20.500.12556/RUL-147352 Analyte-driven clustering of bio-conjugated magnetic nanoparticles The dynamics of bio-conjugated magnetic nanoparticles suspended in buffer-saline solutions containing target proteins (i.e., analytes) is investigated numerically on a mesoscopic level. To simulate the dispersion of magnetic nanoparticles the dissipative particle dynamics is employed, which allows to study rather large systems, while still retaining important microscopic nanoparticle properties. In addition, the method is coupled to the Landau–Lifshitz–Gilbert equation, describing the dynamics of the magnetic nanocrystals within the macrospin approximation. The binding of multivalent analytes to the recognition ligands of the nanoparticles leads to the formation of clusters of magnetic nanoparticles, which in turn drastically changes the macroscopic magnetic response of the solution. Such colloidal changes are experimentally observable, allowing to explore new approaches to quantify the analyte amount. The ratio of the concentrations between the analytes (biomarkers) and the recognition ligands on the nanoparticles is found to play an important role in the formation and hydrodynamic size of the clusters. The proposed computational framework has great potential to be integrated with experimental efforts to advance the development of nanoparticle-based biosensors for disease diagnostics and other biomedical applications. biochemistry nanoparticles magnetic nanoparticles proteins biosensors clustering magnetic dynamics mesoscopic simulation nanomedicine biokemija ligandi biomarkerji biosenzorji nanodelci true false true Angleški jezik Slovenski jezik Članek v reviji 2023-07-03 09:45:32 2023-07-03 09:45:32 2023-07-04 03:34:57 0000-00-00 00:00:00 2023 0 0 14 str. iss. 5, art. 2200796 Vol. 6 2023 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 577 2513-0390 10.1002/adts.202200796 145265667 Advcd_Theory_and_Sims_-_2023_-_Potisk_-_Analyte‐Driven_Clustering_of_Bio‐Conjugated_Magnetic_Nanoparticles_(1).pdf Advcd_Theory_and_Sims_-_2023_-_Potisk_-_Analyte‐Driven_Clustering_of_Bio‐Conjugated_Magnetic_Nanoparticles_(1).pdf 1 074F63C837EDCB4033BA86C842BE82C8 ded651c4e6dadbb7bf4ea506f4a8cfeb9674a99f2a671c750866f628a3d57fde b964db3a-1976-11ee-a314-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=170889 https://onlinelibrary.wiley.com/doi/10.1002/adts.202200796 1 2f716aa8-1975-11ee-a314-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=170888 Fakulteta za matematiko in fiziko 0 0 0