
infrastructure
has
allowed
computational
chemistry
to
become
an
important
component
environmental
research.
In
the
past
decade,
application
quantum
classical
mechanical
calculations
model
understand
increased
exponentially.
this
review,
we
highlight
various
applications
techniques
in
areas
research
(e.g.,
wastewater/air
treatment,
sensing,
biodegradation).
We
briefly
describe
each
approach,
starting
with
principle
methods
followed
by
molecular
mechanics
(MM),
dynamics
(MD),
hybrid
QM/MM
methods.
recent
introduction
artificial
intelligence
machine
learning
their
potential
disrupt
field
are
also
discussed.
Challenges
current
future
directions
address
them
presented.
Chemosensors,
Год журнала:
2023,
Номер
11(2), С. 110 - 110
Опубликована: Фев. 3, 2023
Precision
cancer
medicine
necessitates
a
personalized
treatment
plan
for
each
individual
patient.
Given
cancer’s
heterogeneity
and
dynamic
nature,
the
plot
of
patient-specific
signatures
composed
multiple
circulating
biomarkers
is
useful
to
reveal
complete
tumor
landscape
guiding
precision
medicine.
As
an
emerging
new
technology,
surface-enhanced
Raman
scattering
(SERS)
shows
intrinsic
advantage
performing
multiplexed
detection
with
extremely
narrow
spectral
line
widths.
In
this
review,
we
first
discuss
design
principle
SERS
nanotags
enable
biomarkers,
highlighting
important
roles
plasmonic
nanostructures
triple
bond-modulated
reporters.
Following
this,
detail
use
isotropic
anisotropic
as
enhancement
substrates
amplifying
signals
in
multi-biomarker
detection.
Furthermore,
present
molecules
reporters
expand
multiplexing
capability
biomarker
measurements.
Finally,
offer
critical
insights
into
challenges
perspectives
diagnosis,
particularly
from
aspect
future
clinical
transition.
It
expected
that
review
can
facilitate
more
functional
high
sensitivity
assist
early
accurate
screening.
We
also
believe
our
will
be
interest
fields
molecular
imaging,
biomedicine,
analytical
chemistry.
Scientific Reports,
Год журнала:
2023,
Номер
13(1)
Опубликована: Июль 7, 2023
Abstract
Marine
microplastics
are
emerging
as
a
growing
environmental
concern
due
to
their
potential
harm
marine
biota.
The
substantial
variations
in
physical
and
chemical
properties
pose
significant
challenge
when
it
comes
sampling
characterizing
small-sized
microplastics.
In
this
study,
we
introduce
novel
microfluidic
approach
that
simplifies
the
trapping
identification
process
of
surface
seawater,
eliminating
need
for
labeling.
We
examine
various
models,
including
support
vector
machine,
random
forest,
convolutional
neural
network
(CNN),
residual
(ResNet34),
assess
performance
identifying
11
common
plastics.
Our
findings
reveal
CNN
method
outperforms
other
achieving
an
impressive
accuracy
93%
mean
area
under
curve
98
±
0.02%.
Furthermore,
demonstrate
miniaturized
devices
can
effectively
trap
identify
smaller
than
50
µm.
Overall,
proposed
facilitates
efficient
microplastics,
potentially
contributing
crucial
long-term
monitoring
treatment
efforts.
ACS ES&T Engineering,
Год журнала:
2023,
Номер
4(1), С. 66 - 95
Опубликована: Окт. 12, 2023
The
constant
development
of
computer
systems
and
infrastructure
has
allowed
computational
chemistry
to
become
an
important
component
environmental
research.
In
the
past
decade,
application
quantum
classical
mechanical
calculations
model
understand
increased
exponentially.
this
review,
we
highlight
various
applications
techniques
in
areas
research
(e.g.,
wastewater/air
treatment,
sensing,
biodegradation).
We
briefly
describe
each
approach,
starting
with
principle
methods
followed
by
molecular
mechanics
(MM),
dynamics
(MD),
hybrid
QM/MM
methods.
recent
introduction
artificial
intelligence
machine
learning
their
potential
disrupt
field
are
also
discussed.
Challenges
current
future
directions
address
them
presented.
