Scientific Reports,
Journal Year:
2024,
Volume and Issue:
14(1)
Published: Dec. 4, 2024
In
the
present
study,
solubility
of
sulfasalazine
in
carbon
dioxide
was
investigated
at
temperatures
ranging
from
313
K
to
343
and
pressures
12
30
MPa.
The
experimentally
determined
molar
solubilities
ScCO2
were
found
be
range
4.08
×
10−
5
8.61
K,
3.54
11.41
323
3.04
13.64
333
2.66
16.35
K.
values
correlated
via
a
number
different
types
equations,
such
as
semi-empirical
correlations,
Peng-Robinson,
PC-SAFT
equation,
regular
solution.
Furthermore,
findings
demonstrate
that
semi-empirical,
equation
state
models,
solution
model
possess
capability
precisely
determining
solubility.
Moreover,
magnitude
suggests
gas
anti-solvent
method
may
viable
approach
for
nanoparticle
production.
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: Feb. 12, 2025
Accurate
estimation
of
the
solubility
solid
drugs
(SDs)
in
supercritical
carbon
dioxide
(SC-CO2)
plays
an
essential
role
related
technologies.
In
this
study,
artificial
intelligence
models
(AIMs)
by
gene
expression
programming
(GEP)
and
adaptive
neuro-fuzzy
inference
system
(ANFIS)
methods
were
applied
to
estimate
SDs
SC-CO2.
Hence,
a
comprehensive
database
(1816
datasets)
comprising
operational
conditions
(T,
P)
wide
ranges
(308–348.2
K
80–400
bar),
SD's
molecular
weight
(MWSDs),
melting
point
(MPSDs)
gathered.
Investigation
analysis
models'
strength
showed
that
model
developed
ANFIS
exhibited
more
satisfactory
approximation
than
GEP
model.
According
optimized
model,
statistical
parameters
R2,
RMSE,
MAE,
AARD%
obtained,
equivalent
0.991,
0.260,
0.167,
13.890%
for
training
0.990,
0.256,
0.157,
15.273%
validation,
order.
Sensitivity
highest
effect
independent
variables
on
calculating
SC-CO2
belong
MWSDs,
P,
MPSDs,
T,
respectively.
Therefore,
MWSDs
is
key
factor
modeling
various
Comparing
estimated
results
obtained
from
AIM
with
previous
semi-empirical
AIMs
could
be
accurate
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: Feb. 7, 2025
In
order
to
provide
the
facilities
design
supercritical
fluid
(SCF)
processes
for
micro
or
nanosizing
of
solid
solute
compounds
such
as
drugs,
it
is
essential
obtain
their
solubility
in
green
solvents
like
pressurized
CO2.
This
important
role
first
stage
assessing
each
SCF
technology.
A
statistical
method
was
developed
time
and
employed
determine
5-fluorouracil
(5-Fu)
solubility.
The
measurements
were
performed
at
different
pressures
(120-270
bar)
temperatures
(308-338
K)
through
UV-vis
spectrophotometry,
time.
obtained
between
0.0024
0.0176
g/L.
5-Fu
mole
fraction
constant
temperature,
increases
with
an
increase
pressure.
Whereas,
a
crossover
point
has
been
seen.
Three
models
approaches
applied
correlate
model
experimental
data
set:
(i)
seven
density-based
models,
(ii)
PR
equations
state
(vdW2
mixing
rule),
(iii)
machine
learning-based
namely
non-linear
regressions,
Random
Forest,
Gradient
Boosting,
Decision
Tree,
Kernel
Ridge.
All
tested
successfully
within
acceptable
accuracy.
Meanwhile,
empirical
suggested
by
Sodeifian
2,
superior
lowest
AARD%
(AARD
=
4.12%).
