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Abstract

Discrete frequency infrared (IR) imaging is an exciting experimental technique that has shown promise in various applications in biomedical science. This technique often involves acquiring IR absorptive images at specific frequencies of interest that enable pathologically relevant chemical contrast. However, certain applications, such as tracking the spatial variations in protein secondary structure of tissue specimens, necessary for the characterization of neurodegenerative diseases, require deeper analysis of spectral data. In such cases, the conventional analytical approach involves band fitting the hyperspectral data to extract the relative populations of different structures through their fitted areas under the curve (AUCs). While Gaussian spectral fitting for one spectrum is viable, expanding that to an image with millions of pixels, as often applicable for tissue specimens, becomes a computationally expensive process. Alternatives like Principal Component Analysis (PCA) are less structurally interpretable and incompatible with sparsely sampled data. Furthermore, this detracts from the key advantages of discrete frequency imaging by necessitating acquisition of a more finely sampled spectral data that is optimal for curve fitting, resulting in significantly longer data acquisition times, larger datasets and additional computational overhead. In this work we demonstrate that a simple two-step regressive neural network model can be utilized to mitigate these challenges and employ discrete frequency imaging for retrieving the results from band fitting without significant loss of fidelity. Our model reduces the data acquisition time nearly 6-fold by requiring only seven wavenumbers to accurately interpolate spectral information at a higher resolution, and subsequently using the upscaled spectra to accurate predict the component AUCs, which is more than 3000 times faster than spectral fitting. Our approach thus drastically cuts down the data acquisition and analysis time and predicts key differences in protein structure that can be vital towards broadening potential applications of discrete frequency imaging.

Competing Interest Statement

The authors have declared no competing interest.

Details

1009240
Title
A Machine Learning-based Approach for Quantification of Protein Secondary Structures from Discrete Frequency Infrared Images
Publication title
bioRxiv; Cold Spring Harbor
Publication year
2025
Publication date
Jan 13, 2025
Section
New Results
Publisher
Cold Spring Harbor Laboratory Press
Source
BioRxiv
Place of publication
Cold Spring Harbor
Country of publication
United States
University/institution
Cold Spring Harbor Laboratory Press
Publication subject
ISSN
2692-8205
Source type
Working Paper
Language of publication
English
Document type
Working Paper
ProQuest document ID
3154980646
Document URL
https://www.proquest.com/working-papers/machine-learning-based-approach-quantification/docview/3154980646/se-2?accountid=208611
Copyright
© 2025. This article is published under http://creativecommons.org/licenses/by-nc-nd/4.0/ (“the License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.
Last updated
2025-01-14
Database
ProQuest One Academic