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Studying Surfactant Effects on Hydrate Crystallization at Oil-Water Interfaces Using a Low-Cost Integrated Modular Peltier Device

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Solvent-solute interactions in hydrofluoroalkane propellants.

Robson P S Peguin¹, Sandro R P da Rocha

¹Department of Chemical Engineering and Materials Science, Wayne State University, 5050 Anthony Wayne Drive, Detroit, MI 48202, USA.

The Journal of Physical Chemistry. B

|July 5, 2008

Summary

Understanding hydrofluoroalkane (HFA) propellant interactions is key for inhaler formulations. Increased fragment polarity and oxygen atom accessibility enhance HFA-phile stabilization in metered-dose inhalers.

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Published on: January 7, 2019

Area of Science:

Pharmaceutical Science
Computational Chemistry
Materials Science

Background:

Pressurized metered-dose inhalers (pMDIs) are crucial for delivering drugs to the lungs.
Hydrofluoroalkane (HFA) propellants are widely used in pMDIs for both small molecules and biomolecules.
Optimizing HFA propellant solvation is vital for developing advanced pMDI formulations.

Purpose of the Study:

To investigate the interactions between HFA propellants and potential HFA-philes.
To understand the role of fragment polarity and oxygen atom accessibility in solvation.
To guide the design of novel HFA-philes for improved pMDI performance.

Main Methods:

Binding energy calculations (Eb) were employed to quantify interactions.
Candidate HFA-philes included isohexane (ISO), poly(ethylene oxide) (EO), poly(propylene oxide) (PO), and poly(lactide) (LA) fragments.
Solvation forces of HFA134a and HFA227 propellants were analyzed.

Main Results:

Increased tail polarity, due to oxygen atoms, enhances stabilization energy of HFA-HFA-phile complexes.
HFA227 showed significantly more favorable interaction with LA (Eb = -24.7 kJ/mol) than ISO (Eb = -10.0 kJ/mol).
Oxygen atom accessibility is crucial; LA offers better accessibility than PO, impacting stabilization energy.

Conclusions:

Fragment polarity and oxygen atom accessibility are key factors in HFA propellant solvation.
The findings provide a framework for designing effective HFA-philes for pMDI formulations.
This research aids in developing more stable and efficient HFA-based pMDIs for drug delivery.