The University of Southampton
University of Southampton Institutional Repository

Towards quantifying biomarkers for respiratory distress in preterm infants: machine learning on mid infrared spectroscopy of lipid mixtures

Towards quantifying biomarkers for respiratory distress in preterm infants: machine learning on mid infrared spectroscopy of lipid mixtures
Towards quantifying biomarkers for respiratory distress in preterm infants: machine learning on mid infrared spectroscopy of lipid mixtures
Neonatal respiratory distress syndrome (nRDS) is a challenging condition to diagnose which can lead to delays in receiving appropriate treatment. Mid infrared (IR) spectroscopy is capable of measuring the concentrations of two diagnostic nRDS biomarkers, lecithin (L) and sphingomyelin (S) with the potential for point of care (POC) diagnosis and monitoring. The effects of varying other lipid species present in lung surfactant on the mid IR spectra used to train machine learning models are explored. This study presents a lung lipid model of five lipids present in lung surfactant and varies each in a systematic approach to evaluate the ability of machine learning models to predict the lipid concentrations, the L/S ratio and to quantify the uncertainty in the predictions using the jackknife + -after-bootstrap and variant bootstrap methods. We establish the L/S ratio can be determined with an uncertainty of approximately ±0.3 mol/mol and we further identify the 5 most prominent wavenumbers associated with each machine learning model.
ATR-FTIR, Learning, Lipid, Machine, PLSR, SHAP values, nRDS
0039-9140
Ahmed, Waseem
4326b5dd-ca37-4ea0-bd27-294f2ef011e6
Vincent Veluthandath, Aneesh
6a183413-e10f-4374-bc64-a33bf7fd9cfa
Madsen, Jens
3a6a1da5-83bd-4fdb-9786-bfd46aed8b1d
Clark, Howard W.
d237bb0a-ab8f-4b97-8ad2-bbfe73314260
Postle, Anthony
0fa17988-b4a0-4cdc-819a-9ae15c5dad66
Dushianthan, Ahilanandan
013692a2-cf26-4278-80bd-9d8fcdb17751
Wilkinson, James S
73483cf3-d9f2-4688-9b09-1c84257884ca
Senthil Murugan, Ganapathy
a867686e-0535-46cc-ad85-c2342086b25b
Ahmed, Waseem
4326b5dd-ca37-4ea0-bd27-294f2ef011e6
Vincent Veluthandath, Aneesh
6a183413-e10f-4374-bc64-a33bf7fd9cfa
Madsen, Jens
3a6a1da5-83bd-4fdb-9786-bfd46aed8b1d
Clark, Howard W.
d237bb0a-ab8f-4b97-8ad2-bbfe73314260
Postle, Anthony
0fa17988-b4a0-4cdc-819a-9ae15c5dad66
Dushianthan, Ahilanandan
013692a2-cf26-4278-80bd-9d8fcdb17751
Wilkinson, James S
73483cf3-d9f2-4688-9b09-1c84257884ca
Senthil Murugan, Ganapathy
a867686e-0535-46cc-ad85-c2342086b25b

Ahmed, Waseem, Vincent Veluthandath, Aneesh, Madsen, Jens, Clark, Howard W., Postle, Anthony, Dushianthan, Ahilanandan, Wilkinson, James S and Senthil Murugan, Ganapathy (2024) Towards quantifying biomarkers for respiratory distress in preterm infants: machine learning on mid infrared spectroscopy of lipid mixtures. Talanta, 275 (March), [126062]. (doi:10.1016/j.talanta.2024.126062).

Record type: Article

Abstract

Neonatal respiratory distress syndrome (nRDS) is a challenging condition to diagnose which can lead to delays in receiving appropriate treatment. Mid infrared (IR) spectroscopy is capable of measuring the concentrations of two diagnostic nRDS biomarkers, lecithin (L) and sphingomyelin (S) with the potential for point of care (POC) diagnosis and monitoring. The effects of varying other lipid species present in lung surfactant on the mid IR spectra used to train machine learning models are explored. This study presents a lung lipid model of five lipids present in lung surfactant and varies each in a systematic approach to evaluate the ability of machine learning models to predict the lipid concentrations, the L/S ratio and to quantify the uncertainty in the predictions using the jackknife + -after-bootstrap and variant bootstrap methods. We establish the L/S ratio can be determined with an uncertainty of approximately ±0.3 mol/mol and we further identify the 5 most prominent wavenumbers associated with each machine learning model.

Text
Towards Quantifying Biomarkers for Respiratory Distress in Preterm Infants: Machine Learning on Mid Infrared Spectroscopy of Lipid Mixtures (clean manuscript) - Accepted Manuscript
Restricted to Repository staff only until 12 April 2025.
Request a copy

More information

Accepted/In Press date: 4 April 2024
e-pub ahead of print date: 10 April 2024
Published date: 13 April 2024
Keywords: ATR-FTIR, Learning, Lipid, Machine, PLSR, SHAP values, nRDS

Identifiers

Local EPrints ID: 494376
URI: http://eprints.soton.ac.uk/id/eprint/494376
ISSN: 0039-9140
PURE UUID: 11dca570-8232-4276-a350-b3afae78b792
ORCID for Aneesh Vincent Veluthandath: ORCID iD orcid.org/0000-0003-4306-6723
ORCID for Anthony Postle: ORCID iD orcid.org/0000-0001-7361-0756
ORCID for Ahilanandan Dushianthan: ORCID iD orcid.org/0000-0002-0165-3359
ORCID for James S Wilkinson: ORCID iD orcid.org/0000-0003-4712-1697
ORCID for Ganapathy Senthil Murugan: ORCID iD orcid.org/0000-0002-2733-3273

Catalogue record

Date deposited: 07 Oct 2024 16:41
Last modified: 08 Oct 2024 02:00

Export record

Altmetrics

Contributors

Author: Waseem Ahmed
Author: Aneesh Vincent Veluthandath ORCID iD
Author: Jens Madsen
Author: Howard W. Clark
Author: Anthony Postle ORCID iD
Author: Ahilanandan Dushianthan ORCID iD
Author: Ganapathy Senthil Murugan ORCID iD

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×