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1
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Delrue C, De Bruyne S, Speeckaert MM. The Promise of Infrared Spectroscopy in Liquid Biopsies for Solid Cancer Detection. Diagnostics (Basel) 2025; 15:368. [PMID: 39941298 PMCID: PMC11818004 DOI: 10.3390/diagnostics15030368] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/16/2024] [Revised: 01/15/2025] [Accepted: 02/01/2025] [Indexed: 02/16/2025] Open
Abstract
Attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy has shown significant promise in the context of liquid biopsy, offering a potential tool for cancer diagnostics. Unlike traditional tissue biopsies, which may not fully capture the clonal heterogeneity of tumors, liquid biopsy reflects the dynamic state of the disease and its progression more comprehensively. Biofluids such as serum and plasma are low-cost, minimally invasive diagnostic media with well-established clinical uses. This review assesses the use of ATR-FTIR spectroscopy to detect biochemical changes in biofluids linked to various malignancies, including breast, ovarian, endometrial, prostate, bladder, kidney, pancreatic, colorectal, hepatic, esophageal, gastric, lung, and brain cancers. While ATR-FTIR offers the advantages of rapid, minimally invasive detection and real-time disease monitoring, its integration into clinical practice faces challenges, particularly in terms of reproducibility due to variability in sample preparation, spectral acquisition, and data processing. The translation of ATR-FTIR into routine diagnostics will require validation through large-scale cohort studies and multicenter trials to ensure its clinical reliability and effectiveness.
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Affiliation(s)
- Charlotte Delrue
- Department of Nephrology, Ghent University Hospital, 9000 Ghent, Belgium;
| | - Sander De Bruyne
- Department of Diagnostic Sciences, Ghent University, 9000 Ghent, Belgium;
- Department of Laboratory Medicine, AZ Sint-Blasius, 9200 Dendermonde, Belgium
| | - Marijn M. Speeckaert
- Department of Nephrology, Ghent University Hospital, 9000 Ghent, Belgium;
- Research Foundation-Flanders (FWO), 1000 Brussels, Belgium
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2
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Chautard R, Caulet M, Bouché O, Borg C, Manfredi S, Capitain O, Spano JP, Raoul W, Guéguinou M, Herault O, Ferru A, Pobel C, Sire O, Lecomte T. Evaluation of serum mid-infrared spectroscopy as new prognostic marker for first-line bevacizumab-based chemotherapy in metastatic colorectal cancer. Dig Liver Dis 2025; 57:141-148. [PMID: 39164167 DOI: 10.1016/j.dld.2024.07.022] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Submit a Manuscript] [Subscribe] [Scholar Register] [Received: 02/15/2024] [Revised: 07/05/2024] [Accepted: 07/20/2024] [Indexed: 08/22/2024]
Abstract
BACKGROUND AND AIMS Bevacizumab-based chemotherapy is a recommended first-line treatment for metastatic colorectal cancer (mCRC). Robust biomarkers with clinical practice applicability have not been identified for patients with this treatment. We aimed to evaluate the prognostic yield of serum mid-infrared spectroscopy (MIRS) on patients receiving first-line bevacizumab-based chemotherapy for mCRC. METHODS We conducted an ancillary analysis from a multicentre prospective study (NCT00489697). All baseline serums were screened by attenuated total reflection method. Principal component analysis and unsupervised k-mean partitioning methods were performed blinded to all patients' data. Endpoints were progression-free survival (PFS) and overall survival (OS). RESULTS From the 108 included patients, MIRS discriminated two prognostic groups. First group patients had significantly lower body mass index (p = 0.026) and albumin levels (p < 0.001), and higher levels of angiogenic markers, lactate dehydrogenase and carcinoembryonic antigen (p < 0.001). In univariate analysis, their OS and PFS were shorter with respective medians: 17.6 vs 27.9 months (p = 0.02) and 8.7 vs 11.3 months (p = 0.03). In multivariate analysis, PFS was significantly shorter (HR = 1.74, p = 0.025) with a similar trend for OS (HR = 1.69, p = 0.061). CONCLUSION By metabolomic fingerprinting, MIRS proves to be a promising prognostic tool for patients receiving first-line bevacizumab-based chemotherapy for mCRC.
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Affiliation(s)
- Romain Chautard
- Department of Hepato-Gastroenterology and Digestive Oncology, Centre Hospitalier Régional Universitaire de Tours, Université François Rabelais, Tours, France; Université de Tours, Inserm, UMR 1069, Nutrition Croissance et Cancer (N2C), Faculté de Médecine, Tours, France.
| | - Morgane Caulet
- Department of Hepato-Gastroenterology and Digestive Oncology, Centre Hospitalier Régional Universitaire de Tours, Université François Rabelais, Tours, France
| | - Olivier Bouché
- Department of Digestive Oncology, Hôpital Robert Debré, CHU de Reims, Avenue Général Koenig, 51092, Reims, France
| | - Christophe Borg
- Department of Medical Oncology, Hôpital Jean Minjoz, CHRU de Besançon, 3 Boulevard Alexandre Fleming, 25000, Besançon, France
| | - Sylvain Manfredi
- Department of Gastroenterology, CHU Dijon, University of Bourgogne-Franche Comté, INSERM U1231, Dijon, France
| | - Olivier Capitain
- Department of Medical Oncology, Institut de Cancérologie de l'Ouest Paul Papin, Angers, France
| | - Jean-Philippe Spano
- Oncology Department, Sorbonne University, Pitié-Salpêtrière Hospital, Paris, France
| | - William Raoul
- Université de Tours, Inserm, UMR 1069, Nutrition Croissance et Cancer (N2C), Faculté de Médecine, Tours, France
| | - Maxime Guéguinou
- Université de Tours, Inserm, UMR 1069, Nutrition Croissance et Cancer (N2C), Faculté de Médecine, Tours, France
| | - Olivier Herault
- CNRS ERL7001 LNOX, EA7501, Tours University, 37000 Tours, France
| | - Aurélie Ferru
- Medical Oncology Department, Poitiers University Hospital, Poitiers, France
| | - Cédric Pobel
- INSERM U981, Gustave Roussy Institute, Villejuif, France
| | | | - Thierry Lecomte
- Department of Hepato-Gastroenterology and Digestive Oncology, Centre Hospitalier Régional Universitaire de Tours, Université François Rabelais, Tours, France; Université de Tours, Inserm, UMR 1069, Nutrition Croissance et Cancer (N2C), Faculté de Médecine, Tours, France
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3
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Borșa RM, Toma V, Nășcuțiu MT, Onaciu A, Colceriu-Șimon IM, Băciuț G, Bran S, Dinu CM, Onișor F, Armencea G, Culic C, Hedeșiu MC, Știufiuc RI, Băciuț MF. Understanding the Interaction of Röntgen Radiation Employed in Computed Tomography/Cone Beam Computed Tomography Investigations of the Oral Cavity by Means of Surface-Enhanced Raman Spectroscopy Analysis of Saliva. SENSORS (BASEL, SWITZERLAND) 2024; 24:8021. [PMID: 39771757 PMCID: PMC11679455 DOI: 10.3390/s24248021] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Figures] [Subscribe] [Scholar Register] [Received: 09/20/2024] [Revised: 12/11/2024] [Accepted: 12/13/2024] [Indexed: 01/11/2025]
Abstract
The use of Raman spectroscopy, particularly surface-enhanced Raman spectroscopy (SERS), offers a powerful tool for analyzing biochemical changes in biofluids. This study aims to assess the modifications occurring in saliva collected from patients before and after exposure to cone beam computed tomography (CBCT) and computed tomography (CT) imaging. SERS analysis revealed significantly amplified spectra in post-imaging samples compared to pre-imaging samples, with pronounced intensification of thiocyanate and opiorphin bands, which, together with proteins, dominated the spectra. The changes were more pronounced in the case of CT as compared to CBCT, probably due to the use of a high radiation dose in the case of the first-mentioned technique. These findings underscore the impact of CBCT and CT on salivary composition, highlighting the relevance of SERS as a sensitive method for detecting subtle molecular changes in biofluids post-radiation exposure. This study's results emphasize the importance of monitoring biochemical markers in patients undergoing diagnostic imaging to better understand the systemic effects of ionizing radiation.
