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Ma, Hui; Ramanujam, Aiswarya_A; Linnes, Jacqueline_C; Kinzer-Ursem, Tamara_L (, Analytical Chemistry)
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Ma, Hui; Wereley, Steven_T; Linnes, Jacqueline_C; Kinzer-Ursem, Tamara_L (, Physics of Fluids)This work presents a straightforward computational method to estimate the rotational diffusion coefficient (Dr) of cells and particles of various sizes using the continuum fluid mechanics theory. We calculate the torque (Γ) for cells and particles immersed in fluids to find the mobility coefficient μ and then obtain the Dr by substituting Γ in the Einstein relation. Geometries are constructed using triangular mesh, and the model is solved with computational fluid dynamics techniques. This method is less intensive and more efficient than the widely used models. We simulate eight different particle geometries and compare the results with previous literature.more » « less
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Giolando, Patrick_A; Hopkins, Kelsey; Davis, Barrett_F; Vike, Nicole; Ahmadzadegan, Adib; Ardekani, Arezoo_M; Vlachos, Pavlos_P; Rispoli, Joseph_V; Solorio, Luis; Kinzer‐Ursem, Tamara_L (, Advanced Materials)Abstract Implantable, bioresorbable drug delivery systems offer an alternative to current drug administration techniques; allowing for patient‐tailored drug dosage, while also increasing patient compliance. Mechanistic mathematical modeling allows for the acceleration of the design of the release systems, and for prediction of physical anomalies that are not intuitive and may otherwise elude discovery. This study investigates short‐term drug release as a function of water‐mediated polymer phase inversion into a solid depot within hours to days, as well as long‐term hydrolysis‐mediated degradation and erosion of the implant over the next few weeks. Finite difference methods are used to model spatial and temporal changes in polymer phase inversion, solidification, and hydrolysis. Modeling reveals the impact of non‐uniform drug distribution, production and transport of H+ions, and localized polymer degradation on the diffusion of water, drug, and hydrolyzed polymer byproducts. Compared to experimental data, the computational model accurately predicts the drug release during the solidification of implants over days and drug release profiles over weeks from microspheres and implants. This work offers new insight into the impact of various parameters on drug release profiles, and is a new tool to accelerate the design process for release systems to meet a patient specific clinical need.more » « less
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