Solubility of Amlodipine Besylate (Calcium Channel Blocker Drug) in Supercritical Carbon Dioxide: Measurement and Correlations

Sodeifian, Gholamhossein; Garlapati, Chandrasekhar; Razmimanesh, Fariba; Sodeifian, Fatemeh

doi:10.1021/acs.jced.0c00913

Cited by 57 publications

(14 citation statements)

References 67 publications

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“…Computed properties of clemastine fumarate are shown in Table 3 . Figure 3 indicates the effect of pressure on various isotherms and no cross over region observed, such solubility behavior is observed for some other pharmaceutical compounds in our earlier studies 14 . From Table 3 , it is clear that the vapor pressure of clemastine fumarate increases from 0.0114 Pa to 0.1277 Pa, when the temperature is increased from 308 to 338 K, it is a 11.2 fold jump.…”

Section: Resultsmentioning

confidence: 53%

“…From preceding arguments we say that the pressure effect is less pronounced with respect to density than the temperature effect. This kind of nonlinearity is well captured with models having more parameters compared to less number of parameter 14 . Therefore, models proposed by Sodeifian et al model and Reddy–Garlapati model are able to correlate the solubility in a better manner.…”

Section: Resultsmentioning

confidence: 99%

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Measurement and modeling of clemastine fumarate (antihistamine drug) solubility in supercritical carbon dioxide

Sodeifian

Garlapati

Razmimanesh

et al. 2021

Sci Rep

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The solubilities of clemastine fumarate in supercritical carbon dioxide (ScCO2) were measured for the first time at temperature (308 to 338 K) and pressure (12 to 27 MPa). The measured solubilities were reported in terms of mole faction (mol/mol total) and it had a range from 1.61 × 10–6 to 9.41 × 10–6. Various models were used to correlate the data. The efficacy of the models was quantified with corrected Akaike’s information criterion (AICc). A new cluster salvation model was derived to correlate the solubility data. The new model was able to correlate the data and deviation was 10.3% in terms of average absolute relative deviation (AARD). Furthermore, the measured solubilities were also correlated with existing K.-W. Chen et al., model, equation of state model and a few other density models. Among density models, Reddy and Garlapati model was observed to be the best model and corresponding AARD was 7.57% (corresponding AICc was − 678.88). The temperature independent Peng–Robinson equation of state was able to correlate the data and AARD was 8.25% (corresponding AICc was − 674.88). Thermodynamic parameters like heats of reaction, sublimation and solvation of clemastine fumarate were calculated and reported.

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Section: Resultsmentioning

confidence: 53%

Section: Resultsmentioning

confidence: 99%

Measurement and modeling of clemastine fumarate (antihistamine drug) solubility in supercritical carbon dioxide

Sodeifian

Garlapati

Razmimanesh

et al. 2021

Sci Rep

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“…Fig. 3 indicates the effect of pressure on various isotherms and no cross over region observed, such solubility behavior is observed for some other pharmaceutical compounds in our earlier studies 23 . ) we get sublimation enthalpy of the clemastine fumarate.…”

Section: Resultsmentioning

confidence: 53%

“…Heat of solvation is obtained from the magnitude difference between total enthalpy and sublimation enthalpy. The more details about these calculations can be seen in literature 23,30,35 . All the computed results are reported in Table 7.…”

Section: Resultsmentioning

confidence: 99%

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Measurement and Modeling of Clemastine Fumarate (Antihistamine Drug) Solubility in Supercritical Carbon Dioxide

Sodeifian

Garlapati²,

Razmimanesh

et al. 2021

Preprint

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The solubilities of clemastine fumarate in supercritical carbon dioxide) ScCO2( were measured for the first time at temperature (308 to 338 K) and pressure (12 to 27 MPa). The measured solubilities were reported in terms of mole faction and it is ranged from 1.61 ×10− 6 to 9.41×10− 6. Various models were used to correlate the data. The efficacy of the models was quantified with corrected Akaike’s information criterion (AICc). A new cluster salvation model was derived to correlate the solubility data. The new model was able to correlate the data and deviation was 10.3% in terms of average absolute relative deviation (AARD). Furthermore, the measured solubilities were also correlated with existing K.-W. Chen et al., cluster salvation model, equation of state (EoS) model and few density models. Among density models, Tippana and Garlapati model was observed to be the best model and corresponding AARD% was 7.57 (corresponding AICc is -678.88). The Peng-Robinson equation of state as temperature independent was able to correlate the data and deviation was 8.25% in terms of AARD% (corresponding AICc is -674.88). Moreover, thermodynamic enthalpies of clemastine fumarate were estimated.

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A new hybrid quantitative structure property relationships‐support vector regression (QSPR‐SVR) approach for predicting the solubility of drug compounds in supercritical carbon dioxide

et al. 2023

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The purpose of this work was to compare the performance of 7 meta‐heuristics algorithms namely: Dragonfly (DA), Ant Lion (ALO), Grey Wolf (GWO), Artificial Bee Colony (ABC), Particle Swarm (PSO), Whale (WAO), and a hybrid Particle Swarm with Grey Wolf (HPSOGWO) optimizers in terms of fine‐tuning hyper‐parameters of a hybrid quantitative structure property relationships (QSPR)‐support vector regression (SVR) for the prediction of molar fraction solubilities of drug compounds in supercritical carbon dioxide (SC‐CO2). A dataset of 168 drug compounds, 13 inputs, and 4490 experimental data points was used to achieve the goal. All 7 models were statistically and graphically approved while the HPSOGWO‐SVR was found to over‐perform with an average absolute relative deviation (AARD) of 0.706% and an AIC of −14,434,249. The model was subjected to an external test (validation) using 160 experimental data points that were not used in the training and the test set. The overall results proved that the obtained model has good predictivity ability and robustness.

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Solubility of Amlodipine Besylate (Calcium Channel Blocker Drug) in Supercritical Carbon Dioxide: Measurement and Correlations

Cited by 57 publications

References 67 publications

Measurement and modeling of clemastine fumarate (antihistamine drug) solubility in supercritical carbon dioxide

Measurement and modeling of clemastine fumarate (antihistamine drug) solubility in supercritical carbon dioxide

Measurement and Modeling of Clemastine Fumarate (Antihistamine Drug) Solubility in Supercritical Carbon Dioxide

A new hybrid quantitative structure property relationships‐support vector regression (QSPR‐SVR) approach for predicting the solubility of drug compounds in supercritical carbon dioxide

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