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Affiliation(s)
- Rareș-Mario Borșa
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of Maxillofacial Surgery and Implantology, “Iuliu Hațieganu” University of Medicine and Pharmacy, Cardinal Iuliu Hossu 37, 400029 Cluj-Napoca, Romania
- Department of Pharmaceutical Physics & Biophysics, Faculty of Pharmacy, “Iuliu Hatieganu” University of Medicine and Pharmacy, Louis Pasteur 6, 400349 Cluj-Napoca, Romania;
- Department of Prosthetic Dentistry and Dental Materials, Division Dental Propaedeutics, Aesthetics, Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Clinicilor 32, 400001 Cluj-Napoca, Romania
- Department of NanoBioPhysics, Institute of Medical Research and Life Sciences—MEDFUTURE, “Iuliu Haţieganu” University of Medicine and Pharmacy, Louis Pasteur 4-6, 400349 Cluj-Napoca, Romania;
| | - Valentin Toma
- Department of NanoBioPhysics, Institute of Medical Research and Life Sciences—MEDFUTURE, “Iuliu Haţieganu” University of Medicine and Pharmacy, Louis Pasteur 4-6, 400349 Cluj-Napoca, Romania;
| | - Melania-Teodora Nășcuțiu
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of NanoBioPhysics, Institute of Medical Research and Life Sciences—MEDFUTURE, “Iuliu Haţieganu” University of Medicine and Pharmacy, Louis Pasteur 4-6, 400349 Cluj-Napoca, Romania;
| | - Anca Onaciu
- Department of Pharmaceutical Physics & Biophysics, Faculty of Pharmacy, “Iuliu Hatieganu” University of Medicine and Pharmacy, Louis Pasteur 6, 400349 Cluj-Napoca, Romania;
- Department of NanoBioPhysics, Institute of Medical Research and Life Sciences—MEDFUTURE, “Iuliu Haţieganu” University of Medicine and Pharmacy, Louis Pasteur 4-6, 400349 Cluj-Napoca, Romania;
| | - Ioana-Maria Colceriu-Șimon
- Department of Conservative Odontology, Division Orthodontics and Dental-Facial Orthopedics, “Iuliu Hatieganu” University of Medicine and Pharmacy, Avram Iancu 31, 400089 Cluj-Napoca, Romania;
| | - Grigore Băciuț
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of Maxillofacial Surgery and Implantology, “Iuliu Hațieganu” University of Medicine and Pharmacy, Cardinal Iuliu Hossu 37, 400029 Cluj-Napoca, Romania
- County Emergency Hospital Cluj, Clinicilor 3-5, 400006 Cluj-Napoca, Romania;
| | - Simion Bran
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of Maxillofacial Surgery and Implantology, “Iuliu Hațieganu” University of Medicine and Pharmacy, Cardinal Iuliu Hossu 37, 400029 Cluj-Napoca, Romania
- County Emergency Hospital Cluj, Clinicilor 3-5, 400006 Cluj-Napoca, Romania;
| | - Cristian-Mihail Dinu
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of Maxillofacial Surgery and Implantology, “Iuliu Hațieganu” University of Medicine and Pharmacy, Cardinal Iuliu Hossu 37, 400029 Cluj-Napoca, Romania
- County Emergency Hospital Cluj, Clinicilor 3-5, 400006 Cluj-Napoca, Romania;
| | - Florin Onișor
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of Maxillofacial Surgery and Implantology, “Iuliu Hațieganu” University of Medicine and Pharmacy, Cardinal Iuliu Hossu 37, 400029 Cluj-Napoca, Romania
- County Emergency Hospital Cluj, Clinicilor 3-5, 400006 Cluj-Napoca, Romania;
| | - Gabriel Armencea
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of Maxillofacial Surgery and Implantology, “Iuliu Hațieganu” University of Medicine and Pharmacy, Cardinal Iuliu Hossu 37, 400029 Cluj-Napoca, Romania
- County Emergency Hospital Cluj, Clinicilor 3-5, 400006 Cluj-Napoca, Romania;
| | - Carina Culic
- Department of Conservative Odontology, Division Odontology, Endodontics, Cariology, Oral Pathology, “Iuliu Hatieganu” University of Medicine and Pharmacy, Moților 33, 400089 Cluj-Napoca, Romania;
| | - Mihaela-Carmen Hedeșiu
- County Emergency Hospital Cluj, Clinicilor 3-5, 400006 Cluj-Napoca, Romania;
- Department of Oral Radiology, “Iuliu Hatieganu” University of Medicine and Pharmacy, Avram Iancu 31, 400089 Cluj-Napoca, Romania
| | - Rareș-Ionuț Știufiuc
- Department of Pharmaceutical Physics & Biophysics, Faculty of Pharmacy, “Iuliu Hatieganu” University of Medicine and Pharmacy, Louis Pasteur 6, 400349 Cluj-Napoca, Romania;
- Department of NanoBioPhysics, Institute of Medical Research and Life Sciences—MEDFUTURE, “Iuliu Haţieganu” University of Medicine and Pharmacy, Louis Pasteur 4-6, 400349 Cluj-Napoca, Romania;
- Nanotechnology Laboratory, TRANSCEND Research Center, Regional Institute of Oncology, General Henri Mathias Berthelot 2-4, 700483 Iaşi, Romania
| | - Mihaela-Felicia Băciuț
- Dental Medicine Faculty, “Iuliu Hatieganu” University of Medicine and Pharmacy, Pasteur 4, 400349 Cluj-Napoca, Romania; (R.-M.B.); (M.-T.N.); (G.B.); (S.B.); (C.-M.D.); (F.O.); (G.A.); (M.-F.B.)
- Department of Maxillofacial Surgery and Implantology, “Iuliu Hațieganu” University of Medicine and Pharmacy, Cardinal Iuliu Hossu 37, 400029 Cluj-Napoca, Romania
- County Emergency Hospital Cluj, Clinicilor 3-5, 400006 Cluj-Napoca, Romania;
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Eissa T, Voronina L, Huber M, Fleischmann F, Žigman M. The Perils of Molecular Interpretations from Vibrational Spectra of Complex Samples. Angew Chem Int Ed Engl 2024:e202411596. [PMID: 39508580 DOI: 10.1002/anie.202411596] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 06/20/2024] [Indexed: 11/15/2024]
Abstract
Vibrational spectroscopy is a widely used technique for chemical characterizations across various analytical sciences. Its applications are increasingly extending to the analysis of complex samples such as biofluids, providing high-throughput molecular profiling. While powerful, the technique suffers from an inherent limitation: The overlap of absorption information across different spectral domains hinders the capacity to identify individual molecular substances contributing to measured signals. Despite the awareness of this challenge, the difficulty of analyzing multi-molecular spectra is often underestimated, leading to unsubstantiated molecular interpretations. Here, we examine the prevalent overreliance on spectral band assignment and illuminate the pitfalls of correlating spectral signals to discrete molecular entities or physiological states without rigorous validation. Focusing on blood-based infrared spectroscopy, we provide examples illustrating how peak overlap among different substances, relative substance concentrations, and preprocessing steps can lead to erroneous interpretations. We advocate for a viewpoint shift towards a more careful understanding of complex spectra, which shall lead to either accepting their fingerprinting nature and leveraging machine learning analysis - or involving additional measurement modalities for robust molecular interpretations. Aiming to help translate and improve analytical practices within the field, we highlight the limitations of molecular interpretations and feature their viable applications.
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Affiliation(s)
- Tarek Eissa
- Ludwig-Maximilians-Universität München (LMU), Chair of Exper-imental Physics - Laser Physics, Garching, Germany
- Max Planck Institute of Quantum Optics (MPQ), Laboratory for Attosecond Physics, Garching, Germany
- Technical University of Munich (TUM), School of Computation, Information and Technology, Garching, Germany
| | - Liudmila Voronina
- Ludwig-Maximilians-Universität München (LMU), Chair of Exper-imental Physics - Laser Physics, Garching, Germany
| | - Marinus Huber
- Ludwig-Maximilians-Universität München (LMU), Chair of Exper-imental Physics - Laser Physics, Garching, Germany
- Max Planck Institute of Quantum Optics (MPQ), Laboratory for Attosecond Physics, Garching, Germany
| | - Frank Fleischmann
- Ludwig-Maximilians-Universität München (LMU), Chair of Exper-imental Physics - Laser Physics, Garching, Germany
- Max Planck Institute of Quantum Optics (MPQ), Laboratory for Attosecond Physics, Garching, Germany
| | - Mihaela Žigman
- Ludwig-Maximilians-Universität München (LMU), Chair of Exper-imental Physics - Laser Physics, Garching, Germany
- Max Planck Institute of Quantum Optics (MPQ), Laboratory for Attosecond Physics, Garching, Germany
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5
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Buhas BA, Muntean LAM, Ploussard G, Feciche BO, Andras I, Toma V, Maghiar TA, Crișan N, Știufiuc RI, Lucaciu CM. Renal Cell Carcinoma Discrimination through Attenuated Total Reflection Fourier Transform Infrared Spectroscopy of Dried Human Urine and Machine Learning Techniques. Int J Mol Sci 2024; 25:9830. [PMID: 39337322 PMCID: PMC11432727 DOI: 10.3390/ijms25189830] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 08/14/2024] [Revised: 09/08/2024] [Accepted: 09/10/2024] [Indexed: 09/30/2024] Open
Abstract
Renal cell carcinoma (RCC) is the sixth most common cancer in men and is often asymptomatic, leading to incidental detection in advanced disease stages that are associated with aggressive histology and poorer outcomes. Various cancer biomarkers are found in urine samples from patients with RCC. In this study, we propose to investigate the use of Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy (ATR-FTIR) on dried urine samples for distinguishing RCC. We analyzed dried urine samples from 49 patients with RCC, confirmed by histopathology, and 39 healthy donors using ATR-FTIR spectroscopy. The vibrational bands of the dried urine were identified by comparing them with spectra from dried artificial urine, individual urine components, and dried artificial urine spiked with urine components. Urea dominated all spectra, but smaller intensity peaks, corresponding to creatinine, phosphate, and uric acid, were also identified. Statistically significant differences between the FTIR spectra of the two groups were obtained only for creatinine, with lower intensities for RCC cases. The discrimination of RCC was performed through Principal Component Analysis combined with Linear Discriminant Analysis (PCA-LDA) and Support Vector Machine (SVM). Using PCA-LDA, we achieved a higher discrimination accuracy (82%) (using only six Principal Components to avoid overfitting), as compared to SVM (76%). Our results demonstrate the potential of urine ATR-FTIR combined with machine learning techniques for RCC discrimination. However, further studies, especially of other urological diseases, must validate this approach.
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Affiliation(s)
- Bogdan Adrian Buhas
- Department of Urology, Medicover Hospital, 323T Principala St., 407062 Suceagu, Romania
- Faculty of Medicine and Pharmacy, University of Oradea, 1 Universitatii St., 410087 Oradea, Romania
| | - Lucia Ana-Maria Muntean
- Department of Medical Education, Iuliu Hatieganu University of Medicine and Pharmacy, 8 Victor Babes St., 400347 Cluj-Napoca, Romania
| | - Guillaume Ploussard
- Department of Urology, La Croix du Sud Hospital, 52 Chemin de Ribaute St., 31130 Quint-Fonsegrives, France
| | - Bogdan Ovidiu Feciche
- Faculty of Medicine and Pharmacy, University of Oradea, 1 Universitatii St., 410087 Oradea, Romania
| | - Iulia Andras
- Faculty of Medicine, Iuliu Hatieganu University of Medicine and Pharmacy, 8 Victor Babes St., 400347 Cluj-Napoca, Romania
| | - Valentin Toma
- Department of Nanobiophysics, MedFuture Research Center for Advanced Medicine, Iuliu Hatieganu University of Medicine and Pharmacy, 4-6 Pasteur St., 400337 Cluj-Napoca, Romania
| | - Teodor Andrei Maghiar
- Faculty of Medicine and Pharmacy, University of Oradea, 1 Universitatii St., 410087 Oradea, Romania
| | - Nicolae Crișan
- Department of Urology, Medicover Hospital, 323T Principala St., 407062 Suceagu, Romania
- Faculty of Medicine, Iuliu Hatieganu University of Medicine and Pharmacy, 8 Victor Babes St., 400347 Cluj-Napoca, Romania
| | - Rareș-Ionuț Știufiuc
- Department of Nanobiophysics, MedFuture Research Center for Advanced Medicine, Iuliu Hatieganu University of Medicine and Pharmacy, 4-6 Pasteur St., 400337 Cluj-Napoca, Romania
- Nanotechnology Laboratory, TRANSCEND Research Center, Regional Institute of Oncology, 700483 Iași, Romania
- Department of Pharmaceutical Physics-Biophysics, Faculty of Pharmacy, Iuliu Hatieganu University of Medicine and Pharmacy, 6 Pasteur St., 400349 Cluj-Napoca, Romania
| | - Constantin Mihai Lucaciu
- Department of Pharmaceutical Physics-Biophysics, Faculty of Pharmacy, Iuliu Hatieganu University of Medicine and Pharmacy, 6 Pasteur St., 400349 Cluj-Napoca, Romania
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6
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Pang W, Xing Y, Morais CLM, Lao Q, Li S, Qiao Z, Li Y, Singh MN, Barauna VG, Martin FL, Zhang Z. Serum-based ATR-FTIR spectroscopy combined with multivariate analysis for the diagnosis of pre-diabetes and diabetes. Analyst 2024; 149:497-506. [PMID: 38063458 DOI: 10.1039/d3an01519j] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 01/16/2024]
Abstract
Diabetes mellitus (DM) is a metabolic disease with an increasing prevalence that is causing worldwide concern. The pre-diabetes stage is the only reversible stage in the patho-physiological process towards DM. Due to the limitations of traditional methods, the diagnosis and detection of DM and pre-diabetes are complicated, expensive, and time-consuming. Therefore, it would be of great benefit to develop a simple, rapid and inexpensive diagnostic test. Herein, the infrared (IR) spectra of serum samples from 111 DM patients, 111 pre-diabetes patients and 333 healthy volunteers were collected using attenuated total reflection Fourier-transform IR (ATR-FTIR) spectroscopy and this was combined with the multivariate analysis of principal component analysis linear discriminant analysis (PCA-LDA) to develop a discriminant model to verify the diagnostic potential of this approach. The study found that the accuracy of the test model established by ATR-FTIR spectroscopy combined with PCA-LDA was 97%, and the sensitivity and specificity were 100% and 100% in the control group, 94% and 98% in the pre-diabetes group, and 91% and 98% in the DM group, respectively. This indicates that this method can effectively diagnose DM and pre-diabetes, which has far-reaching clinical significance.
