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

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DataCite Commons2025-07-24 更新2026-05-07 收录
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https://data.lib.vt.edu/articles/dataset/Data_and_Code_for_Cholesterol_Modulates_Membrane_Elasticity_via_Unified_Biophysical_Laws_/27118998
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This data set contains data collected on lipid membranes consisting of phosphocholine lipids with varying amounts of cholesterol. The data files include:Neutron-spin echo (NSE) spectroscopy data on unilamellar vesicles for dynamic measurements of membrane bending fluctuations used to obtain the reported bending moduli.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.Small-angle neutron scattering (SANS) data on unilamellar vesicles for measurements of structural membrane parameters used to obtain membrane thickness and lipid packing density.Solid-state deuterium nuclear magnetic resonance (<sup>2</sup>H NMR) data on multilamellar lipid stacks for static measurements of the order parameter and dynamic measurements of the relaxation rates.Trajectories for all-atom molecular dynamics (MD) simulations on all bilayers reported in this study (links to Zenodo repositories).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.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.Code (.m files) applied in processing and analyzing solid-state <sup>2</sup>H NMR data (to be used as MATLAB scripts, MATLAB 2021a), along with installation and run instructions.This dataset is supplement to the article "Cholesterol Modulates Membrane Elasticity via Unified Biophysical Laws" published by the Nature Communications journal DOI: https://doi.org/10.1038/s41467-025-62106-0 by the following authors: Kumarage, Teshani; Gupta, Sudipta; Morris, Nicholas B.; Doole, Fathima T.; Scott, Haden L.; Stingaciu; Laura-Roxana; Pingali, Sai Venkatesh; Katsaras, John; Khelashvili, George; Doktorova, Milka; Brown, Michael; Ashkar, Rana

本数据集包含针对由不同胆固醇含量的磷酸胆碱脂质构成的脂质膜所采集的全部数据。所包含的数据文件如下: 1. 中子自旋回波(Neutron-spin echo, NSE)光谱数据:针对单层囊泡的膜弯曲涨落动态测量数据,用于获取本研究报道的弯曲模量。 2. 小角X射线散射(Small-angle X-ray scattering, SAXS)数据:针对单层囊泡的膜结构参数测量数据,用于获取膜厚度与脂质堆积密度。 3. 小角中子散射(Small-angle neutron scattering, SANS)数据:针对单层囊泡的膜结构参数测量数据,用于获取膜厚度与脂质堆积密度。 4. 固态氘核磁共振(<sup>2</sup>H NMR)数据:针对多层脂质堆叠的有序参数静态测量与弛豫速率动态测量数据。 5. 本研究报道的所有双层膜的全原子分子动力学(All-atom molecular dynamics, MD)模拟轨迹(附带Zenodo仓储的下载链接)。 6. 用于采用五壳层囊泡模型拟合SAXS与SANS数据的代码(.c与.py文件,可作为SasView数据拟合软件SasView 5.0.6的插件模型),附带安装与数据拟合操作说明。 7. 用于拟合NSE弯曲涨落谱衰减的代码(.fdf文件,可作为Origin 2021b中的拟合函数),附带安装与数据拟合操作说明。 8. 用于处理与分析固态<sup>2</sup>H NMR数据的代码(.m文件,可作为MATLAB 2021a脚本运行),附带安装与运行操作说明。 本数据集为发表于《Nature Communications》期刊的论文"Cholesterol Modulates Membrane Elasticity via Unified Biophysical Laws"(DOI: https://doi.org/10.1038/s41467-025-62106-0)的补充材料,该论文作者包括:Kumarage, Teshani; Gupta, Sudipta; Morris, Nicholas B.; Doole, Fathima T.; Scott, Haden L.; Stingaciu, Laura-Roxana; Pingali, Sai Venkatesh; Katsaras, John; Khelashvili, George; Doktorova, Milka; Brown, Michael; Ashkar, Rana
提供机构:
University Libraries, Virginia Tech
创建时间:
2025-02-02
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