Supporting Data for Self-Assembly of Unusually Stable Thermotropic Network Phases by Cellobiose-Based Guerbet Glycolipids

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2021-09-01
2023-07-30

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2023-10-30

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Supporting Data for Self-Assembly of Unusually Stable Thermotropic Network Phases by Cellobiose-Based Guerbet Glycolipids

Published Date

2024-04-08

Author Contact

Reineke, Theresa M
treineke@umn.edu

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Experimental Data
Observational Data
Simulation Data

Abstract

These files contain data along with associated output from instrumentation supporting all results reported in the referenced paper. Bicontinuous thermotropic liquid crystal (LC) materials, such as double gyroid (DG) phases, are highly promising for various applications due to their intricate 3D network structures. However, the lack of robust molecular design rules for shape-filling amphiphiles hinders their utility. To address this, we synthesized cellobiose-based glycolipids with Guerbet-type branched alkyl tails and examined their thermotropic LC self-assembly. Through techniques including differential scanning calorimetry (DSC), polarized optical microscopy (POM), and small-angle X-ray scattering (SAXS), we found that Guerbet cellobiosides have a strong propensity to form DG morphology across broad thermotropic phase ranges. The stability of these assemblies depends on the alkyl tail structure and anomeric configuration of the glycolipid in a previously unrecognized manner. Molecular simulations provide further insights, revealing molecular motifs crucial for network phase self-assembly, paving the way for future designs and applications of network LC materials.

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The data folder comprises all the data pertaining to the figures in the article and supplementary information (SI), encompassing nuclear magnetic resonance (NMR), small-angle X-ray scattering (SAXS), differential scanning calorimetry (DSC), Polarizing optical microscopy (POM), and Molecular Dynamics (MD) simulation data. It also includes plot details. Please refer to the readme.txt file for additional information.

Referenced by

S. Das, C. Zheng, T. P. Lodge, J. I. Siepmann, M. K. Mahanthappa, M. A. Calabrese, T. M. Reineke, Biomacromolecules 2024, 25, 2, 1291-1302.
https://doi.org/10.1021/acs.biomac.3c01266

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This work was supported primarily by the U.S. National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-2011401. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility, operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. SAXS experiments were carried out at Sector 5 and Sector 12 of the Advanced Photon Source. The Sector 5 DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) was supported by E.I. DuPont de Nemours & Co., the Dow Chemical Company, and Northwestern University

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Das, Soumi; Zheng, Caini; Calabrese, Michelle A; Reineke, Theresa M; Siepmann, Ilja J; Mahanthappa, Mahesh K; Lodge, Timothy P. (2024). Supporting Data for Self-Assembly of Unusually Stable Thermotropic Network Phases by Cellobiose-Based Guerbet Glycolipids. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/3m8x-1c14.

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