Comparative assessment of in vitro and in silico methods for aerodynamic characterization of powders for inhalation
Authors
Ignjatović, Jelisaveta
Šušteršič, Tijana
Bodić, Aleksandar

Cvijić, Sandra

Ðuriš, Jelena
Rossi, Alessandra
Dobričić, Vladimir

Ibrić, Svetlana

Filipović, Nenad

Article (Published version)
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In vitro assessment of dry powders for inhalation (DPIs) aerodynamic performance is an inevitable test in DPI development. However, contemporary trends in drug development also implicate the use of in silico methods, e.g., computational fluid dynamics (CFD) coupled with discrete phase modeling (DPM). The aim of this study was to compare the designed CFD-DPM outcomes with the results of three in vitro methods for aerodynamic assessment of solid lipid microparticle DPIs. The model was able to simulate particle-to-wall sticking and estimate fractions of particles that stick or bounce off the inhaler’s wall; however, we observed notable differences between the in silico and in vitro results. The predicted emitted fractions (EFs) were comparable to the in vitro determined EFs, whereas the predicted fine particle fractions (FPFs) were generally lower than the corresponding in vitro values. In addition, CFD-DPM predicted higher mass median aerodynamic diameter (MMAD) in comparison to the in v...itro values. The outcomes of different in vitro methods also diverged, implying that these methods are not interchangeable. Overall, our results support the utility of CFD-DPM in the DPI development, but highlight the need for additional improvements in these models to capture all the key processes influencing aerodynamic performance of specific DPIs.
Keywords:
Solid lipid microparticles / Aerodynamic performance / Computational fluid dynamics (CFD) / Discrete phase modeling (DPM) / Dry powders for inhalation (DPIs)Source:
Pharmaceutics, 2021, 13, 11Publisher:
- MDPI
Funding / projects:
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200161 (University of Belgrade, Faculty of Pharmacy) (RS-200161)
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200107 (University of Kragujevac, Faculty of Engineering) (RS-200107)
- European Union’s Horizon 2020
DOI: 10.3390/pharmaceutics13111831
ISSN: 1999-4923
WoS: 000725166900001
Scopus: 2-s2.0-85118768767
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PharmacyTY - JOUR AU - Ignjatović, Jelisaveta AU - Šušteršič, Tijana AU - Bodić, Aleksandar AU - Cvijić, Sandra AU - Ðuriš, Jelena AU - Rossi, Alessandra AU - Dobričić, Vladimir AU - Ibrić, Svetlana AU - Filipović, Nenad PY - 2021 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3993 AB - In vitro assessment of dry powders for inhalation (DPIs) aerodynamic performance is an inevitable test in DPI development. However, contemporary trends in drug development also implicate the use of in silico methods, e.g., computational fluid dynamics (CFD) coupled with discrete phase modeling (DPM). The aim of this study was to compare the designed CFD-DPM outcomes with the results of three in vitro methods for aerodynamic assessment of solid lipid microparticle DPIs. The model was able to simulate particle-to-wall sticking and estimate fractions of particles that stick or bounce off the inhaler’s wall; however, we observed notable differences between the in silico and in vitro results. The predicted emitted fractions (EFs) were comparable to the in vitro determined EFs, whereas the predicted fine particle fractions (FPFs) were generally lower than the corresponding in vitro values. In addition, CFD-DPM predicted higher mass median aerodynamic diameter (MMAD) in comparison to the in vitro values. The outcomes of different in vitro methods also diverged, implying that these methods are not interchangeable. Overall, our results support the utility of CFD-DPM in the DPI development, but highlight the need for additional improvements in these models to capture all the key processes influencing aerodynamic performance of specific DPIs. PB - MDPI T2 - Pharmaceutics T1 - Comparative assessment of in vitro and in silico methods for aerodynamic characterization of powders for inhalation VL - 13 IS - 11 DO - 10.3390/pharmaceutics13111831 ER -
@article{ author = "Ignjatović, Jelisaveta and Šušteršič, Tijana and Bodić, Aleksandar and Cvijić, Sandra and Ðuriš, Jelena and Rossi, Alessandra and Dobričić, Vladimir and Ibrić, Svetlana and Filipović, Nenad", year = "2021", abstract = "In vitro assessment of dry powders for inhalation (DPIs) aerodynamic performance is an inevitable test in DPI development. However, contemporary trends in drug development also implicate the use of in silico methods, e.g., computational fluid dynamics (CFD) coupled with discrete phase modeling (DPM). The aim of this study was to compare the designed CFD-DPM outcomes with the results of three in vitro methods for aerodynamic assessment of solid lipid microparticle DPIs. The model was able to simulate particle-to-wall sticking and estimate fractions of particles that stick or bounce off the inhaler’s wall; however, we observed notable differences between the in silico and in vitro results. The predicted emitted fractions (EFs) were comparable to the in vitro determined EFs, whereas the predicted fine particle fractions (FPFs) were generally lower than the corresponding in vitro values. In addition, CFD-DPM predicted higher mass median aerodynamic diameter (MMAD) in comparison to the in vitro values. The outcomes of different in vitro methods also diverged, implying that these methods are not interchangeable. Overall, our results support the utility of CFD-DPM in the DPI development, but highlight the need for additional improvements in these models to capture all the key processes influencing aerodynamic performance of specific DPIs.", publisher = "MDPI", journal = "Pharmaceutics", title = "Comparative assessment of in vitro and in silico methods for aerodynamic characterization of powders for inhalation", volume = "13", number = "11", doi = "10.3390/pharmaceutics13111831" }
Ignjatović, J., Šušteršič, T., Bodić, A., Cvijić, S., Ðuriš, J., Rossi, A., Dobričić, V., Ibrić, S.,& Filipović, N.. (2021). Comparative assessment of in vitro and in silico methods for aerodynamic characterization of powders for inhalation. in Pharmaceutics MDPI., 13(11). https://doi.org/10.3390/pharmaceutics13111831
Ignjatović J, Šušteršič T, Bodić A, Cvijić S, Ðuriš J, Rossi A, Dobričić V, Ibrić S, Filipović N. Comparative assessment of in vitro and in silico methods for aerodynamic characterization of powders for inhalation. in Pharmaceutics. 2021;13(11). doi:10.3390/pharmaceutics13111831 .
Ignjatović, Jelisaveta, Šušteršič, Tijana, Bodić, Aleksandar, Cvijić, Sandra, Ðuriš, Jelena, Rossi, Alessandra, Dobričić, Vladimir, Ibrić, Svetlana, Filipović, Nenad, "Comparative assessment of in vitro and in silico methods for aerodynamic characterization of powders for inhalation" in Pharmaceutics, 13, no. 11 (2021), https://doi.org/10.3390/pharmaceutics13111831 . .