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Affiliation(s)
- Weiyi Pang
- Guangxi Key Laboratory of Environmental Exposomics and Entire Lifecycle Heath, Guilin Medical University, Guilin, 541199, Guangxi, China.
- School of Public Health, Guilin Medical University, Guilin, 541199, Guangxi, China
- School of Humanities and Management, Guilin Medical University, Guilin, 541199, Guangxi, China
| | - Yu Xing
- Guangxi Key Laboratory of Environmental Exposomics and Entire Lifecycle Heath, Guilin Medical University, Guilin, 541199, Guangxi, China.
- School of Public Health, Guilin Medical University, Guilin, 541199, Guangxi, China
| | - Camilo L M Morais
- Center for Education, Science and Technology of the Inhamuns Region, State University of Ceará, Tauá 63660-000, Brazil
| | - Qiufeng Lao
- Guangxi Key Laboratory of Environmental Exposomics and Entire Lifecycle Heath, Guilin Medical University, Guilin, 541199, Guangxi, China.
- School of Public Health, Guilin Medical University, Guilin, 541199, Guangxi, China
| | - Shengle Li
- Guangxi Key Laboratory of Environmental Exposomics and Entire Lifecycle Heath, Guilin Medical University, Guilin, 541199, Guangxi, China.
- School of Public Health, Guilin Medical University, Guilin, 541199, Guangxi, China
| | - Zipeng Qiao
- Guangxi Key Laboratory of Environmental Exposomics and Entire Lifecycle Heath, Guilin Medical University, Guilin, 541199, Guangxi, China.
- School of Public Health, Guilin Medical University, Guilin, 541199, Guangxi, China
| | - You Li
- Guangxi Key Laboratory of Environmental Exposomics and Entire Lifecycle Heath, Guilin Medical University, Guilin, 541199, Guangxi, China.
- School of Public Health, Guilin Medical University, Guilin, 541199, Guangxi, China
| | - Maneesh N Singh
- Biocel UK Ltd, Hull HU10 6TS, UK.
- Chesterfield Royal Hospital, Chesterfield Road, Calow, Chesterfield S44 5BL, UK
| | - Valério G Barauna
- Department of Physiological Sciences, Federal University of Espírito Santo, Vitoria, Brazil
| | - Francis L Martin
- Biocel UK Ltd, Hull HU10 6TS, UK.
- Department of Cellular Pathology, Blackpool Teaching Hospitals NHS Foundation Trust, Whinney Heys Road, Blackpool FY3 8NR, UK
| | - Zhiyong Zhang
- Guangxi Key Laboratory of Environmental Exposomics and Entire Lifecycle Heath, Guilin Medical University, Guilin, 541199, Guangxi, China.
- School of Public Health, Guilin Medical University, Guilin, 541199, Guangxi, China
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7
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Sarigul N, Bozatli L, Kurultak I, Korkmaz F. Using urine FTIR spectra to screen autism spectrum disorder. Sci Rep 2023; 13:19466. [PMID: 37945643 PMCID: PMC10636094 DOI: 10.1038/s41598-023-46507-z] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 05/30/2023] [Accepted: 11/01/2023] [Indexed: 11/12/2023] Open
Abstract
Autism spectrum disorder (ASD) is a heterogeneous neurodevelopmental disorder caused by multiple factors, lacking clear biomarkers. Diagnosing ASD still relies on behavioural and developmental signs and usually requires lengthy observation periods, all of which are demanding for both clinicians and parents. Although many studies have revealed valuable knowledge in this field, no clearly defined, practical, and widely acceptable diagnostic tool exists. In this study, 26 children with ASD (ASD+), aged 3-5 years, and 26 sex and age-matched controls are studied to investigate the diagnostic potential of the Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy. The urine FTIR spectrum results show a downward trend in the 3000-2600/cm region for ASD+ children when compared to the typically developing (TD) children of the same age. The average area of this region is 25% less in ASD+ level 3 children, 29% less in ASD+ level 2 children, and 16% less in ASD+ level 1 children compared to that of the TD children. Principal component analysis was applied to the two groups using the entire spectrum window and five peaks were identified for further analysis. The correlation between the peaks and natural urine components is validated by artificial urine solutions. Less-than-normal levels of uric acid, phosphate groups, and ammonium ([Formula: see text]) can be listed as probable causes. This study shows that ATR-FTIR can serve as a practical and non-invasive method to screen ASD using the high-frequency region of the urine spectrum.
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Affiliation(s)
- Neslihan Sarigul
- Institute of Nuclear Science, Hacettepe University, Ankara, Turkey.
| | - Leyla Bozatli
- Department of Child and Adolescent Psychiatry, Faculty of Medicine, Trakya University, Edirne, Turkey
| | - Ilhan Kurultak
- Department of Nephrology, Faculty of Medicine, Trakya University, Edirne, Turkey
| | - Filiz Korkmaz
- Biophysics Laboratory, Faculty of Engineering, Atilim University, Ankara, Turkey
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8
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Martin FL, Morais CLM, Dickinson AW, Saba T, Bongers T, Singh MN, Bury D. Point-of-Care Disease Screening in Primary Care Using Saliva: A Biospectroscopy Approach for Lung Cancer and Prostate Cancer. J Pers Med 2023; 13:1533. [PMID: 38003848 PMCID: PMC10672293 DOI: 10.3390/jpm13111533] [Citation(s) in RCA: 2] [Impact Index Per Article: 1.0] [Reference Citation Analysis] [Abstract] [Key Words] [Grants] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 09/27/2023] [Revised: 10/17/2023] [Accepted: 10/23/2023] [Indexed: 11/26/2023] Open
Abstract
Saliva is a largely unexplored liquid biopsy that can be readily obtained noninvasively. Not dissimilar to blood plasma or serum, it contains a vast array of bioconstituents that may be associated with the absence or presence of a disease condition. Given its ease of access, the use of saliva is potentially ideal in a point-of-care screening or diagnostic test. Herein, we developed a swab "dip" test in saliva obtained from consenting patients participating in a lung cancer-screening programme being undertaken in north-west England. A total of 998 saliva samples (31 designated as lung-cancer positive and 17 as prostate-cancer positive) were taken in the order in which they entered the clinic (i.e., there was no selection of participants) during the course of this prospective screening programme. Samples (sterile Copan blue rayon swabs dipped in saliva) were analysed using attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy. In addition to unsupervised classification on resultant infrared (IR) spectra using principal component analysis (PCA), a range of feature selection/extraction algorithms were tested. Following preprocessing, the data were split between training (70% of samples, 22 lung-cancer positive versus 664 other) and test (30% of samples, 9 lung-cancer positive versus 284 other) sets. The training set was used for model construction and the test set was used for validation. The best model was the PCA-quadratic discriminant analysis (QDA) algorithm. This PCA-QDA model was built using 8 PCs (90.4% of explained variance) and resulted in 93% accuracy for training and 91% for testing, with clinical sensitivity at 100% and specificity at 91%. Additionally, for prostate cancer patients amongst the male cohort (n = 585), following preprocessing, the data were split between training (70% of samples, 12 prostate-cancer positive versus 399 other) and test (30% of samples, 5 prostate-cancer positive versus 171 other) sets. A PCA-QDA model, again the best model, was built using 5 PCs (84.2% of explained variance) and resulted in 97% accuracy for training and 93% for testing, with clinical sensitivity at 100% and specificity at 92%. These results point to a powerful new approach towards the capability to screen large cohorts of individuals in primary care settings for underlying malignant disease.
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Affiliation(s)
- Francis L. Martin
- Biocel UK Ltd., Hull HU10 6TS, UK;
- Department of Cellular Pathology, Blackpool Teaching Hospitals NHS Foundation Trust, Whinney Heys Road, Blackpool FY3 8NR, UK; (A.W.D.); (T.S.); (T.B.)
| | - Camilo L. M. Morais
- Center for Education, Science and Technology of the Inhamuns Region, State University of Ceará, Tauá 63660-000, Brazil;
| | - Andrew W. Dickinson
- Department of Cellular Pathology, Blackpool Teaching Hospitals NHS Foundation Trust, Whinney Heys Road, Blackpool FY3 8NR, UK; (A.W.D.); (T.S.); (T.B.)
| | - Tarek Saba
- Department of Cellular Pathology, Blackpool Teaching Hospitals NHS Foundation Trust, Whinney Heys Road, Blackpool FY3 8NR, UK; (A.W.D.); (T.S.); (T.B.)
| | - Thomas Bongers
- Department of Cellular Pathology, Blackpool Teaching Hospitals NHS Foundation Trust, Whinney Heys Road, Blackpool FY3 8NR, UK; (A.W.D.); (T.S.); (T.B.)
| | - Maneesh N. Singh
- Biocel UK Ltd., Hull HU10 6TS, UK;
- Chesterfield Royal Hospital, Chesterfield Road, Calow, Chesterfield S44 5BL, UK
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9
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Maitra I, Morais CLM, Lima KMG, Ashton KM, Bury D, Date RS, Martin FL. Attenuated Total Reflection Fourier-Transform Infrared Spectral Discrimination in Human Tissue of Oesophageal Transformation to Adenocarcinoma. J Pers Med 2023; 13:1277. [PMID: 37623527 PMCID: PMC10455976 DOI: 10.3390/jpm13081277] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 05/30/2023] [Revised: 08/11/2023] [Accepted: 08/17/2023] [Indexed: 08/26/2023] Open
Abstract
This study presents ATR-FTIR (attenuated total reflectance Fourier-transform infrared) spectral analysis of ex vivo oesophageal tissue including all classifications to oesophageal adenocarcinoma (OAC). The article adds further validation to previous human tissue studies identifying the potential for ATR-FTIR spectroscopy in differentiating among all classes of oesophageal transformation to OAC. Tissue spectral analysis used principal component analysis quadratic discriminant analysis (PCA-QDA), successive projection algorithm quadratic discriminant analysis (SPA-QDA), and genetic algorithm quadratic discriminant analysis (GA-QDA) algorithms for variable selection and classification. The variables selected by SPA-QDA and GA-QDA discriminated tissue samples from Barrett's oesophagus (BO) to OAC with 100% accuracy on the basis of unique spectral "fingerprints" of their biochemical composition. Accuracy test results including sensitivity and specificity were determined. The best results were obtained with PCA-QDA, where tissues ranging from normal to OAC were correctly classified with 90.9% overall accuracy (71.4-100% sensitivity and 89.5-100% specificity), including the discrimination between normal and inflammatory tissue, which failed in SPA-QDA and GA-QDA. All the models revealed excellent results for distinguishing among BO, low-grade dysplasia (LGD), high-grade dysplasia (HGD), and OAC tissues (100% sensitivities and specificities). This study highlights the need for further work identifying potential biochemical markers using ATR-FTIR in tissue that could be utilised as an adjunct to histopathological diagnosis for early detection of neoplastic changes in susceptible epithelium.
