0000000000243454
AUTHOR
Raffaello Potestio
Tackling the Limitations of Copolymeric Small Interfering RNA Delivery Agents by a Combined Experimental–Computational Approach
Despite the first successful applications of nonviral delivery vectors for small interfering RNA in the treatment of illnesses, such as the respiratory syncytial virus infection, the preparation of a clinically suitable, safe, and efficient delivery system still remains a challenge. In this study, we tackle the drawbacks of the existing systems by a combined experimental-computational in-depth investigation of the influence of the polymer architecture over the binding and transfection efficiency. For that purpose, a library of diblock copolymers with a molar mass of 30 kDa and a narrow dispersity (Đ1.12) was synthesized. We studied in detail the impact of an altered block size and/or compos…
Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators.
Abstract Recent theoretical studies have demonstrated that the behaviour of molecular knots is a sensitive indicator of polymer structure. Here, we use knots to verify the ability of two state-of-the-art algorithms—configuration assembly and hierarchical backmapping—to equilibrate high-molecular-weight (MW) polymer melts. Specifically, we consider melts with MWs equivalent to several tens of entanglement lengths and various chain flexibilities, generated with both strategies. We compare their unknotting probability, unknotting length, knot spectra, and knot length distributions. The excellent agreement between the two independent methods with respect to knotting properties provides an addit…
Combined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide Nanoparticles
Thermal decomposition is a promising route for the synthesis of highly monodisperse magnetite nanoparticles. However, the apparent simplicity of the synthesis is counterbalanced by the complex interplay of the reagents with the reaction variables that determine the final particle size and dispersity. Here, we present a combined experimental and theoretical study on the influence of the heating rate on crystal growth, size, and monodispersity of iron oxide nanoparticles. We synthesized monodisperse nanoparticles with sizes varying from 6.3 to 27 nm simply by controlling the heating rate of the reaction. The nanoparticles show size-dependent superparamagnetic behavior. Using numerical calcula…