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Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

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Probing interfaces between pharmaceutical crystals and polymers by neutron reflectometry.

John D Yeager¹, Kyle J Ramos, Changquan C Sun

¹Shock and Detonation Physics, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.

Molecular Pharmaceutics

|June 6, 2012

Summary

Characterizing pharmaceutical interfaces is key for drug performance. Ellipsometry and neutron reflectometry revealed solvent, not polymer type, significantly impacts interfacial structure and drug properties.

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Area of Science:

Materials Science
Pharmaceutical Science
Surface Chemistry

Background:

Pharmaceutical powder engineering relies on drug-polymer interfaces, crucial for composite properties.
Understanding these interfacial structures is limited by current characterization methods.

Purpose of the Study:

To detail the interfacial structure between drug particles and polymers.
To investigate the influence of polymer type and solvent on interfacial structure.

Main Methods:

Utilized ellipsometry for rapid layer and thickness estimation.
Employed neutron reflectometry for in-depth analysis of density, thickness, roughness, and intermixing.
Combined data to build accurate interfacial structure models.

Main Results:

Ellipsometry provided quick estimates of layer number and thickness.
Neutron reflectometry yielded detailed structural data including density, roughness, and intermixing.
The solvent used in polymer coating significantly affected interfacial structure, while polymer type had a minor effect.

Conclusions:

Combined ellipsometry and neutron reflectometry enable precise characterization of drug-polymer interfaces.
Solvent choice is critical for controlling interfacial chemistry and engineering particle properties.
Findings offer insights for optimizing drug-delivery systems through interfacial control.