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Affiliation(s)
- Ishaan Maitra
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston PR1 2HE, UK
| | - Camilo L. M. Morais
- Institute of Chemistry, Biological Chemistry and Chemometrics, Federal University of Rio Grande do Norte, Natal 59078-970, Brazil; (C.L.M.M.); (K.M.G.L.)
- Center for Education, Science and Technology of the Inhamuns Region, State University of Ceará, Tauá 63660-000, Brazil
| | - Kássio M. G. Lima
- Institute of Chemistry, Biological Chemistry and Chemometrics, Federal University of Rio Grande do Norte, Natal 59078-970, Brazil; (C.L.M.M.); (K.M.G.L.)
| | - Katherine M. Ashton
- Lancashire Teaching Hospitals NHS Foundation Trust, Royal Preston Hospital, Preston PR2 9HT, UK; (K.M.A.); (R.S.D.)
| | - Danielle Bury
- Department of Cellular Pathology, Blackpool Teaching Hospitals NHS Foundation Trust, Blackpool FY3 8NR, UK;
| | - Ravindra S. Date
- Lancashire Teaching Hospitals NHS Foundation Trust, Royal Preston Hospital, Preston PR2 9HT, UK; (K.M.A.); (R.S.D.)
| | - Francis L. Martin
- Department of Cellular Pathology, Blackpool Teaching Hospitals NHS Foundation Trust, Blackpool FY3 8NR, UK;
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10
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Zniber M, Vahdatiyekta P, Huynh TP. Analysis of urine using electronic tongue towards non-invasive cancer diagnosis. Biosens Bioelectron 2023; 219:114810. [PMID: 36272349 DOI: 10.1016/j.bios.2022.114810] [Citation(s) in RCA: 3] [Impact Index Per Article: 1.5] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 10/01/2021] [Revised: 04/27/2022] [Accepted: 10/11/2022] [Indexed: 11/06/2022]
Abstract
Electronic tongues (e-tongues) have been broadly employed in monitoring the quality of food, beverage, cosmetics, and pharmaceutical products, and in diagnosis of diseases, as the e-tongues can discriminate samples of high complexity, reduce interference of the matrix, offer rapid response. Compared to other analytical approaches using expensive and complex instrumentation as well as required sample preparation, the e-tongue is non-destructive, miniaturizable and on-site method with little or no preparation of samples. Even though e-tongues are successfully commercialized, their application in cancer diagnosis from urine samples is underestimated. In this review, we would like to highlight the various analytical techniques such as Raman spectroscopy, infrared spectroscopy, fluorescence spectroscopy, and electrochemical methods (potentiometry and voltammetry) used as e-tongues for urine analysis towards non-invasive cancer diagnosis. Besides, different machine learning approaches, for instance, supervised and unsupervised learning algorithms are introduced to analyze extracted chemical data. Finally, capabilities of e-tongues in distinguishing between patients diagnosed with cancer and healthy controls are highlighted.
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Affiliation(s)
- Mohammed Zniber
- Laboratory of Molecular Science and Engineering, Åbo Akademi University, 20500, Turku, Finland
| | - Parastoo Vahdatiyekta
- Laboratory of Molecular Science and Engineering, Åbo Akademi University, 20500, Turku, Finland
| | - Tan-Phat Huynh
- Laboratory of Molecular Science and Engineering, Åbo Akademi University, 20500, Turku, Finland.
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11
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Tkachenko K, Esteban-Díez I, González-Sáiz JM, Pérez-Matute P, Pizarro C. Dual Classification Approach for the Rapid Discrimination of Metabolic Syndrome by FTIR. BIOSENSORS 2022; 13:15. [PMID: 36671850 PMCID: PMC9855898 DOI: 10.3390/bios13010015] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Figures] [Subscribe] [Scholar Register] [Received: 11/04/2022] [Revised: 12/12/2022] [Accepted: 12/21/2022] [Indexed: 06/17/2023]
Abstract
Metabolic syndrome is a complex of interrelated risk factors for cardiovascular disease and diabetes. Thus, new point-of-care diagnostic tools are essential for unambiguously distinguishing MetS patients, providing results in rapid time. Herein, we evaluated the potential of Fourier transform infrared spectroscopy combined with chemometric tools to detect spectra markers indicative of metabolic syndrome. Around 105 plasma samples were collected and divided into two groups according to the presence of at least three of the five clinical parameters used for MetS diagnosis. A dual classification approach was studied based on selecting the most important spectral variable and classification methods, linear discriminant analysis (LDA) and SIMCA class modelling, respectively. The same classification methods were applied to measured clinical parameters at our disposal. Thus, the classification's performance on reduced spectra fingerprints and measured clinical parameters were compared. Both approaches achieved excellent discrimination results among groups, providing almost 100% accuracy. Nevertheless, SIMCA class modelling showed higher classification performance between MetS and no MetS for IR-reduced variables compared to clinical variables. We finally discuss the potential of this method to be used as a supportive diagnostic or screening tool in clinical routines.
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Affiliation(s)
| | | | | | - Patricia Pérez-Matute
- Infectious Diseases, Microbiota and Metabolism Unit, Infectious Diseases Department, Center for Biomedical Research of La Rioja (CIBIR), 26006 Logroño, Spain
| | - Consuelo Pizarro
- Department of Chemistry, University of La Rioja, 26006 Logroño, Spain
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12
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Urinalysis of individuals with renal hyperfiltration using ATR-FTIR spectroscopy. Sci Rep 2022; 12:20887. [PMID: 36463336 PMCID: PMC9719484 DOI: 10.1038/s41598-022-25535-1] [Citation(s) in RCA: 1] [Impact Index Per Article: 0.3] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/28/2022] [Accepted: 11/30/2022] [Indexed: 12/04/2022] Open
Abstract
Abnormal increased glomerular filtration rate (GFR), otherwise known as renal hyperfiltration (RHf), is associated with an increased risk of chronic kidney disease and cardiovascular mortality. Although it is not considered as a disease alone in medicine today, early detection of RHf is essential to reducing risk in a timely manner. However, detecting RHf is a challenge since it does not have a practical biochemical marker that can be followed or quantified. In this study, we tested the ability of ATR-FTIR spectroscopy to distinguish 17 individuals with RHf (hyperfiltraters; RHf (+)), from 20 who have normal GFR (normofiltraters; RHf(-)), using urine samples. Spectra collected from hyperfiltraters were significantly different from the control group at positions 1621, 1390, 1346, 933 and 783/cm. Intensity changes at these positions could be followed directly from the absorbance spectra without the need for pre-processing. They were tentatively attributed to urea, citrate, creatinine, phosphate groups, and uric acid, respectively. Using principal component analysis (PCA), major peaks of the second derivative forms for the classification of two groups were determined. Peaks at 1540, 1492, 1390, 1200, 1000 and 840/cm were significantly different between the two groups. Statistical analysis showed that the spectra of normofiltraters are similar; however, those of hyperfiltraters show diversity at multiple positions that can be observed both from the absorbance spectra and the second derivative profiles. This observation implies that RHf can simultaneously affect the excretion of many substances, and that a spectroscopic analysis of urine can be used as a rapid and non-invasive pre-screening tool.
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13
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Rapid and sensitive detection of esophageal cancer by FTIR spectroscopy of serum and plasma. Photodiagnosis Photodyn Ther 2022; 40:103177. [PMID: 36602070 DOI: 10.1016/j.pdpdt.2022.103177] [Citation(s) in RCA: 10] [Impact Index Per Article: 3.3] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 09/10/2022] [Revised: 10/21/2022] [Accepted: 10/26/2022] [Indexed: 11/11/2022]
Abstract
Fourier transform infrared (FTIR) spectroscopy, as a platform technology for cancer detection, must be up to the challenge of clinical transformation. To this end, detection of esophageal squamous cell carcinoma (ESCC) was hereby explored using serum and plasma scrape-coated on barium fluoride (BaF2) disk by transmission FTIR method, and the classification model was built using six multivariate statistical analyses, including support vector machine (SVM), principal component linear discriminant analysis (PC-LDA), decision tree (DT), k-nearest neighbor (KNN) classification, ensemble algorithms (EA) and partial least squares for discriminant analysis (PLS-DA). All statistical analyses methods demonstrated that late-stage cancer could be well classified from healthy people employing either serum or plasma with different anticoagulants. Resulting PC-LDA model differentiated late-stage cancer from normal group with an accuracy of 99.26%, a sensitivity of 98.53%, and a specificity of 100%. The accuracy and sensitivity reached 97.08% and 91.43%, respectively for early-stage cancer discrimination from normal group. This pilot exploration demonstrated that transmission FTIR provided a rapid, cost effective and sensitive method for ESCC diagnosis using either serum or plasma.
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14
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Yang X, Ou Q, Yang W, Shi Y, Liu G. Diagnosis of liver cancer by FTIR spectra of serum. SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 2021; 263:120181. [PMID: 34311164 DOI: 10.1016/j.saa.2021.120181] [Citation(s) in RCA: 19] [Impact Index Per Article: 4.8] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Subscribe] [Scholar Register] [Received: 04/15/2021] [Revised: 06/10/2021] [Accepted: 07/09/2021] [Indexed: 06/13/2023]
Abstract
Liver cancer is the most common fatal malignant tumor in the world. Early diagnosis of liver cancer can improve the survival rate of the patients with liver disease. In this paper, Fourier transform infrared (FTIR) spectroscopy combined with curve fitting and chemometrics was used to distinguish the serum from patients from that of healthy people. The curve fitting results in protein range of 1700-1600 cm-1 showed that there were differences in the secondary structure of protein in serum between the patients with liver cancer and healthy people. Principal component analysis (PCA) in lipid range of 2900-2800 cm-1 could distinguish the serum of patients with liver cancer from that of healthy people. The first two principal components PC1 and PC2 explained 95% of the total data variance. The sensitivity and specificity of partial least squares discriminant analysis (PLS-DA) in lipid range of 2900-2800 cm-1 reached 92.85% and 95.23% respectively. It is shown that FTIR spectroscopy might be developed as an effective method for the diagnosis of liver cancer.
