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Molecules
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Biomedical Applications of Infrared and Raman Spectroscopy
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Biomedical Applications of Infrared and Raman Spectroscopy

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (15 March 2021) | Viewed by 22448

Special Issue Editors

Prof. Dr. Rui Fausto

E-Mail Website
Guest Editor
Department of Chemistry, Coimbra Chemistry Center (CQC-IMS), University of Coimbra, 3004-535 Coimbra, Portugal
Interests: photochemistry; molecular cryo- and biospectroscopy; quantum chemistry; molecular structure; photophysics; chemometrics
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Gulce Ogruc Ildiz

E-Mail Website1 Website2
Guest Editor
1. Department of Chemistry, Coimbra Chemistry Center, University of Coimbra, Coimbra, Portugal
2. Faculty of Sciences & Letters, Department of Physics, Istanbul Kultur University, Istanbul, Turkey
Interests: photochemistry; molecular cryo- and biospectroscopy; quantum chemistry; molecular structure; photophysics; chemometrics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

It is my great pleasure to invite you to submit an article for a high-profile Special Issue on “Biomedical Applications of Infrared and Raman Spectroscopy” to be published in Molecules.

Infrared and Raman spectroscopy have been gaining interest as tools to address complex problems in biomedicine. The basis for this is that both infrared and Raman techniques are capable of providing particulars of the morphology and chemical composition of cells, tissues, and other biomaterials, in a fast non-destructive way, but are also able to scrutinize fine details of the structures adopted by their constituting molecules. Since diseases and other pathological anomalies lead to chemical and structural changes at the molecular level, vibrational spectra can be used as sensitive phenotypic markers of the diseases. At present, with the handiness of high-throughput and sensitive instruments for Raman and infrared microspectroscopic imaging, reliable fiber-optical probes for in vivo applications, and powerful analytical methods based on multivariate analysis, all conditions exist for infrared and Raman spectroscopy to gain prominence in the biomedical field.

Research articles on both technical developments and applications of infrared and Raman spectroscopy to biomedical problems are welcome, as are review articles and perspectives from experts in the field.

Prof. Dr. Rui Fausto
Assoc. Prof. Dr. Gulce Ogruc Ildiz
Guest Editors

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. Molecules 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 2700 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

  • Raman spectroscopy
  • infrared spectroscopy
  • biomedical applications
  • chemometrics

Published Papers (6 papers)

