Published April 20, 2023 | Version v1

Supplementary Material for "Entropic barrier of water permeation through single-file channels"

  • 1. Institute of Biophysics, Johannes Kepler University Linz, Gruberstr. 40, 4020 Linz, Austria
  • 2. Department of Biosystems Science and Engineering, Eidgenössiche Technische Hochschule (ETH) Zürich, Mattenstr. 26, 4058 Basel, Switzerland
  • 3. Stuttgart Center for Simulation Science, Cluster of Excellence EXC 2075, University of Stuttgart, Stuttgart, Germany
  • 4. Center of Physiology and Pharmacology, Institute of Pharmacology, Medical University of Vienna, Vienna, Austria

Description

Python code for a global activation energy (Ea) fit to temperature dependent stopped-flow data (*.bka file):

As shown in our manuscript, the accuracy of Ea estimation from stopped-flow data is greatly increased by a global fit to the data. Thereby, the ensemble of curves of a sample at different temperatures is fitted globally using the analytical solution (Eqn. 10), instead of evaluating permeabilities for different temperatures individually and independently. In our python code, osmotic water flux measurements of a sample (mixture of vesicles with and without water channels) recorded at different temperatures are simultaneously fitted using Eqn. 7, Eqn. 10, Eqn. 11 and Eqn. 14. Here, the only free fit parameter, which is evaluated for the different temperatures independently is coefficient b from Eqn. 7. The accuracy of the results increases with the span of the temperature values, number of performed measurements and a decreased empty vesicle fraction.

 

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global_Ea.txt

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Additional details

Related works

Is cited by
Journal article: 10.1038/s42004-023-00919-0 (DOI)

Funding

FWF Austrian Science Fund
Permeation through the bacterial urea transporter UreI from Heliobactor pylori P 31074