Finally,
total,
solvation,
vaporization
enthalpies
drug/Sc-CO2
binary
system
determined
using
semi-empirical
correlations,
Journal of CO2 Utilization,
Journal Year:
2024,
Volume and Issue:
84, P. 102847 - 102847
Published: June 1, 2024
Supercritical
anti-solvent
(SAS)
method
is
a
solvent-free
approach
where
supercritical
carbon
dioxide
(SC-CO2)
used
as
and
one
can
control
the
output
particle
size
without
disturbing
nature
of
particles.
The
primary
objective
this
study
to
develop
SAS
for
production
Tamsulosin
(TML)
nanoparticles
investigate
parameters
affecting
resultant
size.
In
order
optimize
nano-sized
particles,
response
surface
methodology
(RSM)
based
on
Box-Behnken
design
(BBD
(was
used.
Using
dynamic
light
scattering
(DLS)
scanning
electron
microscopy
(SEM)
analyses,
morphologies
mean
diameter
ranges
were
examined.
To
look
into
how
process
affects
TML's
chemical
physical
characteristics,
Fourier-transform
infrared
spectroscopy
(FT–IR),
X-ray
diffraction
analysis
(XRD)
differential
calorimetry
(DSC)
further
performed.
acquired
results
demonstrated
that
pressure
imposes
largest
impact
TML
production,
with
exhibiting
an
inverse
correlation
pressure.
Observations
indicated
increase
in
increasing
temperature
from
35
50
°C.
By
flow
rate
drug
solution,
average
exhibited
initial
decrease
followed
by
trend.
Results
optimization
showed
at
pressure,
temperature,
injection
25
MPa,
41.3
°C,
2.9
mL/min,
respectively,
particles
shrink
600
nm.
Case Studies in Thermal Engineering,
Journal Year:
2024,
Volume and Issue:
55, P. 104146 - 104146
Published: Feb. 17, 2024
In
this
study,
the
solubility
of
oxycodone
hydrochloride
(OXH)
in
supercritical
carbon
dioxide
(SC–CO2)
was
investigated
at
various
conditions,
temperature
(308–338
K)
and
pressure
(120–270
bar),
for
first
time.
The
ranged
from
0.007
to
0.109
g/L,
corresponding
mole
fractions
ranging
0.051
×
10−5
0.699
10−5.
Three
different
model
groups
were
used
analyze
experimental
data.
group
comprised
seven
semi-empirical
models,
with
3–6
adjustable
parameters.
These
models
include
Sparks,
Sodeifian
1
2,
Bian,
Jouyban,
Gordillo
Jafari-Nejad.
second
employed
two
state
equations,
namely
Peng-Robinson
(PR)
Soave-Redlich-Kwong
(SRK)
van
der
Waals
mixing
rule.
average
absolute
relative
deviation
percentage
(AARD%)
9.73
10.63
PR
SRK,
respectively.
third
utilized
four
machine
learning
algorithms
including
DNN,
RF,
MLP
DTs
respective
R2
values
0.992,
0.980,
0.964
0.961,
All
exhibited
satisfactory
agreement
Finally,
enthalpies
vaporization
(79.71
kJ/mol)
solvation
(−19.25
calculated
Case Studies in Thermal Engineering,
Journal Year:
2024,
Volume and Issue:
61, P. 105074 - 105074
Published: Sept. 1, 2024
The
complete
investigation
of
the
solubility
Ceftriaxone
sodium
drug
has
not
yet
been
conducted.
This
communication
investigates
in
supercritical
CO2
(SC-CO2)
for
first
time.
measurements
were
performed
using
utilizing
UV-vis
analysis
under
different
operation
conditions
(at
P
(bar)
=
120-270
and
T
(K)
308-338).
results
demonstrated
that
ranged
from
0.90
×
10-6
to
8.01
10-6.
mole
fraction
increases
proportionally
with
an
increase
pressure,
while
maintaining
a
constant
temperature.