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Affiliation(s)
- Xien Yang
- School of Physics and Electronic Information, Yunnan Normal University, Kunming 650500, China
| | - Quanhong Ou
- School of Physics and Electronic Information, Yunnan Normal University, Kunming 650500, China
| | - Weiye Yang
- School of Preclinical Medicine, Zunyi Medical University, Zunyi 563003, China
| | - Youming Shi
- School of Physics and Electronic Engineering, Qujing Normal University, Qujing 655011, China
| | - Gang Liu
- School of Physics and Electronic Information, Yunnan Normal University, Kunming 650500, China.
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15
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Guo Y, Hu C, Xia B, Zhou X, Luo S, Gan R, Duan P, Tan Y. Iodine excess induces hepatic, renal and pancreatic injury in female mice as determined by attenuated total reflection Fourier-transform infrared spectrometry. J Appl Toxicol 2021; 42:600-616. [PMID: 34585417 DOI: 10.1002/jat.4242] [Citation(s) in RCA: 4] [Impact Index Per Article: 1.0] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 05/12/2021] [Revised: 08/23/2021] [Accepted: 09/05/2021] [Indexed: 11/08/2022]
Abstract
Limited knowledge of the long-term effects of excessive iodine (EI) intake on biomolecular signatures in the liver/pancreas/kidney prompted this study. Herein, following 6 months of exposure in mice to 300, 600, 1200 or 2400 μg/L iodine, the biochemical signature of alterations to the liver/pancreas/kidney was profiled using attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy coupled with principal component analysis-linear discriminant analysis (PCA-LDA). Our research showed that serum alanine aminotransferase (ALT), aspartate aminotransferase (AST), blood urea nitrogen (BUN), serum creatinine (Scr), insulin, blood glucose levels and homeostasis model assessment for insulin resistance (HOMA-IR) index in the 1200 and 2400 μg/L iodine-treated groups were significantly increased compared with those in the control group. Moreover, histological analysis showed that the liver/kidney/pancreas tissues of mice exposed to EI treatment displayed substantial morphological abnormalities, such as a loss of hepatic architecture, glomerular cell vacuolation and pancreatic neutrophilic infiltration. Notably, EI treatment caused distinct biochemical signature segregation between EI-exposed versus the control liver/pancreas/kidney. The main biochemical alterations between EI-exposed and control groups were observed for protein phosphorylation, protein secondary structures and lipids. The ratios of amide I-to-amide II (1674 cm-1 /1570 cm-1 ), α-helix-to-β-sheet (1657 cm-1 /1635 cm-1 ), glycogen-to-phosphate (1030 cm-1 /1086 cm-1 ) and the peptide aggregation (1 630 cm-1 /1650 cm-1 ) level of EI-treated groups significantly differed from the control group. Our study demonstrated that EI induced hepatic, renal and pancreatic injury by disturbing the structure, metabolism and function of the cell membrane. This finding provides the new method and implication for human health assessment regarding long-term EI intake.
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Affiliation(s)
- Yang Guo
- Key Laboratory of Zebrafish Modeling and Drug Screening for Human Diseases of Xiangyang City, Department of Obstetrics and Gynaecology, Xiangyang No.1 People's Hospital, Hubei University of Medicine, Xiangyang, China.,College of Pharmacy, Hubei University of Medicine, Shiyan, Hubei, China
| | - Chunhui Hu
- Department of Clinical Laboratory, Xiangyang No.1 People's Hospital, Hubei University of Medicine, Xiangyang, China
| | - Bintong Xia
- Department of Urology, Xiangyang No.1 People's Hospital, Hubei University of Medicine, Xiangyang, China
| | - Xianwen Zhou
- Fourth Clinical College, Hubei University of Medicine, Shiyan, China
| | - Sihan Luo
- Fourth Clinical College, Hubei University of Medicine, Shiyan, China
| | - Ruijia Gan
- Fourth Clinical College, Hubei University of Medicine, Shiyan, China
| | - Peng Duan
- Key Laboratory of Zebrafish Modeling and Drug Screening for Human Diseases of Xiangyang City, Department of Obstetrics and Gynaecology, Xiangyang No.1 People's Hospital, Hubei University of Medicine, Xiangyang, China
| | - Yan Tan
- Hubei Key Laboratory of Embryonic Stem Cell Research, Hubei University of Medicine, Shiyan, Hubei, China.,Department of Andrology, Renmin Hospital, Hubei University of Medicine, Shiyan, Hubei, China
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16
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Keogan A, Nguyen TNQ, Phelan JJ, O'Farrell N, Lynam‐Lennon N, Doyle B, O'Toole D, Reynolds JV, O'Sullivan J, Meade AD. Chemical imaging and machine learning for sub‐classification of oesophageal tissue histology. TRANSLATIONAL BIOPHOTONICS 2021. [DOI: 10.1002/tbio.202100004] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 11/06/2022] Open
Affiliation(s)
- Abigail Keogan
- Radiation and Environmental Science Centre Focas Research Institute, Technological University Dublin Dublin Ireland
| | - Thi Nguyet Que Nguyen
- Radiation and Environmental Science Centre Focas Research Institute, Technological University Dublin Dublin Ireland
- School of Physics and Clinical and Optometric Sciences Technological University Dublin Dublin Ireland
| | - James J. Phelan
- Department of Surgery Trinity Translational Medicine Institute, Trinity College Dublin Dublin Ireland
| | - Naoimh O'Farrell
- Department of Surgery Trinity Translational Medicine Institute, Trinity College Dublin Dublin Ireland
| | - Niamh Lynam‐Lennon
- Department of Surgery Trinity Translational Medicine Institute, Trinity College Dublin Dublin Ireland
| | - Brendan Doyle
- Department of Histopathology Beaumont Hospital Dublin Ireland
| | - Dermot O'Toole
- School of Clinical Medicine Trinity College Dublin Dublin Ireland
| | - John V. Reynolds
- Department of Surgery Trinity Translational Medicine Institute, Trinity College Dublin Dublin Ireland
| | - Jacintha O'Sullivan
- Department of Surgery Trinity Translational Medicine Institute, Trinity College Dublin Dublin Ireland
| | - Aidan D. Meade
- Radiation and Environmental Science Centre Focas Research Institute, Technological University Dublin Dublin Ireland
- School of Physics and Clinical and Optometric Sciences Technological University Dublin Dublin Ireland
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17
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Durlik-Popińska K, Żarnowiec P, Konieczna-Kwinkowska I, Lechowicz Ł, Gawęda J, Kaca W. Correlations between autoantibodies and the ATR-FTIR spectra of sera from rheumatoid arthritis patients. Sci Rep 2021; 11:17886. [PMID: 34504137 PMCID: PMC8429563 DOI: 10.1038/s41598-021-96848-w] [Citation(s) in RCA: 6] [Impact Index Per Article: 1.5] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Grants] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/14/2021] [Accepted: 08/11/2021] [Indexed: 02/07/2023] Open
Abstract
Rheumatoid arthritis (RA) is one of the most common autoimmune diseases worldwide. Due to high heterogeneity in disease manifestation, accurate and fast diagnosis of RA is difficult. This study analyzed the potential relationship between the infrared (IR) spectra obtained by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) and the presence of autoantibodies and antibodies against urease in sera. Additionally, the wave number of the IR spectrum that enabled the best differentiation between patients and healthy blood donors was investigated. Using a mathematical model involving principal component analysis and discriminant analysis, it was shown that the presence of anti-citrullinated protein antibody, rheumatoid factor, anti-neutrophil cytoplasmic antibodies, and anti-nuclear antibodies correlated significantly with the wave numbers in the IR spectra of the tested sera. The most interesting findings derived from determination of the best predictors for distinguishing RA. Characteristic features included an increased reaction with urease mimicking peptides and a correspondence with particular nucleic acid bands. Taken together, the results demonstrated the potential application of ATR-FTIR in the study of RA and identified potential novel markers of the disease.
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Affiliation(s)
- Katarzyna Durlik-Popińska
- Department of Microbiology and Parasitology, Institute of Biology, Jan Kochanowski University in Kielce, Kielce, Poland.
| | - Paulina Żarnowiec
- Department of Microbiology and Parasitology, Institute of Biology, Jan Kochanowski University in Kielce, Kielce, Poland
| | | | - Łukasz Lechowicz
- Department of Microbiology and Parasitology, Institute of Biology, Jan Kochanowski University in Kielce, Kielce, Poland
| | | | - Wiesław Kaca
- Department of Microbiology and Parasitology, Institute of Biology, Jan Kochanowski University in Kielce, Kielce, Poland
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18
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Mabwa D, Gajjar K, Furniss D, Schiemer R, Crane R, Fallaize C, Martin-Hirsch PL, Martin FL, Kypraios T, Seddon AB, Phang S. Mid-infrared spectral classification of endometrial cancer compared to benign controls in serum or plasma samples. Analyst 2021; 146:5631-5642. [PMID: 34378554 DOI: 10.1039/d1an00833a] [Citation(s) in RCA: 10] [Impact Index Per Article: 2.5] [Reference Citation Analysis] [Abstract] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 01/05/2023]
Abstract
This study demonstrates a discrimination of endometrial cancer versus (non-cancerous) benign controls based on mid-infrared (MIR) spectroscopy of dried plasma or serum liquid samples. A detailed evaluation was performed using four discriminant methods (LDA, QDA, kNN or SVM) to execute the classification task. The discriminant methods used in the study comprised methods that are widely used in the statistics (LDA and QDA) and machine learning literature (kNN and SVM). Of particular interest, is the impact of discrimination when presented with spectral data from a section of the bio-fingerprint region (1430 cm-1 to 900 cm-1) in contrast to the more extended bio-fingerprint region used here (1800 cm-1 to 900 cm-1). Quality metrics used were the misclassification rate, sensitivity, specificity, and Matthew's correlation coefficient (MCC). For plasma (with spectral data ranging from 1430 cm-1 to 900 cm-1), the best performing classifier was kNN, which achieved a sensitivity, specificity and MCC of 0.865 ± 0.043, 0.865 ± 0.023 and 0.762 ± 0.034, respectively. For serum (in the same wavenumber range), the best performing classifier was LDA, achieving a sensitivity, specificity and MCC of 0.899 ± 0.023, 0.763 ± 0.048 and 0.664 ± 0.067, respectively. For plasma (with spectral data ranging from 1800 cm-1 to 900 cm-1), the best performing classifier was SVM, with a sensitivity, specificity and MCC of 0.993 ± 0.010, 0.815 ± 0.000 and 0.815 ± 0.010, respectively. For serum (in the same wavenumber range), QDA performed best achieving a sensitivity, specificity and MCC of 0.852 ± 0.023, 0.700 ± 0.162 and 0.557 ± 0.012, respectively. Our findings demonstrate that even when a section of the bio-fingerprint region has been removed, good classification of endometrial cancer versus non-cancerous controls is still maintained. These findings suggest the potential of a MIR screening tool for endometrial cancer screening.
