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Vibrational Spectroscopy: An Emerging Tool for Disease Diagnosis

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A special issue of Diagnostics (ISSN 2075-4418). This special issue belongs to the section "Optical Diagnostics".

Deadline for manuscript submissions: closed (31 March 2023) | Viewed by 3639

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Special Issue Editor

Prof. Dr. Anthony W. Rowbottom

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Guest Editor

1. Department of Immunology, Royal Preston Hospital, Preston PR2 9HT, UK
2. School of Medicine, University of Central Lancashire, Preston PR1 2HE, UK
Interests: spectroscopy; Raman; infra-red; FTIR; clinical; biomarker; diagnostics; machine learning; multivariate analysis; immunology; protein chemistry; autoimmunity

Special Issue Information

Dear Colleagues,

The application of vibrational spectroscopy in the diagnostic and clinical setting is increasing rapidly. The use of Raman spectroscopy and Fourier transform infrared (FTIR) spectroscopy have been successful in providing a new approach to detect molecular and structural changes caused by complex diseases including infections, inflammatory disorders, autoimmunity, and various cancers.

Vibrational spectroscopy, applied together with machine learning techniques, represents an emerging alternative diagnostic tool, which is attracting the attention of both clinical and non-clinical researchers following advancements in biospectroscopic technologies and computational sciences. The literature is scattered with several promising proof-of-concept studies, across a wide repertoire of pathologies, which showcase the accuracy and robustness of this technique. However, as vibrational spectroscopy reaches a tipping point in translational medicine, there is a need to have a Special Issue on “Vibrational Spectroscopy: An Emerging Tool for Disease Diagnosis”, to highlight in one place the advantages and diagnostic utility of this technique to clinicians and spectroscopists alike.

This Special Issue aims to provide a broad overview of this expanding research area, with submissions covering basic and essential aspects of both vibrational spectroscopy and multivariate analysis, its applications as a diagnostic tool, and a consideration of the current state and future challenges in the push towards translating this powerful technique into the routine healthcare setting.

Prof. Dr. Anthony W. Rowbottom
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Diagnostics is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

spectroscopy
Raman
infrared
FTIR
clinical
biomarker
diagnostics
machine learning
multivariate analysis

Published Papers (2 papers)

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Research

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16 pages, 2100 KiB

Open AccessArticle

Salivary Detection of Zika Virus Infection Using ATR-FTIR Spectroscopy Coupled with Machine Learning Algorithms and Univariate Analysis: A Proof-of-Concept Animal Study

by Stephanie Wutke Oliveira, Leia Cardoso-Sousa, Renata Pereira Georjutti, Jacqueline Farinha Shimizu, Suely Silva, Douglas Carvalho Caixeta, Marco Guevara-Vega, Thúlio Marquez Cunha, Murillo Guimarães Carneiro, Luiz Ricardo Goulart, Ana Carolina Gomes Jardim and Robinson Sabino-Silva

Diagnostics 2023, 13(8), 1443; https://doi.org/10.3390/diagnostics13081443 - 17 Apr 2023

Cited by 2 | Viewed by 1577

Abstract

Zika virus (ZIKV) diagnosis is currently performed through an invasive, painful, and costly procedure using molecular biology. Consequently, the search for a non-invasive, more cost-effective, reagent-free, and sustainable method for ZIKV diagnosis is of great relevance. It is critical to prepare a global strategy for the next ZIKV outbreak given its devastating consequences, particularly in pregnant women. Attenuated total reflection–Fourier transform infrared (ATR-FTIR) spectroscopy has been used to discriminate systemic diseases using saliva; however, the salivary diagnostic application in viral diseases is unknown. To test this hypothesis, we intradermally challenged interferon-gamma gene knockout C57/BL6 mice with ZIKV (50 µL,105 FFU, n = 7) or vehicle (50 µL, n = 8). Saliva samples were collected on day three (due to the peak of viremia) and the spleen was also harvested. Changes in the salivary spectral profile were analyzed by Student’s t test (p < 0.05), multivariate analysis, and the diagnostic capacity by ROC curve. ZIKV infection was confirmed by real-time PCR of the spleen sample. The infrared spectroscopy coupled with univariate analysis suggested the vibrational mode at 1547 cm⁻¹ as a potential candidate to discriminate ZIKV and control salivary samples. Three PCs explained 93.2% of the cumulative variance in PCA analysis and the spectrochemical analysis with LDA achieved an accuracy of 93.3%, with a specificity of 87.5% and sensitivity of 100%. The LDA-SVM analysis showed 100% discrimination between both classes. Our results suggest that ATR-FTIR applied to saliva might have high accuracy in ZIKV diagnosis with potential as a non-invasive and cost-effective diagnostic tool. Full article

(This article belongs to the Special Issue Vibrational Spectroscopy: An Emerging Tool for Disease Diagnosis)

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Review

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14 pages, 2040 KiB

Open AccessReview

Vibrational Spectroscopy in Urine Samples as a Medical Tool: Review and Overview on the Current State-of-the-Art

by Francesco Vigo, Alessandra Tozzi, Muriel Disler, Alessia Gisi, Vasileios Kavvadias and Tilemachos Kavvadias

Diagnostics 2023, 13(1), 27; https://doi.org/10.3390/diagnostics13010027 - 22 Dec 2022

Cited by 3 | Viewed by 1731

Abstract

Although known since the first half of the twentieth century, the evolution of spectroscopic techniques has undergone a strong acceleration after the 2000s, driven by the successful development of new computer technologies suitable for analyzing the large amount of data obtained. Today’s applications are no longer limited to analytical chemistry, but are becoming useful instruments in the medical field. Their versatility, rapidity, the volume of information obtained, especially when applied to biological fluids that are easy to collect, such as urine, could provide a novel diagnostic tool with great potential in the early detection of different diseases. This review aims to summarize the existing literature regarding spectroscopy analyses of urine samples, providing insight into potential future applications. Full article

(This article belongs to the Special Issue Vibrational Spectroscopy: An Emerging Tool for Disease Diagnosis)

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