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Research

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13 pages, 2547 KiB  
Article
A Preliminary Study of FTIR Spectroscopy as a Potential Non-Invasive Screening Tool for Pediatric Precursor B Lymphoblastic Leukemia
by Radosław Chaber, Aneta Kowal, Paweł Jakubczyk, Christopher Arthur, Kornelia Łach, Renata Wojnarowska-Nowak, Krzysztof Kusz, Izabela Zawlik, Sylwia Paszek and Józef Cebulski
Molecules 2021, 26(4), 1174; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26041174 - 22 Feb 2021
Cited by 26 | Viewed by 3098
Abstract
Early detection of the most common pediatric neoplasm, B-cell precursor lymphoblastic leukemia (BCP-ALL), is challenging and requires invasive bone marrow biopsies. The purpose of this study was to establish new biomarkers for early screening to detect pediatric leukemia. In this small cohort study, [...] Read more.
Early detection of the most common pediatric neoplasm, B-cell precursor lymphoblastic leukemia (BCP-ALL), is challenging and requires invasive bone marrow biopsies. The purpose of this study was to establish new biomarkers for early screening to detect pediatric leukemia. In this small cohort study, Fourier transform infrared (FTIR) spectra were obtained from blood sera of 10 patients with BCP-ALL and were compared with the control samples from 10 children with some conditions other than neoplasm. Using various analytical approaches, including a new physical model, some significant differences were observable. The most important include: the different peak area ratio 2965/1645 cm−1 (p = 0.002); the lower average percentage of both β-sheet and β-turn protein structures in the sera of BCP-ALL patients (p = 0.03); an AdaBoost-based predictive model for classifying healthy vs. BCP-ALL patients with 85% accuracy; and the phase shift of the first derivative in the spectral range 1050–1042 cm−1 correlating with white blood cell (WBC) and blast cell count in BCP-ALL patients contrary to the samples obtained from healthy controls. Although verification in larger groups of patients will be necessary, these promising results suggest that FTIR spectroscopy may have future potential for the early screening of BCP-ALL. Full article
(This article belongs to the Special Issue Biomedical Applications of Infrared and Raman Spectroscopy)
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9 pages, 1692 KiB  
Article
Labeled vs. Label-Free Raman Imaging of Lipids in Endothelial Cells of Various Origins
by Basseem Radwan, Adriana Adamczyk, Szymon Tott, Krzysztof Czamara, Katarzyna Kaminska, Ewelina Matuszyk and Malgorzata Baranska
Molecules 2020, 25(23), 5752; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules25235752 - 06 Dec 2020
Cited by 8 | Viewed by 3487
Abstract
Endothelial cells (EC) constitute a single layer of the lining of blood vessels and play an important role in maintaining cardiovascular homeostasis. Endothelial dysfunction has been recognized as a primary or secondary cause of many diseases and it manifests itself, among others, by [...] Read more.
Endothelial cells (EC) constitute a single layer of the lining of blood vessels and play an important role in maintaining cardiovascular homeostasis. Endothelial dysfunction has been recognized as a primary or secondary cause of many diseases and it manifests itself, among others, by increased lipid content or a change in the lipid composition in the EC. Therefore, the analysis of cellular lipids is crucial to understand the mechanisms of disease development. Tumor necrosis factor alpha (TNF-α)-induced inflammation of EC alters the lipid content of cells, which can be detected by Raman spectroscopy. By default, lipid detection is carried out in a label-free manner, and these compounds are recognized based on their spectral profile characteristics. We consider (3S,3′S)-astaxanthin (AXT), a natural dye with a characteristic resonance spectrum, as a new Raman probe for the detection of lipids in the EC of various vascular beds, i.e., the aorta, brain and heart. AXT colocalizes with lipids in cells, enabling imaging of lipid-rich cellular components in a time-dependent manner using laser power 10 times lower than that commonly used to measure biological samples. The results show that AXT can be used to study lipids distribution in EC at various locations, suggesting its use as a universal probe for studying cellular lipids using Raman spectroscopy. The use of labeled Raman imaging of lipids in the EC of various organs could contribute to their easier identification and to a better understanding of the development and progression of various vascular diseases, and it could also potentially improve their diagnosis and treatment. Full article
(This article belongs to the Special Issue Biomedical Applications of Infrared and Raman Spectroscopy)
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12 pages, 3267 KiB  
Article
Fourier Transform Infrared Spectroscopy Based Complementary Diagnosis Tool for Autism Spectrum Disorder in Children and Adolescents
by Gulce Ogruc Ildiz, Sevgi Bayari, Ahmet Karadag, Ersin Kaygisiz and Rui Fausto
Molecules 2020, 25(9), 2079; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules25092079 - 29 Apr 2020
Cited by 5 | Viewed by 2723
Abstract
Autism spectrum disorder (ASD) is a neurodevelopmental disorder that begins early in life and continues lifelong with strong personal and societal implications. It affects about 1%–2% of the children population in the world. The absence of auxiliary methods that can complement the clinical [...] Read more.
Autism spectrum disorder (ASD) is a neurodevelopmental disorder that begins early in life and continues lifelong with strong personal and societal implications. It affects about 1%–2% of the children population in the world. The absence of auxiliary methods that can complement the clinical evaluation of ASD increases the probability of false identification of the disorder, especially in the case of very young children. In this study, analytical models for auxiliary diagnosis of ASD in children and adolescents, based on the analysis of patients’ blood serum ATR-FTIR (Attenuated Total Reflectance-Fourier Transform Infrared) spectra, were developed. The models use chemometrics (either Principal Component Analysis (PCA) or Partial Least Squares Discriminant Analysis (PLS-DA)) methods, with the infrared spectra being the X-predictor variables. The two developed models exhibit excellent classification performance for samples of ASD individuals vs. healthy controls. Interestingly, the simplest, unsupervised PCA-based model results to have a global performance identical to the more demanding, supervised (PLS-DA)-based model. The developed PCA-based model thus appears as the more economical alternative one for use in the clinical environment. Hierarchical clustering analysis performed on the full set of samples was also successful in discriminating the two groups. Full article
(This article belongs to the Special Issue Biomedical Applications of Infrared and Raman Spectroscopy)
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Review