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Affiliation(s)
- David Mabwa
- Mid-Infrared Photonics Group, George Green Institute for Electromagnetics' Research, Faculty of Engineering, University of Nottingham, Nottingham NG7 2RD, UK.
| | - Ketankumar Gajjar
- Obstetrics and Gynaecology, Nottingham University Hospitals NHS Trust - City Campus, Nottingham City Hospital, Hucknall Road, Nottingham, NG5 1PB, UK
| | - David Furniss
- Mid-Infrared Photonics Group, George Green Institute for Electromagnetics' Research, Faculty of Engineering, University of Nottingham, Nottingham NG7 2RD, UK.
| | - Roberta Schiemer
- Obstetrics and Gynaecology, Nottingham University Hospitals NHS Trust - City Campus, Nottingham City Hospital, Hucknall Road, Nottingham, NG5 1PB, UK
| | - Richard Crane
- Mid-Infrared Photonics Group, George Green Institute for Electromagnetics' Research, Faculty of Engineering, University of Nottingham, Nottingham NG7 2RD, UK.
| | - Christopher Fallaize
- School of Mathematical Sciences, The Mathematical Sciences Building, University Park, University of Nottingham, NG7 2RD, UK
| | | | | | - Theordore Kypraios
- School of Mathematical Sciences, The Mathematical Sciences Building, University Park, University of Nottingham, NG7 2RD, UK
| | - Angela B Seddon
- Mid-Infrared Photonics Group, George Green Institute for Electromagnetics' Research, Faculty of Engineering, University of Nottingham, Nottingham NG7 2RD, UK.
| | - Sendy Phang
- Mid-Infrared Photonics Group, George Green Institute for Electromagnetics' Research, Faculty of Engineering, University of Nottingham, Nottingham NG7 2RD, UK.
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19
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ATR-FTIR spectroscopy probing of structural alterations in the cellular membrane of abscopal liver cells. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES 2021; 1863:183726. [PMID: 34375629 DOI: 10.1016/j.bbamem.2021.183726] [Citation(s) in RCA: 1] [Impact Index Per Article: 0.3] [Reference Citation Analysis] [Abstract] [Key Words] [Subscribe] [Scholar Register] [Received: 06/22/2021] [Revised: 08/03/2021] [Accepted: 08/04/2021] [Indexed: 12/12/2022]
Abstract
In this study, we utilize ATR-FTIR spectroscopy to investigate the structural damages in the cell membrane lipids and proteins as a result of the oxidative stress in abscopal liver tissue of rats either whole-body, cranially or lower limb irradiated as compared with sham-irradiated group. We also question whether the original irradiation region would influence the induction of the abscopal effect. The data present compelling evidence that an abscopal effect was induced in the liver tissue following both cranial and lower limb irradiations, marked by damage in the membrane-associated lipids and proteins. Lipid damage manifestation is evident by; 1) decrease in the lipid/protein ratio. 2) Degradation of lipid as marked by the decrease in the area ratio CH 2 asymmetric/CH 3 asymmetric stretching bands. 3) Increase in the carbonyl content evident by the increase in the band area ratio of carbonyl ester/lipid. 4) Increase in the degree of methylation as indicated by the increase in the band area ratio of CH3/lipid. 5) Disorder in the phospholipid acyl chains marked by the shift in the CH2 asymmetric stretching and olefinic HCCH absorption bands. Protein damage was indicated by 1) Shifts in the position of amide I and amide II bands. 2) Decrease in the area ratio amide I/amide II. 3) Broadening in amide II band. Our data strongly suggest similar induction of the abscopal effect as a result of either cranial or lower limb irradiation, which means that the original irradiation region did not influence the induced abscopal effect in the examined system.
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20
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Voronina L, Leonardo C, Mueller‐Reif JB, Geyer PE, Huber M, Trubetskov M, Kepesidis KV, Behr J, Mann M, Krausz F, Žigman M. Molecular Origin of Blood‐Based Infrared Spectroscopic Fingerprints**. Angew Chem Int Ed Engl 2021. [DOI: 10.1002/ange.202103272] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 11/09/2022]
Affiliation(s)
- Liudmila Voronina
- Department of Physics Ludwig Maximilian University of Munich 85748 Garching Germany
- Max Planck Institute of Quantum Optics 85748 Garching Germany
| | - Cristina Leonardo
- Department of Physics Ludwig Maximilian University of Munich 85748 Garching Germany
- Max Planck Institute of Quantum Optics 85748 Garching Germany
| | - Johannes B. Mueller‐Reif
- Department of Proteomics and Signal Transduction Max Planck Institute of Biochemistry 82152 Martinsried Germany
- OmicEra Diagnostics GmbH 82152 Planegg Germany
| | - Philipp E. Geyer
- Department of Proteomics and Signal Transduction Max Planck Institute of Biochemistry 82152 Martinsried Germany
- Novo Nordisk Foundation Center for Protein Research Faculty of Health Sciences University of Copenhagen 2200 Copenhagen Denmark
- OmicEra Diagnostics GmbH 82152 Planegg Germany
| | - Marinus Huber
- Department of Physics Ludwig Maximilian University of Munich 85748 Garching Germany
- Max Planck Institute of Quantum Optics 85748 Garching Germany
| | | | - Kosmas V. Kepesidis
- Department of Physics Ludwig Maximilian University of Munich 85748 Garching Germany
| | - Jürgen Behr
- Comprehensive Pneumology Center Department of Internal Medicine V Clinic of the Ludwig Maximilians University Munich (LMU), Member of the German Center for Lung Research Germany
| | - Matthias Mann
- Department of Proteomics and Signal Transduction Max Planck Institute of Biochemistry 82152 Martinsried Germany
- Novo Nordisk Foundation Center for Protein Research Faculty of Health Sciences University of Copenhagen 2200 Copenhagen Denmark
| | - Ferenc Krausz
- Department of Physics Ludwig Maximilian University of Munich 85748 Garching Germany
- Max Planck Institute of Quantum Optics 85748 Garching Germany
| | - Mihaela Žigman
- Department of Physics Ludwig Maximilian University of Munich 85748 Garching Germany
- Max Planck Institute of Quantum Optics 85748 Garching Germany
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21
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Voronina L, Leonardo C, Mueller‐Reif JB, Geyer PE, Huber M, Trubetskov M, Kepesidis KV, Behr J, Mann M, Krausz F, Žigman M. Molecular Origin of Blood-Based Infrared Spectroscopic Fingerprints*. Angew Chem Int Ed Engl 2021; 60:17060-17069. [PMID: 33881784 PMCID: PMC8361728 DOI: 10.1002/anie.202103272] [Citation(s) in RCA: 12] [Impact Index Per Article: 3.0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 03/05/2021] [Revised: 03/30/2021] [Indexed: 12/17/2022]
Abstract
Infrared spectroscopy of liquid biopsies is a time- and cost-effective approach that may advance biomedical diagnostics. However, the molecular nature of disease-related changes of infrared molecular fingerprints (IMFs) remains poorly understood, impeding the method's applicability. Here we probe 148 human blood sera and reveal the origin of the variations in their IMFs. To that end, we supplemented infrared spectroscopy with biochemical fractionation and proteomic profiling, providing molecular information about serum composition. Using lung cancer as an example of a medical condition, we demonstrate that the disease-related differences in IMFs are dominated by contributions from twelve highly abundant proteins-that, if used as a pattern, may be instrumental for detecting malignancy. Tying proteomic to spectral information and machine learning advances our understanding of the infrared spectra of liquid biopsies, a framework that could be applied to probing of any disease.
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Affiliation(s)
- Liudmila Voronina
- Department of PhysicsLudwig Maximilian University of Munich85748GarchingGermany
- Max Planck Institute of Quantum Optics85748GarchingGermany
| | - Cristina Leonardo
- Department of PhysicsLudwig Maximilian University of Munich85748GarchingGermany
- Max Planck Institute of Quantum Optics85748GarchingGermany
| | - Johannes B. Mueller‐Reif
- Department of Proteomics and Signal TransductionMax Planck Institute of Biochemistry82152MartinsriedGermany
- OmicEra Diagnostics GmbH82152PlaneggGermany
| | - Philipp E. Geyer
- Department of Proteomics and Signal TransductionMax Planck Institute of Biochemistry82152MartinsriedGermany
- Novo Nordisk Foundation Center for Protein ResearchFaculty of Health SciencesUniversity of Copenhagen2200CopenhagenDenmark
- OmicEra Diagnostics GmbH82152PlaneggGermany
| | - Marinus Huber
- Department of PhysicsLudwig Maximilian University of Munich85748GarchingGermany
- Max Planck Institute of Quantum Optics85748GarchingGermany
| | | | - Kosmas V. Kepesidis
- Department of PhysicsLudwig Maximilian University of Munich85748GarchingGermany
| | - Jürgen Behr
- Comprehensive Pneumology CenterDepartment of Internal Medicine VClinic of the Ludwig Maximilians University Munich (LMU), Member of the German Center for Lung ResearchGermany
| | - Matthias Mann
- Department of Proteomics and Signal TransductionMax Planck Institute of Biochemistry82152MartinsriedGermany
- Novo Nordisk Foundation Center for Protein ResearchFaculty of Health SciencesUniversity of Copenhagen2200CopenhagenDenmark
| | - Ferenc Krausz
- Department of PhysicsLudwig Maximilian University of Munich85748GarchingGermany
- Max Planck Institute of Quantum Optics85748GarchingGermany
| | - Mihaela Žigman
- Department of PhysicsLudwig Maximilian University of Munich85748GarchingGermany
- Max Planck Institute of Quantum Optics85748GarchingGermany
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22
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Sarigul N, Kurultak İ, Uslu Gökceoğlu A, Korkmaz F. Urine analysis using FTIR spectroscopy: A study on healthy adults and children. JOURNAL OF BIOPHOTONICS 2021; 14:e202100009. [PMID: 33768707 DOI: 10.1002/jbio.202100009] [Citation(s) in RCA: 7] [Impact Index Per Article: 1.8] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Subscribe] [Scholar Register] [Received: 01/05/2021] [Revised: 03/23/2021] [Accepted: 03/23/2021] [Indexed: 06/12/2023]
Abstract
Urine spectra from 108 healthy volunteers are studied by attenuated total refraction-Fourier transform infrared (ATR-FTIR) spectroscopy. The spectral features are correlated with observable urine components. The variation of spectra within a healthy population is quantified and a library of reference spectra is constructed. Using the band assignments, these spectra are compared with both age-wise and gender-wise. Children show the least intensity variations compared to both adult groups. Young adults show the highest variation, particularly in the 1650 to 1400 cm-1 and 1200 to 900 cm-1 regions. These results indicate the importance of the size of the control group in comparative studies utilizing FTIR. Age-wise comparisons reveal that phosphate and sulfate excretion decreases with age, and that the variance of phosphate among individuals is higher with adults. As for gender-wise comparisons, females show a slightly higher citrate content at 1390 cm-1 regardless of the age and they show a higher variance in the 1200 to 1000 cm-1 region when compared to men.
