title: 3D Multi-agent models for protein release from PLGA spherical particles with complex inner morphologies.
abstract: In order to better understand and predict the release of proteins from bioerodible microspheres or nanospheres, it is important to know the influences of different initial factors on the release mechanisms, though often it is difficult to assess what exactly is at the origin of a certain dissolution profile. We propose here a new class of fine-grained multi-agent models built to incorporate increasing complexity, permitting the exploration of the role of different parameters, especially that of the internal morphology of the spheres, in the exhibited release profile. This approach, based on Monte Carlo (MC) and cellular automata (CA) techniques, has permitted the testing of various assumptions and hypotheses about several experimental systems of nanospheres encapsulating proteins. Results have confirmed that this modelling approach has increased the resolution over the complexity involved, opening promising perspectives for future developments, especially complementing in vitro experimentation.
authors.affiliation: Dublin City University, Dublin, 9, Ireland. abarat@computing.dcu.ie
authors.forename: Ana
authors.initials: A
authors.lastname: Barat
authors.forename: Heather J
authors.initials: HJ
authors.lastname: Ruskin
authors.forename: Martin
authors.initials: M
authors.lastname: Crane
mesh_terms: D003198:Computer Simulation; D004058:Diffusion; D004337:Drug Carriers / Q000737:chemistry*; D021621:Imaging, Three-Dimensional / Q000379:methods*; D019344:Lactic Acid / Q000737:chemistry*; D008863:Microspheres; D008956:Models, Chemical; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D010316:Particle Size; D011100:Polyglycolic Acid / Q000737:chemistry*; D000077182:Polylactic Acid-Polyglycolic Acid Copolymer; D011506:Proteins / Q000737:chemistry*
chemical_list: D004337:Drug Carriers; D011506:Proteins; D000077182:Polylactic Acid-Polyglycolic Acid Copolymer; D011100:Polyglycolic Acid; D019344:Lactic Acid