5 research outputs found
Solubility of Nifedipine in Ethanol + Water and Propylene Glycol + Water Mixtures at 293.2 to 313.2 K
The
solubility of nifedipine (NIF) in binary mixtures of ethanol (EtOH)
+ water and propylene glycol (PG) + water at 293.2, 298.2, 303.2,
308.2, and 313.2 K was measured. The Jouyban–Acree model and
its combination with van’t Hoff equation was used to predict
the solubility of NIF in the mixed solvents at different temperatures.
The solubility of NIF in EtOH + water mixtures have a maximum at 0.90
mass fraction of EtOH, but the solubility of NIF in PG + water reaches
to the maximum value in neat PG. Both mixtures (EtOH + water and PG
+ water) have a maximum solubility at 313.2 K. A mean relative deviation
(MRD) for the fitted data to the Jouyban–Acree model of 8.1%
and for combined method of 7.4% was obtained. The predicted MRDs for
the solubility data using previously trained models were 38.8%, 43.0%,
and 43.9%, and the MRD for predicted density value was 7.3%
Solubility of Etoricoxib in Aqueous Solutions of Glycerin, Methanol, Polyethylene Glycols 200, 400, 600, and Propylene Glycol at 298.2 K
Experimental
molar solubility of etoricoxib (ETR) in monosolvents
such as glycerin, methanol (MeOH), polyethylene glycol 200 (PEG 200),
polyethylene glycol 400 (PEG 400), polyethylene glycol 600 (PEG 600),
propylene glycol (PG), and their aqueous binary solvent systems in
various mass fraction compositions along with the solute-free and
saturated solution densities were measured at 298.2 K. The resulting
mole fraction solubility and density data were further correlated
and predicted with the Jouyban–Acree model. Overall mean percentage
deviations (OMPDs) between experimental and calculated mole fraction
solubilities were 3.5%. The solute-free density of the monosolvents
and their aqueous binary solvent systems were employed to train the
model and then the densities of the saturated solutions were predicted.
Moreover, OMPDs for back calculated solute-free densities and predicted
saturated solution densities were 0.07% and 0.40%, respectively. Thus,
the Jouyban–Acree model have potential use in preformulation
and formulation studies during which solubility and density calculations
are important physicochemical properties for design and development
of new drug products in pharmaceutical industries. The simulated data
could also be employed in crystallization and other related process
design in the pharmaceutical/chemical industry
Solubility of Carvedilol in Ethanol + Propylene Glycol Mixtures at Various Temperatures
Solubilities of carvedilol (CVD)
in binary mixtures of (ethanol
+ propylene glycol (PG)) at 298.2, 303.2, 308.2, and 313.2 K are reported.
The modified versions of the van’t Hoff and Gibbs equations
were used to calculate the thermodynamic properties (enthalpy (Δ<i>H</i>°), entropy (Δ<i>S</i>°), and
Gibbs energy (Δ<i>G</i>°) standard changes of
solutions) for CVD dissolved in (ethanol (1) + PG (2)) mixtures from
the solubility data. The solubility data of CVD in (ethanol (1) +
PG (2)) at different temperatures were correlated using different
mathematical models, i.e., the Jouyban–Acree model, a combination
of the Jouyban–Acree model with the van’t Hoff model,
and two modified versions of the Jouyban–Acree model. Solubility
data of seven drugs in (ethanol (1) + PG (2)) at different temperatures
were used to develop a quantitative structure–property relationship
model for predicting solubility in solvent mixtures. In addition,
enthalpy–entropy compensation using Δ<i>H</i>° vs Δ<i>G</i>° and Δ<i>H</i>° vs <i>T</i>ΔS° which explains the mechanism
of cosolvency at different temperatures was discussed
Composition and Temperature Dependence of Density, Surface Tension, and Viscosity of EMIM DEP/MMIM DMP + Water + 1‑Propanol/2-Propanol Ternary Mixtures and Their Mathematical Representation Using the Jouyban–Acree Model
Room
temperature ionic liquids (RTILs) have been ascribed as alternative
solvents in separation processes or chemical reactions. This research
is concerned with the study of density, ρ, viscosity, η,
and surface tension, σ, over the mole fractions of (0.1000 to
1.000) mol and temperature from (293.15 to 333.15) K for ternary mixtures
of 1-ethyl-3-methylimidazolium diethylphosphate (EMIM DEP)/1,3-dimethylimidazolium
dimethylphosphate (MMIM DMP), water, and 1-propanol/2-propanol. As
the temperature increased, surface tension and density results for
all the multicomponent mixtures show a linear descending trend. Adversely,
viscosity results indicate polynomial descending trend. At the whole
ranges of temperature, the density, surface tension and viscosity
data show a significant gap between mole fractions of ionic liquid.
These experimental results have been evaluated and the most prominent
polynomial or linear regressions were obtained. The most prominent
correlation for density and surface tension for all four systems were
obtained using a linear equation. In contrast, the best correlation
for viscosity data was obtained using a second order polynomial equation.
On the other view, the experimental density and surface tension data
decrease linearly with mole fraction of ionic liquid. The Jouyban–Acree
model was used to correlate the density, surface tension, and viscosity
of the studied mixtures at different temperatures. The accuracy of
the model was evaluated and the absolute percentage error (APER) for
each correlation was less than 6%
Au Nanostars Coated with a Thin Film of MIL-100 (Fe) for SERS-Based Sensing of Volatile Organic Compound Indicators in Saliva
Mortality of gastric cancer is the
second in cancer-associated
deaths due to the lack of specific symptoms at an early stage, and
thus, early detection of gastric cancer is receiving more attention.
Nowadays, volatile organic compound (VOC) indicators have been found
to be helpful for screening a variety of cancers. Meanwhile, hybrid
VOC indicators, namely, VOCs derived from both human breath and body
fluids, provide more information about health status. Nevertheless,
details of VOCs in body fluid (e.g. saliva) are still unclear and
tracking of these VOCs remains a challenge. In this research, 10 kinds
of VOCs released from the saliva were reported to be potential indicators
for gastric cancer prewarning. To track these potential indicators
with high specificity, a surface-enhanced Raman scattering (SERS)
sensor based on a thin layer of MIL-100 (Fe) shell-wrapped Au nanostars
(Au-star) was developed, and part of the aforementioned VOC indicators
(e.g., 2-butanone, eucalyptol, and isopropanol) were found to be selectively
detected by the sensor. These pilot results indicate a bright future
for the proposed strategy for disease screening and the design of
future high-performance SERS sensors