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31 pages, 7074 KiB  
Review
Applications of Vibrational Spectroscopy for Analysis of Connective Tissues
by William Querido, Shital Kandel and Nancy Pleshko
Molecules 2021, 26(4), 922; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26040922 - 09 Feb 2021
Cited by 41 | Viewed by 5095
Abstract
Advances in vibrational spectroscopy have propelled new insights into the molecular composition and structure of biological tissues. In this review, we discuss common modalities and techniques of vibrational spectroscopy, and present key examples to illustrate how they have been applied to enrich the [...] Read more.
Advances in vibrational spectroscopy have propelled new insights into the molecular composition and structure of biological tissues. In this review, we discuss common modalities and techniques of vibrational spectroscopy, and present key examples to illustrate how they have been applied to enrich the assessment of connective tissues. In particular, we focus on applications of Fourier transform infrared (FTIR), near infrared (NIR) and Raman spectroscopy to assess cartilage and bone properties. We present strengths and limitations of each approach and discuss how the combination of spectrometers with microscopes (hyperspectral imaging) and fiber optic probes have greatly advanced their biomedical applications. We show how these modalities may be used to evaluate virtually any type of sample (ex vivo, in situ or in vivo) and how “spectral fingerprints” can be interpreted to quantify outcomes related to tissue composition and quality. We highlight the unparalleled advantage of vibrational spectroscopy as a label-free and often nondestructive approach to assess properties of the extracellular matrix (ECM) associated with normal, developing, aging, pathological and treated tissues. We believe this review will assist readers not only in better understanding applications of FTIR, NIR and Raman spectroscopy, but also in implementing these approaches for their own research projects. Full article
(This article belongs to the Special Issue Biomedical Applications of Infrared and Raman Spectroscopy)
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23 pages, 3478 KiB  
Review
Introduction to Infrared and Raman-Based Biomedical Molecular Imaging and Comparison with Other Modalities
by Carlos F. G. C. Geraldes
Molecules 2020, 25(23), 5547; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules25235547 - 26 Nov 2020
Cited by 23 | Viewed by 4761
Abstract
Molecular imaging has rapidly developed to answer the need of image contrast in medical diagnostic imaging to go beyond morphological information to include functional differences in imaged tissues at the cellular and molecular levels. Vibrational (infrared (IR) and Raman) imaging has rapidly emerged [...] Read more.
Molecular imaging has rapidly developed to answer the need of image contrast in medical diagnostic imaging to go beyond morphological information to include functional differences in imaged tissues at the cellular and molecular levels. Vibrational (infrared (IR) and Raman) imaging has rapidly emerged among the molecular imaging modalities available, due to its label-free combination of high spatial resolution with chemical specificity. This article presents the physical basis of vibrational spectroscopy and imaging, followed by illustration of their preclinical in vitro applications in body fluids and cells, ex vivo tissues and in vivo small animals and ending with a brief discussion of their clinical translation. After comparing the advantages and disadvantages of IR/Raman imaging with the other main modalities, such as magnetic resonance imaging (MRI), computed tomography (CT), positron emission tomography/single-photon emission-computed tomography (PET/SPECT), ultrasound (US) and photoacoustic imaging (PAI), the design of multimodal probes combining vibrational imaging with other modalities is discussed, illustrated by some preclinical proof-of-concept examples. Full article
(This article belongs to the Special Issue Biomedical Applications of Infrared and Raman Spectroscopy)
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Other

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7 pages, 183 KiB  
Perspective
Biomedical Vibrational Spectroscopy in the Era of Artificial Intelligence
by Henry Horst Mantsch
Molecules 2021, 26(5), 1439; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26051439 - 06 Mar 2021
Cited by 5 | Viewed by 1907
Abstract
Biomedical vibrational spectroscopy has come of age. The past twenty years have brought many advancements and new developments and now its practitioners face a new challenge: artificial intelligence. Artificial intelligence has the capability to detect meaningful relationships in data sets such as those [...] Read more.
Biomedical vibrational spectroscopy has come of age. The past twenty years have brought many advancements and new developments and now its practitioners face a new challenge: artificial intelligence. Artificial intelligence has the capability to detect meaningful relationships in data sets such as those found in an infrared or Raman spectrum. The present narrative assesses the degree to which biomedical vibrational spectroscopy has already embraced artificial intelligence and what can be expected going forward. This article belongs to the Special Issue Biomedical Applications of Infrared and Raman Spectroscopy. Full article
(This article belongs to the Special Issue Biomedical Applications of Infrared and Raman Spectroscopy)
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