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Data and Code for "Cholesterol Modulates Membrane Elasticity via Unified Biophysical Laws"

dataset
posted on 2025-06-27, 21:11 authored by Rana AshkarRana Ashkar

This data set contains data collected on lipid membranes consisting of phosphocholine lipids with varying amounts of cholesterol. The data files include:

  1. Neutron-spin echo (NSE) spectroscopy data on unilamellar vesicles for dynamic measurements of membrane bending fluctuations used to obtain the reported bending moduli.
  2. Small-angle X-ray scattering (SAXS) data on unilamellar vesicles for measurements of structural membrane parameters used to obtain membrane thickness and lipid packing density.
  3. Small-angle neutron scattering (SANS) data on unilamellar vesicles for measurements of structural membrane parameters used to obtain membrane thickness and lipid packing density.
  4. Solid-state deuterium nuclear magnetic resonance (2H NMR) data on multilamellar lipid stacks for static measurements of the order parameter and dynamic measurements of the relaxation rates.
  5. Trajectories for all-atom molecular dynamics (MD) simulations on all bilayers reported in this study (links to Zenodo repositories).
  6. Code (.c and .py files) applied in fitting SAXS and SANS data in the form of a five-shell vesicle model (to be used as a plug-in model in the SasView data fitting package SasView 5.0.6), along with installation and data fitting instructions.
  7. Code (.fdf file) applied in fitting the decays for NSE bending fluctuation spectra (to be used as a fitting function in Origin, Origin 2021b), along with installation and data fitting instructions.
  8. Code (.m files) applied in processing and analyzing solid-state 2H NMR data (to be used as MATLAB scripts, MATLAB 2021a), along with installation and run instructions.


Funding

Collaborative Research: Emergent Dynamics and Scaling Laws in Bioinspired Lipid Membranes

Directorate for Mathematical & Physical Sciences

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Collaborative Research: Emergent Dynamics and Scaling Laws in Bioinspired Lipid Membranes

Directorate for Mathematical & Physical Sciences

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MEMBRANE BASIS OF VISUAL EXCITATION

National Eye Institute

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Essential Role of Water and Lipids in G-Protein-Coupled Receptor Chemistry

Directorate for Mathematical & Physical Sciences

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EAGER: Topographically Induced Lateral Organization in Biomimetic Lipid Membranes

Directorate for Biological Sciences

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Light-Induced Protein Quake of Visual Rhodopsin Investigated by Femtosecond Time-Resolved X-Ray Scattering

Directorate for Biological Sciences

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History

Publisher

University Libraries, Virginia Tech

Corresponding Author Name

Rana Ashkar (Virginia Tech) Teshani Kumarage (Virginia Tech) Milka Doktorova (Stockholm University) Michael Brown (University of Arizona)

Corresponding Author E-mail Address

ashkar@vt.edu

Files/Folders in Dataset and Description

NSE data [Excel File] -- contains all NSE data as S(Q,t)/S(Q,0) vs. Fourier time t, as well as the relaxation rates Γ(Q) vs. Q^3 and associated error. SANS data [Excel File] -- contains all SANS data as I(Q) vs. Q and associated error. SAXS data [Excel File] -- contains all SAXS data as I(Q) vs. Q and associated error. NMR data [Excel File] -- contains all 2H NMR data as relaxation rates vs. squared order parameter. Links to MD Simulation Trajectories [PDF] -- contains links to Zenodo repositories of simulation trajectories. NSE Data Fitting Folder [ZIP File] -- contains the code used in fitting the NSE bending fluctuation spectra, in the form of an FDF Origin File, to be used as detailed in the accompanying instructions [PDF File]. SAXS-SANS Data Fitting Folder [ZIP File] -- contains the code used in the analysis of the SAXS/SANS data, in the form of a Five_Shell_Vesicle_Model with Python and C scripts, to be used as detailed in the accompanying instructions [PDF File]. NMR Data Processing and Fitting Folder [ZIP File] -- contains MATLAB scripts in the form M Files for processing and analyzing solid-state 2H NMR data, to be used as detailed in the accompanying instructions [PDF File]. license.txt - MIT license covering software files included with this dataset.

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