A nonlinear sloped logistic method for determination of biopolymer melting points: python script

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Autori principali: Drew, Parsons, David, Collu, Monica, Mura, Carucci, Cristina, Salis, Andrea
Natura: Recurso digital
Pubblicazione: Zenodo 2025
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author Drew, Parsons
David, Collu
Monica, Mura
Carucci, Cristina
Salis, Andrea
author_facet Drew, Parsons
David, Collu
Monica, Mura
Carucci, Cristina
Salis, Andrea
contents <p>This script provides an implementation in python of a new sloped logistic method for determining the melting point of biopolymers, including DNA, from UV/Vis absorption measurements of the molecule over a range of temperatures. This method offers two distinct advantages over the classical manual graphical method. First, by fitting over the entire date set, it enables automation of the measurement, in contrast with the graphical method that requires manual identification of linear regimes above and below the melting temperature. Secondly the relative error in the measurement is vastly improvied, typically less than 5%, compared to an error greater than 15% in the graphical method (due to error in linear slopes).<br><br>The script is written in python and may be run via a Spyder GUI, or directly from the command line. It may be operated in 3 different modes</p> <ol> <li>pasting in data files names manually when requested by the script</li> <li>providing input data file names at the command line (when launching from the command line rather than Spyder)</li> <li>writing data file names into the `default_inputfile_list` variable in the script</li> </ol> <p><br>The first mode (interactive manual filenames) is activated by default, but may be deactivated by setting `is_interactive` to `False` instead of `True` in the script.<br><br>Input data files are expected to provide absorption data  as temperature and absorbance.  The data may be simple text (white-space or comma separated), or in Excel-compatible spreadsheet. Sample data sets are provided with the script.<br><br></p>
format Recurso digital
id zenodo_https___doi_org_10_5281_zenodo_14952482
institution Zenodo
language
publishDate 2025
publisher Zenodo
record_format zenodo
spellingShingle A nonlinear sloped logistic method for determination of biopolymer melting points: python script
Drew, Parsons
David, Collu
Monica, Mura
Carucci, Cristina
Salis, Andrea
melting point
biopolymer
DNA
UV/vis absorbance
<p>This script provides an implementation in python of a new sloped logistic method for determining the melting point of biopolymers, including DNA, from UV/Vis absorption measurements of the molecule over a range of temperatures. This method offers two distinct advantages over the classical manual graphical method. First, by fitting over the entire date set, it enables automation of the measurement, in contrast with the graphical method that requires manual identification of linear regimes above and below the melting temperature. Secondly the relative error in the measurement is vastly improvied, typically less than 5%, compared to an error greater than 15% in the graphical method (due to error in linear slopes).<br><br>The script is written in python and may be run via a Spyder GUI, or directly from the command line. It may be operated in 3 different modes</p> <ol> <li>pasting in data files names manually when requested by the script</li> <li>providing input data file names at the command line (when launching from the command line rather than Spyder)</li> <li>writing data file names into the `default_inputfile_list` variable in the script</li> </ol> <p><br>The first mode (interactive manual filenames) is activated by default, but may be deactivated by setting `is_interactive` to `False` instead of `True` in the script.<br><br>Input data files are expected to provide absorption data  as temperature and absorbance.  The data may be simple text (white-space or comma separated), or in Excel-compatible spreadsheet. Sample data sets are provided with the script.<br><br></p>
title A nonlinear sloped logistic method for determination of biopolymer melting points: python script
topic melting point
biopolymer
DNA
UV/vis absorbance
url https://doi.org/10.5281/zenodo.14952482