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Affiliation(s)
- Neslihan Sarigul
- Institute of Nuclear Science, Hacettepe University, Ankara, Turkey
| | - İlhan Kurultak
- Department of Nephrology, Faculty of Medicine, Trakya University, Edirne, Turkey
| | - Arife Uslu Gökceoğlu
- Ankara Training and Research Hospital, University of Health Sciences, Ankara, Turkey
| | - Filiz Korkmaz
- Biophysics Laboratory, Faculty of Engineering, Atilim University, Ankara, Turkey
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23
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Giamougiannis P, Morais CLM, Rodriguez B, Wood NJ, Martin-Hirsch PL, Martin FL. Detection of ovarian cancer (± neo-adjuvant chemotherapy effects) via ATR-FTIR spectroscopy: comparative analysis of blood and urine biofluids in a large patient cohort. Anal Bioanal Chem 2021; 413:5095-5107. [PMID: 34195877 PMCID: PMC8405472 DOI: 10.1007/s00216-021-03472-8] [Citation(s) in RCA: 16] [Impact Index Per Article: 4.0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Grants] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/29/2021] [Revised: 06/06/2021] [Accepted: 06/09/2021] [Indexed: 11/24/2022]
Abstract
Ovarian cancer remains the most lethal gynaecological malignancy, as its timely detection at early stages remains elusive. Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy of biofluids has been previously applied in pilot studies for ovarian cancer diagnosis, with promising results. Herein, these initial findings were further investigated by application of ATR-FTIR spectroscopy in a large patient cohort. Spectra were obtained by measurements of blood plasma and serum, as well as urine, from 116 patients with ovarian cancer and 307 patients with benign gynaecological conditions. A preliminary chemometric analysis revealed significant spectral differences in ovarian cancer patients without previous chemotherapy (n = 71) and those who had received neo-adjuvant chemotherapy-NACT (n = 45), so these groups were compared separately with benign controls. Classification algorithms with blind predictive model validation demonstrated that serum was the best biofluid, achieving 76% sensitivity and 98% specificity for ovarian cancer detection, whereas urine exhibited poor performance. A drop in sensitivities for the NACT ovarian cancer group in plasma and serum indicates the potential of ATR-FTIR spectroscopy to identify chemotherapy-related spectral changes. Comparisons of regression coefficient plots for identification of biomarkers suggest that glycoproteins (such as CA125) are the main classifiers for ovarian cancer detection and responsible for smaller differences in spectra between NACT patients and benign controls. This study confirms the capacity of biofluids' ATR-FTIR spectroscopy (mainly blood serum) to diagnose ovarian cancer with high accuracy and demonstrates its potential in monitoring response to chemotherapy, which is reported for the first time. ATR-FTIR spectroscopy of blood serum achieves good segregation of ovarian cancers from benign controls, with attenuation of differences following neo-adjuvant chemotherapy.
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Affiliation(s)
- Panagiotis Giamougiannis
- Department of Obstetrics and Gynaecology, Lancashire Teaching Hospitals NHS Foundation Trust, Preston, PR2 9HT, UK
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston, PR1 2HE, UK
| | - Camilo L M Morais
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston, PR1 2HE, UK
| | - Brice Rodriguez
- Department of Obstetrics and Gynaecology, Lancashire Teaching Hospitals NHS Foundation Trust, Preston, PR2 9HT, UK
| | - Nicholas J Wood
- Department of Obstetrics and Gynaecology, Lancashire Teaching Hospitals NHS Foundation Trust, Preston, PR2 9HT, UK
| | - Pierre L Martin-Hirsch
- Department of Obstetrics and Gynaecology, Lancashire Teaching Hospitals NHS Foundation Trust, Preston, PR2 9HT, UK
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24
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Wood BR, Kochan K, Bedolla DE, Salazar‐Quiroz N, Grimley SL, Perez‐Guaita D, Baker MJ, Vongsvivut J, Tobin MJ, Bambery KR, Christensen D, Pasricha S, Eden AK, Mclean A, Roy S, Roberts JA, Druce J, Williamson DA, McAuley J, Catton M, Purcell DFJ, Godfrey DI, Heraud P. Infrared Based Saliva Screening Test for COVID‐19. Angew Chem Int Ed Engl 2021. [DOI: 10.1002/ange.202104453] [Citation(s) in RCA: 6] [Impact Index Per Article: 1.5] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 12/16/2022]
Affiliation(s)
- Bayden R. Wood
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
- Australian Research Council Centre of Excellence in Advanced Molecular Imaging University of Melbourne Melbourne Victoria 3010 Australia
| | - Kamila Kochan
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
| | - Diana E. Bedolla
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
- Area Science Park Padriciano 99 34149 Trieste Italy
- Elettra-Sincrotrone Trieste S.S. 14 Km 163.5 34149 Trieste Italy
| | | | - Samantha L. Grimley
- Department of Microbiology and Immunology University of Melbourne Melbourne Australia
| | - David Perez‐Guaita
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
- FOCAS Research Institute Dublin Institute of Technology D04 Dublin Ireland
- Department of Analytical Chemistry University of Valencia 50 Dr. Moliner Street, Research Building 46100 Burjassot Valencia Spain
| | - Matthew J. Baker
- Department of Pure and Applied Chemistry University of Strathclyde, Technology and Innovation Centre Level 7 99 George Street Glasgow G1 1RD Scotland UK
| | - Jitraporn Vongsvivut
- ANSTO - Australian Synchrotron 800 Blackburn Road Clayton Victoria 3168 Australia
| | - Mark J. Tobin
- ANSTO - Australian Synchrotron 800 Blackburn Road Clayton Victoria 3168 Australia
| | - Keith R. Bambery
- ANSTO - Australian Synchrotron 800 Blackburn Road Clayton Victoria 3168 Australia
| | - Dale Christensen
- ANSTO - Australian Synchrotron 800 Blackburn Road Clayton Victoria 3168 Australia
| | - Shivani Pasricha
- Department of Microbiology and Immunology University of Melbourne Melbourne Australia
| | - Anthony K. Eden
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
| | - Aaron Mclean
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
| | - Supti Roy
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
| | - Jason A. Roberts
- Victorian Infectious Diseases Reference Laboratory The Peter Doherty Institute for Infection and Immunity Melbourne Vic Australia
| | - Julian Druce
- Victorian Infectious Diseases Reference Laboratory The Peter Doherty Institute for Infection and Immunity Melbourne Vic Australia
| | - Deborah A. Williamson
- Department of Microbiology and Immunology University of Melbourne Melbourne Australia
- Department of Microbiology Royal Melbourne Hospital Melbourne Australia
| | - Julie McAuley
- Department of Microbiology and Immunology University of Melbourne Melbourne Australia
| | - Mike Catton
- Victorian Infectious Diseases Reference Laboratory The Peter Doherty Institute for Infection and Immunity Melbourne Vic Australia
| | - Damian F. J. Purcell
- Department of Microbiology and Immunology University of Melbourne Melbourne Australia
| | - Dale I. Godfrey
- Australian Research Council Centre of Excellence in Advanced Molecular Imaging University of Melbourne Melbourne Victoria 3010 Australia
- Department of Microbiology and Immunology University of Melbourne Melbourne Australia
| | - Philip Heraud
- Centre for Biospectroscopy and School of Chemistry Monash University Clayton Campus 3800 Victoria Australia
- Australian Research Council Centre of Excellence in Advanced Molecular Imaging University of Melbourne Melbourne Victoria 3010 Australia
- Department of Microbiology and the Biomedicine Discovery Institute Faculty of Medicine, Nursing and Health Sciences Monash University Victoria Australia
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25
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Wood BR, Kochan K, Bedolla DE, Salazar-Quiroz N, Grimley SL, Perez-Guaita D, Baker MJ, Vongsvivut J, Tobin MJ, Bambery KR, Christensen D, Pasricha S, Eden AK, Mclean A, Roy S, Roberts JA, Druce J, Williamson DA, McAuley J, Catton M, Purcell DFJ, Godfrey DI, Heraud P. Infrared Based Saliva Screening Test for COVID-19. Angew Chem Int Ed Engl 2021; 60:17102-17107. [PMID: 34043272 PMCID: PMC8222893 DOI: 10.1002/anie.202104453] [Citation(s) in RCA: 29] [Impact Index Per Article: 7.3] [Reference Citation Analysis] [Abstract] [Key Words] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 03/31/2021] [Indexed: 11/23/2022]
Abstract
Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) has resulted in an unprecedented need for diagnostic testing that is critical in controlling the spread of COVID‐19. We propose a portable infrared spectrometer with purpose‐built transflection accessory for rapid point‐of‐care detection of COVID‐19 markers in saliva. Initially, purified virion particles were characterized with Raman spectroscopy, synchrotron infrared (IR) and AFM‐IR. A data set comprising 171 transflection infrared spectra from 29 subjects testing positive for SARS‐CoV‐2 by RT‐qPCR and 28 testing negative, was modeled using Monte Carlo Double Cross Validation with 50 randomized test and model sets. The testing sensitivity was 93 % (27/29) with a specificity of 82 % (23/28) that included positive samples on the limit of detection for RT‐qPCR. Herein, we demonstrate a proof‐of‐concept high throughput infrared COVID‐19 test that is rapid, inexpensive, portable and utilizes sample self‐collection thus minimizing the risk to healthcare workers and ideally suited to mass screening.
