Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide

Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide Publisher Pubmed

Faress F¹ ; Yari A² ; Rajabi Kouchi F³ ; Safari Nezhad A⁴ ; Hadizadeh A^{5, 6} ; Sharif Bakhtiar L⁷ ; Naserzadeh Y⁸ ; Mahmoudi N⁸

Show Affiliations

1. Department of Business, Data Analysis, The University of Texas Rio Grande Valley (UTRGV), Edinburg, 78539, TX, United States
2. Faculty of Pharmacy, Isfahan University of Medical Sciences (IUMS), Isfahan, Iran
3. Micron School of Materials Science and Engineering, Boise State University, Boise, 83725, ID, United States
4. Faculty of Pharmacy, Bogomolets National Medical University, Kyiv, Ukraine
5. MD, School of Medicine, Tehran University of Medical Sciences, Tehran, Iran
6. Research Center for Advanced Technologies in Cardiovascular Medicine, Cardiovascular Diseases Research Center Institute, Tehran University of Medical Sciences, Tehran, Iran
7. Protein Research Center, Shahid Beheshti University, Tehran, Iran
8. Department of AgroBiotechnology, Peoples’ Friendship University of Russia (RUDN University), Moscow, 117198, Russian Federation

Source: Scientific Reports Published:2022

Abstract

This study introduces a universal correlation based on the modified version of the Arrhenius equation to estimate the solubility of anti-cancer drugs in supercritical carbon dioxide (CO2). A combination of an Arrhenius-shape term and a departure function was proposed to estimate the solubility of anti-cancer drugs in supercritical CO2. This modified Arrhenius correlation predicts the solubility of anti-cancer drugs in supercritical CO2 from pressure, temperature, and carbon dioxide density. The pre-exponential of the Arrhenius linearly relates to the temperature and carbon dioxide density, and its exponential term is an inverse function of pressure. Moreover, the departure function linearly correlates with the natural logarithm of the ratio of carbon dioxide density to the temperature. The reliability of the proposed correlation is validated using all literature data for solubility of anti-cancer drugs in supercritical CO2. Furthermore, the predictive performance of the modified Arrhenius correlation is compared with ten available empirical correlations in the literature. Our developed correlation presents the absolute average relative deviation (AARD) of 9.54% for predicting 316 experimental measurements. On the other hand, the most accurate correlation in the literature presents the AARD = 14.90% over the same database. Indeed, 56.2% accuracy improvement in the solubility prediction of the anti-cancer drugs in supercritical CO2 is the primary outcome of the current study. © 2022, The Author(s).

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Amirhossein Fathi (2)

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Style	Citing Format
MLA	Faress F, et al.. "Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide." Scientific Reports, vol. 12, no. 1, 2022, pp. -.
APA	Faress F, Yari A, Rajabi Kouchi F, Safari Nezhad A, Hadizadeh A, Sharif Bakhtiar L, Naserzadeh Y, Mahmoudi N (2022). Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide. Scientific Reports, 12(1), -.
Chicago	Faress F, Yari A, Rajabi Kouchi F, Safari Nezhad A, Hadizadeh A, Sharif Bakhtiar L, Naserzadeh Y, Mahmoudi N. "Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide." Scientific Reports 12, no. 1 (2022): -.
Harvard	Faress F et al. (2022) 'Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide', Scientific Reports, 12(1), pp. -.
Vancouver	Faress F, Yari A, Rajabi Kouchi F, Safari Nezhad A, Hadizadeh A, Sharif Bakhtiar L, et al.. Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide. Scientific Reports. 2022;12(1):-.
BibTex	@article{ author = {Faress F and Yari A and Rajabi Kouchi F and Safari Nezhad A and Hadizadeh A and Sharif Bakhtiar L and Naserzadeh Y and Mahmoudi N}, title = {Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide}, journal = {Scientific Reports}, volume = {12}, number = {1}, pages = {-}, year = {2022} }
RIS	TY - JOUR AU - Faress F AU - Yari A AU - Rajabi Kouchi F AU - Safari Nezhad A AU - Hadizadeh A AU - Sharif Bakhtiar L AU - Naserzadeh Y AU - Mahmoudi N TI - Developing an Accurate Empirical Correlation for Predicting Anti-Cancer Drugs’ Dissolution in Supercritical Carbon Dioxide JO - Scientific Reports VL - 12 IS - 1 SP - EP - PY - 2022 ER -

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