Regioregularity controlled phase behavior for Poly(3-hexylthiophene): A combined study of simple coarse-grained simulation and experiment
Sign Up to like & getrecommendations! Published in 2019 at "Polymer"
DOI: 10.1016/j.polymer.2019.121569
Abstract: Abstract In this study, we developed a simple coarse-grained simulation model framework to investigate the effect of regioregularity (RR) on the crystallization behavior of poly(3-hexylthiophene) (P3HT). To describe the regio-chemistry of P3HT, two different coarse-grained… read more here.
Keywords: poly hexylthiophene; simple coarse; grained simulation; behavior poly ... See more keywords
Coarse-grained simulation of molecular ordering in polylactic blends under uniaxial strain
Sign Up to like & getrecommendations! Published in 2020 at "Polymer"
DOI: 10.1016/j.polymer.2020.122232
Abstract: Abstract The coarse-grained model of polylactic acid (PLA) has been refined for applicability within an extended temperature range and used to investigate the mechanical and structural properties of uniaxially strained pure PLA and its blends… read more here.
Keywords: simulation molecular; pla; coarse; coarse grained ... See more keywords
Coarse-Grained Simulation of mRNA-Loaded Lipid Nanoparticle Self-Assembly.
Sign Up to like & getrecommendations! Published in 2024 at "Molecular pharmaceutics"
DOI: 10.1021/acs.molpharmaceut.4c00216
Abstract: Ionizable lipid-containing lipid nanoparticles (LNPs) have enabled the delivery of RNA for a range of therapeutic applications. In order to optimize safe, targeted, and effective LNP-based RNA delivery platforms, an understanding of the role of… read more here.
Keywords: mrna loaded; coarse grained; grained simulation; simulation mrna ... See more keywords
Coarse-Grained Simulation of Mechanical Properties of Single Microtubules With Micrometer Length
Sign Up to like & getrecommendations! Published in 2020 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2020.632122
Abstract: Microtubules are one of the most important components in the cytoskeleton and play a vital role in maintaining the shape and function of cells. Because single microtubules are some micrometers long, it is difficult to… read more here.
Keywords: single microtubules; model; mechanical properties; coarse grained ... See more keywords