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

Gholamhossein Sodeifian,Chandrasekhar Garlapati,Fariba Razmimanesh,Marziehsadat Ghanaat-Ghamsari

doi:10.1038/s41598-021-03596-y

Gholamhossein Sodeifian, Chandrasekhar Garlapati + Show 2 more

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https://doi.org/10.1038/s41598-021-03596-y

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Abstract

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.

Highlights

A1–A3 Alwi–Garlapati parameters B1–B3 Bartel model parameters D1–D5 Bian et al, model parameters E1–E2 Chrastil model parameters F1–F2 Reformulated Chrastil model parameters G1–G5 Garlapati–Madras model parameters H1–H3 Mendez–Teja model parameters I1–I6 Sodefian et al, model parameters J1–J6 Tippana–Garlapati model parameters K1–K3 Mahesh–Garlapati model parameters average absolute relative deviation (AARD) Average absolute relative deviation
The application of carbon dioxide as supercritical fluid solvent has several advantages over conventional s olvents[2] and it is designated as S cCO2
Thereby, in the second stage we have developed a new cluster solubility model

Summary

Introduction

A1–A3 Alwi–Garlapati parameters B1–B3 Bartel model parameters D1–D5 Bian et al, model parameters E1–E2 Chrastil model parameters F1–F2 Reformulated Chrastil model parameters G1–G5 Garlapati–Madras model parameters H1–H3 Mendez–Teja model parameters I1–I6 Sodefian et al, model parameters J1–J6 Tippana–Garlapati model parameters K1–K3 Mahesh–Garlapati model parameters AARD Average absolute relative deviation. The application of carbon dioxide as supercritical fluid solvent has several advantages over conventional s olvents[2] and it is designated as S cCO2. It possesses attractive physical properties such as, gas like diffusivity and liquid like density with low viscosity and surface tension[2,3]. By adjusting pressures and temperatures, one can tune the density of ScCO2 as desired and it is exploited in various applications. Drug particle micronization requires precise solubility information and in literature, solubility of many solid drugs[9,10] in ScCO2 is readily available, the solubility of clemastine fumarate is not reported. Few density models and equation of state model are evaluated

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