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Modeling of disintegration and dissolution behavior of mefenamic acid formulation using numeric solution of Noyes-Whitney equation with cellular automata on microtomographic and algorithmically generated surfaces

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Manufacturing parameters can significantly influence the dissolution and disintegration of solid dosage forms. In alignment with Process Analytical Technology (PAT) and Quality by Design (QbD) approaches, computer-based technologies offer the potential to design, control, and enhance the quality and performance of pharmaceutical compacts. Addressing the limitations of computationally intensive finite-element or discrete-element methods, we present a modeling and simulation approach based on numerical solutions of the Noyes-Whitney equation coupled with a cellular automata-supported disintegration model. The release patterns calculated through in silico simulations were compared to in vitro release studies of mefenamic acid formulations. The results demonstrated a close resemblance between the release profiles obtained from our disintegration model and those observed experimentally. Additionally, virtual tablet structures generated algorithmically exhibited good agreement with microtomography experiments. In conclusion, this computational model proves to be a valuable tool for predicting the impact of material attributes and process parameters on drug release from tablets.
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Modeling of disintegration and dissolution behavior of mefenamic acid formulation using numeric solution of Noyes-Whitney equation with cellular automata on microtomographic and algorithmically generated surfaces
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