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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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A phase transition is the process in which a substance changes from one state of matter to another, like from a solid to a liquid, liquid to gas, or vice versa, at a specific temperature and under given pressure conditions. This change is spontaneous and is affected by alterations in temperature and pressure. These parameters impact the strength of the forces between molecules (intermolecular forces) in the substance.During a phase transition, both the initial and final phases of the substance...
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The temperature-composition phase diagram of two solids, A and B, which are immiscible in the solid phase but form miscible liquids, shows that when the temperature is low, these two exist as separate, pure solids (A and B). As the temperature increases, they transition into a single-phase liquid solution where A and B coexist. Moving from point a1 to a2 in the phase diagram, the composition changes such that solid B begins to separate from the solution, enriching the remaining liquid with A.
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Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
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Thermodynamic phase behavior of API/polymer solid dispersions.

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This study shows that the PC-SAFT model accurately predicts the phase behavior of solid dispersions, simplifying the selection of drug/polymer combinations for improved drug bioavailability.

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Area of Science:

  • Materials Science
  • Pharmaceutical Sciences
  • Computational Chemistry

Background:

  • Poorly soluble active pharmaceutical ingredients (APIs) require formulation strategies to enhance bioavailability.
  • Solid dispersions, where APIs are integrated into a polymer matrix, are a common approach.
  • Understanding the phase behavior of these solid dispersions is crucial for formulation development.

Purpose of the Study:

  • To investigate the phase behaviors of solid dispersions.
  • To evaluate the predictive capability of the perturbed-chain statistical associating fluid theory (PC-SAFT) model for API/polymer systems.
  • To simplify the screening process for optimal API/polymer combinations.

Main Methods:

  • Experimental measurement of artemisinin and indomethacin solubility in various poly(ethylene glycol)s (PEG) with different molecular weights.
  • Measurement of sulfonamide solubility in poly(vinylpyrrolidone) (PVP) K10 and PEG 35000.
  • Modeling of experimental solubility data using the PC-SAFT equation of state.

Main Results:

  • PC-SAFT model predictions showed good agreement with experimental solubility data for artemisinin and indomethacin in PEGs.
  • The model also accurately predicted sulfonamide solubility in PVP K10 and PEG 35000.
  • PC-SAFT successfully predicted the phase diagrams of API/polymer solid dispersions.

Conclusions:

  • The PC-SAFT model is a reliable tool for predicting the phase behavior of API/polymer solid dispersions.
  • This predictive capability significantly simplifies the screening of suitable API/polymer combinations.
  • The study highlights the potential of PC-SAFT in optimizing drug formulation for enhanced bioavailability.