However,
crossover
was
noted.
behavior
SC-CO2
modeled
by
Peng-Robinson
equation
state
(PR
EoS)
Kwak-Mansoori
van
der
Waals
mixing
rules
seven
semi-empirical
correlations
(Bian
et
al.,
Kumar-Johnston,
Chrastil,
Garlapati-Madras,
Bartle
Sung-Shim
Sodeifian
al.,).
vaporization,
total
solvation
enthalpies
sodium/SC-carbon
dioxide
system
obtained
KJ,
al.
correlations.
evaluation
two
methods
absolute
average
relative
deviation
(AARD%).
Both
models
exhibited
satisfactory
level
agreement
experimental
data.
Finally,
PR/KM
EoS
Chrastil
models,
AARD%
values
8.70%
8.10%
respectively,
showed
superior
precision
accurately
fitting
Journal of Chemical & Engineering Data,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 15, 2025
This
study
investigates
the
solubility
of
Baclofen
in
supercritical
CO2,
which
is
essential
for
developing
an
efficient
drug
delivery
system
using
processes.
Solubility
measurements
were
carried
out
both
with
and
without
presence
various
cosolvents
(ethanol
dimethyl
sulfoxide
(DMSO)),
across
a
temperature
range
308–338
K
pressure
12–30
MPa.
exhibited
ranging
from
1.62
×
10–5
to
2.30
mole
fractions
pure
CO2.
In
cosolvents,
increased
5.76
12.79
ethanol
3.50
7.02
DMSO.
Indeed,
addition
DMSO
by
approximately
3.55–5.56
times
2.15–3.05
times,
respectively.
Several
density-based
empirical
models
thermodynamic
(Soave–Redlich–Kwong
(SRK)
Peng–Robinson
(PR)
equations
state)
used
correlate
data.
Jafari
Nejad's
model
CO2–Baclofen
Jouyban's
CO2–ethanol/DMSO–Baclofen
systems
displayed
higher
consistency.
Also,
PR
showed
better
accuracy
correlating
while
SRK
outperformed
CO2–ethanol/DMSO
cosolvents.
Moreover,
machine
learning
exceptional
accuracy,
over
99%
predictions
closely
matching
experimental
data,
emphasizing
its
outstanding
performance.
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: Jan. 26, 2025
The
supercritical
antisolvent
(SAS)
method
can
effectively
improve
the
bioavailability
of
poorly
water-soluble
drugs.
However,
current
equipment
and
processes
were
not
fully
developed,
making
industrialization
difficult
to
achieve.
Therefore,
an
externally
adjustable
annular
gap
nozzle
its
supporting
designed.
Curcumin
was
used
as
a
model
drug,
ethanol
solvent,
carbon
dioxide
(SC-CO2)
antisolvent.
Building
on
single-factor
experiments,
Box-Behnken
Design-Response
Surface
Methodology
(BBD-RSM)
employed
systematically
investigate
effects
four
process
parameters—crystallizer
pressure
(12–16
MPa),
crystallizer
temperature
(313–323
K),
solution
concentration
(1–2
mg/mL),
CO2/solution
flow
rate
ratio
(133–173
g/g)—on
morphology
particle
size
curcumin
particles.
Using
scanning
electron
microscopy
(SEM)
dynamic
light
scattering
(DLS)
analyses,
morphologies
mean
diameter
ranges
examined.
To
look
into
how
SAS
affects
TML's
chemical
physical
characteristics,
X-ray
diffraction
analysis
(XRD)
Fourier-transform
infrared
spectroscopy
(FT-IR)
further
performed.
Experimental
results
show
that,
had
greatest
effect
size,
followed
by
concentration,
while
least
influence.
optimum
conditions
are
operational
set
with
15
MPa,
320
K,
1.2
mg/mL,
134
g/g,
resulting
in
submicron
particles
average
808
nm
being
obtained.
This
study
demonstrated
feasibility
associated
process,
showcasing
significant
potential
for
reducing
enhancing
