Conformational analysis of arbidol in supercritical carbon Dioxide: Insights into 'opened' and 'closed' conformer groups
Journal of Molecular Liquids,
Год журнала:
2024,
Номер
397, С. 124074 - 124074
Опубликована: Янв. 24, 2024
Язык: Английский
Rational Design of the Carbamazepine Ternary Cocrystals
Crystal Growth & Design,
Год журнала:
2024,
Номер
24(11), С. 4862 - 4873
Опубликована: Май 28, 2024
The
first
ternary
cocrystals
of
carbamazepine
(CBZ)
were
successfully
identified
through
a
large-scale
screening.
A
design
strategy
involved
the
use
an
aliphatic
dicarboxylic
acid
to
link
CBZ
and
third
component
into
hydrogen-bonded
trimeric
unit.
Out
10
acids
tested,
only
malonic
produced
positive
response
in
attempt
obtain
with
benzamide
picolinamide.
crystal
structures
novel
obtained
by
vapor
diffusion
crystallization
determined
single-crystal
X-ray
diffraction.
Structural
analysis
revealed
that
are
isostructural
exhibit
packing
trimers
ladder-like
chains.
relationship
between
binary
was
confirmed
comparing
structures.
cocrystal
solubility
method
applied
estimate
thermodynamic
parameters
formation.
negative
values
Gibbs
free
energy,
enthalpy,
entropy
indicate
reaction
formation
is
thermodynamically
favored
process
driven
enthalpy.
Despite
nature,
physicochemical
properties
cocrystals,
including
melting
point
solubility,
strongly
influenced
variable
coformer.
Язык: Английский
Virtual Screening, Polymorphism, and Formation Thermodynamics Study of Riluzole Multicomponent Crystals with Dihydroxybenzoic Acids
Crystal Growth & Design,
Год журнала:
2024,
Номер
unknown
Опубликована: Окт. 30, 2024
Язык: Английский
A Comprehensive Review on Theoretical Screening Methods for Pharmaceutical Cocrystals
Journal of Molecular Structure,
Год журнала:
2024,
Номер
1321, С. 139868 - 139868
Опубликована: Сен. 1, 2024
Язык: Английский
Exploring the differences in crystal structure landscapes and physicochemical properties of enrofloxacin through the number of -OH in coformers: A case study
Journal of Molecular Structure,
Год журнала:
2024,
Номер
1309, С. 138176 - 138176
Опубликована: Март 28, 2024
Язык: Английский
Prediction of molecular packing characteristics of two-component crystals
CrystEngComm,
Год журнала:
2024,
Номер
26(25), С. 3283 - 3288
Опубликована: Янв. 1, 2024
Linear
correlation
equations
linking
the
β
(CC)
parameter
of
two-component
crystals
with
similar
(CF2)
single-component
crystal
for
strictly
fixed
temperatures
were
derived.
Язык: Английский
Pyridine derivatives sublimation processes: Fundamental aspects and application for two-component crystals screening
Physical Chemistry Chemical Physics,
Год журнала:
2024,
Номер
26(34), С. 22558 - 22571
Опубликована: Янв. 1, 2024
The
saturated
vapour
pressures
of
five
heterocyclic
compounds
containing
the
pyridine
fragment,
namely,
three
isomers
aminopyridine
(2-aminopyridine
(2AmPy),
3-aminopyridine
(3AmPy),
and
4-aminopyridine
(4AmPy));
3-hydroxypyridine
(3OHPy)
2-(1
Язык: Английский
Mechanochemical Transformations of Pharmaceutical Cocrystals: Polymorphs and Coformer Exchange
Chemistry - A European Journal,
Год журнала:
2024,
Номер
unknown
Опубликована: Окт. 10, 2024
Abstract
Transformations
of
solid
samples
under
solvent‐free
or
minimal
solvent
conditions
set
the
future
trend
and
define
a
modern
strategy
for
production
new
materials.
Of
various
technologies
tested
in
recent
years,
mechanochemical
approach
seems
to
be
most
promising
economic
ecological
reasons.
The
aim
this
review
article
is
present
current
state
art
research
on
binary
systems,
which
have
found
numerous
applications
pharmaceutical
materials
science
industries.
This
divided
into
three
sections.
In
first
part,
we
describe
equipment
improvements,
include
innovative
application
thermo‐mechanochemistry,
sono‐mechanochemistry,
photo‐mechanochemistry,
electro‐mechanochemistry,
as
well
resonant
acoustic
mixing
(RAM),
transformation
high‐speed
sample
spinning
(“SpeedMixing”).
A
brief
description
techniques
dedicated
ex‐situ
in‐situ
studies
progress
mechanism
matter
(PXRD,
FTIR,
Raman
NMR
spectroscopy)
presented.
second
section,
discuss
problem
cocrystal
polymorphism
highlighting
issue
related
with
correlation
between
parameters
(
time,
temperature,
energy,
molar
ratio,
used
liquid
assistant,
surface
crystal
size,
shape)
preference
formation
requested
polymorph.
last
part
devoted
processes
coformer
exchange
systems
forced
by
mechanical
and/or
thermal
stimuli.
influence
thermodynamic
factor
selection
best‐suited
partner
two‐component
stable
structure
Язык: Английский