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Modeling of adhesion in tablet compression--I. Atomic force microscopy and molecular simulation
Jennifer J Wang1, Tonglei Li, Simon D Bateman
1Department of Industrial & Physical Pharmacy, Purdue University, West Lafayette, Indiana 47907, USA.
Journal of Pharmaceutical Sciences
|March 28, 2003
Summary
Predicting tablet adhesion early is crucial. This study used atomic force microscopy (AFM) and molecular simulations to rank drug-surface interactions, identifying formulations prone to sticking during manufacturing.
Area of Science:
- Pharmaceutical Sciences
- Materials Science
- Surface Chemistry
Background:
- Tablet manufacturing adhesion issues often arise late in development.
- Predicting adhesion potential early can save time and resources.
- Intermolecular interactions between drug and punch surfaces are hypothesized to initiate adhesion.
Purpose of the Study:
- To investigate the adhesion phenomenon between drug molecules and metal surfaces.
- To develop an early prediction method for tablet manufacturing adhesion problems.
- To correlate intermolecular interaction energies with observed adhesion during compression.
Main Methods:
- Utilized molecular simulations and contact mode atomic force microscopy (AFM).
- Employed iron-coated silicon nitride AFM tips and recrystallized profen surfaces.
- Measured work of adhesion in vacuum between iron and ibuprofen, ketoprofen, and flurbiprofen.
Main Results:
- Determined work of adhesion values: ketoprofen (-2469.3 mJ/m²), ibuprofen (-184.1 mJ/m²), and flurbiprofen (-17.3 mJ/m²).
- Established a rank order of adhesion: ketoprofen > ibuprofen > flurbiprofen.
- Molecular simulations agreed with AFM measurements regarding drug-metal interactions.
Conclusions:
- Atomic Force Microscopy (AFM) is effective for studying drug-metal adhesion.
- The study provides insights into tablet compression adhesion problems.
- Early prediction of adhesion potential is feasible through interaction energy analysis.