NSF PAR Search | NSF Public Access Repository

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

Fully atomistic molecular dynamics modeling of photoswitchable azo-PC lipid bilayers: structure, mechanical properties, and drug permeation

https://doi.org/10.1039/d4nr02509a

Alberto, Kevin A; Hasna_Begam, M N; Xiong, Hejian; Shinoda, Wataru; Slesinger, Paul A; Qin, Zhenpeng; Nielsen, Steven O (January 2025, Nanoscale)

A phenol molecule is shown at its free energy minimum in atransazo-PC lipid bilayer, where it interacts with the azobenzene groups that are incorporated into one of the two phosphatidylcholine lipid tails.
more » « less
Free, publicly-accessible full text available January 23, 2026
Self-Assembly of Glycerol-Amphiphilic Janus Dendrimers Amplifies and Indicates Principles for the Selection of Stereochemistry by Biological Membranes

https://doi.org/10.1021/jacs.3c00389

Zhang, Dapeng; Xiao, Qi; Rahimzadeh, Mehrnoush; Liu, Matthew; Rodriguez-Emmenegger, Cesar; Miyazaki, Yusuke; Shinoda, Wataru; Percec, Virgil (February 2023, Journal of the American Chemical Society)

Full Text Available
Domain Formation in Charged Polymer Vesicles

https://doi.org/10.1021/acs.macromol.1c00762

Chakraborty, Kaushik; Khatua, Prabir; Shinoda, Wataru; Loverde, Sharon M. (January 2021, Macromolecules)

Full Text Available
Molecular simulation of the shape deformation of a polymersome

https://doi.org/10.1039/C9SM02165E

Chakraborty, Kaushik; Shinoda, Wataru; Loverde, Sharon M. (April 2020, Soft Matter)

Vesicles composed of diblock copolymers, or polymersomes, have proven to possess numerous applications ranging from drug delivery to catalytically driven nano-motors. The shape of a polymersome can be responsive to external stimuli, such as light or solvent. Molecular dynamics simulations reveal that the shape change upon the contraction of the inner volume of a polymersome vesicle occurs in two separate regimes—a stretching regime and a bending regime. The barrier is shown to be dependent on the solvent environment. These results suggest that tailoring the bending modulus of polymer membranes can be used as a design methodology to engineer new stimuli-responsive vesicles.
more » « less
Full Text Available

Search for: All records