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Affiliation(s)
- Bayden R Wood
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia.,Australian Research Council Centre of Excellence in Advanced Molecular Imaging, University of Melbourne, Melbourne, Victoria, 3010, Australia
| | - Kamila Kochan
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia
| | - Diana E Bedolla
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia.,Area Science Park, Padriciano 99, 34149, Trieste, Italy.,Elettra-Sincrotrone Trieste, S.S. 14 Km 163.5, 34149, Trieste, Italy
| | - Natalia Salazar-Quiroz
- Department of Microbiology and Immunology, University of Melbourne, Melbourne, Australia
| | - Samantha L Grimley
- Department of Microbiology and Immunology, University of Melbourne, Melbourne, Australia
| | - David Perez-Guaita
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia.,FOCAS Research Institute, Dublin Institute of Technology, D04, Dublin, Ireland.,Department of Analytical Chemistry, University of Valencia, 50 Dr. Moliner Street, Research Building, 46100, Burjassot Valencia, Spain
| | - Matthew J Baker
- Department of Pure and Applied Chemistry, University of Strathclyde, Technology and Innovation Centre Level 7, 99 George Street, Glasgow, G1 1RD, Scotland, UK
| | - Jitraporn Vongsvivut
- ANSTO - Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria, 3168, Australia
| | - Mark J Tobin
- ANSTO - Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria, 3168, Australia
| | - Keith R Bambery
- ANSTO - Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria, 3168, Australia
| | - Dale Christensen
- ANSTO - Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria, 3168, Australia
| | - Shivani Pasricha
- Department of Microbiology and Immunology, University of Melbourne, Melbourne, Australia
| | - Anthony K Eden
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia
| | - Aaron Mclean
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia
| | - Supti Roy
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia
| | - Jason A Roberts
- Victorian Infectious Diseases Reference Laboratory, The Peter Doherty Institute for Infection and Immunity, Melbourne, Vic, Australia
| | - Julian Druce
- Victorian Infectious Diseases Reference Laboratory, The Peter Doherty Institute for Infection and Immunity, Melbourne, Vic, Australia
| | - Deborah A Williamson
- Department of Microbiology and Immunology, University of Melbourne, Melbourne, Australia.,Department of Microbiology, Royal Melbourne Hospital, Melbourne, Australia
| | - Julie McAuley
- Department of Microbiology and Immunology, University of Melbourne, Melbourne, Australia
| | - Mike Catton
- Victorian Infectious Diseases Reference Laboratory, The Peter Doherty Institute for Infection and Immunity, Melbourne, Vic, Australia
| | - Damian F J Purcell
- Department of Microbiology and Immunology, University of Melbourne, Melbourne, Australia
| | - Dale I Godfrey
- Australian Research Council Centre of Excellence in Advanced Molecular Imaging, University of Melbourne, Melbourne, Victoria, 3010, Australia.,Department of Microbiology and Immunology, University of Melbourne, Melbourne, Australia
| | - Philip Heraud
- Centre for Biospectroscopy and School of Chemistry, Monash University, Clayton Campus, 3800, Victoria, Australia.,Australian Research Council Centre of Excellence in Advanced Molecular Imaging, University of Melbourne, Melbourne, Victoria, 3010, Australia.,Department of Microbiology and the Biomedicine Discovery Institute, Faculty of Medicine, Nursing and Health Sciences, Monash University, Victoria, Australia
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26
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Barauna VG, Singh MN, Barbosa LL, Marcarini WD, Vassallo PF, Mill JG, Ribeiro-Rodrigues R, Campos LCG, Warnke PH, Martin FL. Ultrarapid On-Site Detection of SARS-CoV-2 Infection Using Simple ATR-FTIR Spectroscopy and an Analysis Algorithm: High Sensitivity and Specificity. Anal Chem 2021; 93:2950-2958. [PMID: 33481583 PMCID: PMC7857139 DOI: 10.1021/acs.analchem.0c04608] [Citation(s) in RCA: 82] [Impact Index Per Article: 20.5] [Reference Citation Analysis] [Abstract] [MESH Headings] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 11/01/2020] [Accepted: 01/12/2021] [Indexed: 12/15/2022]
Abstract
There is an urgent need for ultrarapid testing regimens to detect the severe acute respiratory syndrome coronavirus 2 [SARS-CoV-2] infections in real-time within seconds to stop its spread. Current testing approaches for this RNA virus focus primarily on diagnosis by RT-qPCR, which is time-consuming, costly, often inaccurate, and impractical for general population rollout due to the need for laboratory processing. The latency until the test result arrives with the patient has led to further virus spread. Furthermore, latest antigen rapid tests still require 15-30 min processing time and are challenging to handle. Despite increased polymerase chain reaction (PCR)-test and antigen-test efforts, the pandemic continues to evolve worldwide. Herein, we developed a superfast, reagent-free, and nondestructive approach of attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy with subsequent chemometric analysis toward the prescreening of virus-infected samples. Contrived saliva samples spiked with inactivated γ-irradiated COVID-19 virus particles at levels down to 1582 copies/mL generated infrared (IR) spectra with a good signal-to-noise ratio. Predominant virus spectral peaks are tentatively associated with nucleic acid bands, including RNA. At low copy numbers, the presence of a virus particle was found to be capable of modifying the IR spectral signature of saliva, again with discriminating wavenumbers primarily associated with RNA. Discrimination was also achievable following ATR-FTIR spectral analysis of swabs immersed in saliva variously spiked with virus. Next, we nested our test system in a clinical setting wherein participants were recruited to provide demographic details, symptoms, parallel RT-qPCR testing, and the acquisition of pharyngeal swabs for ATR-FTIR spectral analysis. Initial categorization of swab samples into negative versus positive COVID-19 infection was based on symptoms and PCR results (n = 111 negatives and 70 positives). Following training and validation (using n = 61 negatives and 20 positives) of a genetic algorithm-linear discriminant analysis (GA-LDA) algorithm, a blind sensitivity of 95% and specificity of 89% was achieved. This prompt approach generates results within 2 min and is applicable in areas with increased people traffic that require sudden test results such as airports, events, or gate controls.
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Affiliation(s)
- Valério G. Barauna
- Department
of Physiological Sciences, Federal University
of Espírito Santo, 29075-910 Vitoria, Brazil
| | - Maneesh N. Singh
- Biocel
UK Ltd., 15 Riplingham
Road, West Ella, Hull HU10
6TS, U.K.
| | - Leonardo Leal Barbosa
- Department
of Physiological Sciences, Federal University
of Espírito Santo, 29075-910 Vitoria, Brazil
| | - Wena Dantas Marcarini
- Department
of Physiological Sciences, Federal University
of Espírito Santo, 29075-910 Vitoria, Brazil
| | - Paula Frizera Vassallo
- Department
of Physiological Sciences, Federal University
of Espírito Santo, 29075-910 Vitoria, Brazil
- Clinical
Hospital, Federal University of Minas Gerais, 31270-901 Belo
Horizonte, Brazil
| | - Jose Geraldo Mill
- Department
of Physiological Sciences, Federal University
of Espírito Santo, 29075-910 Vitoria, Brazil
| | | | - Luciene C. G. Campos
- Department
of Biological Science, Santa Cruz State
University, 45662-900 Bahia, Brazil
| | - Patrick H. Warnke
- Praxisklinik
am Ballastkai, Ballastkai
5, 24937 Flensburg, Germany
- Department
of OMF-Surgery, Christian-Albrechts-University
of Kiel, 24118 Kiel, Germany
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27
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Theakstone AG, Rinaldi C, Butler HJ, Cameron JM, Confield LR, Rutherford SH, Sala A, Sangamnerkar S, Baker MJ. Fourier‐transform infrared spectroscopy of biofluids: A practical approach. TRANSLATIONAL BIOPHOTONICS 2021. [DOI: 10.1002/tbio.202000025] [Citation(s) in RCA: 9] [Impact Index Per Article: 2.3] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 12/26/2022] Open
Affiliation(s)
- Ashton G. Theakstone
- WestCHEM, Department of Pure and Applied Chemistry Technology and Innovation Centre Glasgow UK
| | - Christopher Rinaldi
- WestCHEM, Department of Pure and Applied Chemistry Technology and Innovation Centre Glasgow UK
| | | | | | - Lily Rose Confield
- WestCHEM, Department of Pure and Applied Chemistry Technology and Innovation Centre Glasgow UK
- CDT Medical Devices, Department of Biomedical Engineering Wolfson Centre Glasgow UK
| | - Samantha H. Rutherford
- WestCHEM, Department of Pure and Applied Chemistry Technology and Innovation Centre Glasgow UK
| | - Alexandra Sala
- WestCHEM, Department of Pure and Applied Chemistry Technology and Innovation Centre Glasgow UK
- ClinSpec Diagnostics Ltd, Royal College Building Glasgow UK
| | - Sayali Sangamnerkar
- WestCHEM, Department of Pure and Applied Chemistry Technology and Innovation Centre Glasgow UK
| | - Matthew J. Baker
- WestCHEM, Department of Pure and Applied Chemistry Technology and Innovation Centre Glasgow UK
- ClinSpec Diagnostics Ltd, Royal College Building Glasgow UK
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28
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Maitra I, Date RS, Martin FL. Towards screening Barrett's oesophagus: current guidelines, imaging modalities and future developments. Clin J Gastroenterol 2020; 13:635-649. [PMID: 32495144 PMCID: PMC7519897 DOI: 10.1007/s12328-020-01135-2] [Citation(s) in RCA: 4] [Impact Index Per Article: 0.8] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Submit a Manuscript] [Subscribe] [Scholar Register] [Received: 01/07/2020] [Accepted: 05/21/2020] [Indexed: 02/07/2023]
Abstract
Barrett's oesophagus is the only known precursor to oesophageal adenocarcinoma (OAC). Although guidelines on the screening and surveillance exist in Barrett's oesophagus, the current strategies are inadequate. Oesophagogastroduodenoscopy (OGD) is the gold standard method in screening for Barrett's oesophagus. This invasive method is expensive with associated risks negating its use as a current screening tool for Barrett's oesophagus. This review explores current definitions, epidemiology, biomarkers, surveillance, and screening in Barrett's oesophagus. Imaging modalities applicable to this condition are discussed, in addition to future developments. There is an urgent need for an alternative non-invasive method of screening and/or surveillance which could be highly beneficial towards reducing waiting times, alleviating patient fears and reducing future costs in current healthcare services. Vibrational spectroscopy has been shown to be promising in categorising Barrett's oesophagus through to high-grade dysplasia (HGD) and OAC. These techniques need further validation through multicentre trials.
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Affiliation(s)
- Ishaan Maitra
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston, PR1 2HE UK
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Derruau S, Robinet J, Untereiner V, Piot O, Sockalingum GD, Lorimier S. Vibrational Spectroscopy Saliva Profiling as Biometric Tool for Disease Diagnostics: A Systematic Literature. Molecules 2020; 25:E4142. [PMID: 32927716 PMCID: PMC7570680 DOI: 10.3390/molecules25184142] [Citation(s) in RCA: 22] [Impact Index Per Article: 4.4] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 08/08/2020] [Revised: 09/05/2020] [Accepted: 09/05/2020] [Indexed: 02/07/2023] Open
Abstract
Saliva is a biofluid that can be considered as a "mirror" reflecting our body's health status. Vibrational spectroscopy, Raman and infrared, can provide a detailed salivary fingerprint that can be used for disease biomarker discovery. We propose a systematic literature review based on the PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analyses) guidelines to evaluate the potential of vibrational spectroscopy to diagnose oral and general diseases using saliva as a biological specimen. Literature searches were recently conducted in May 2020 through MEDLINE-PubMed and Scopus databases, without date limitation. Finally, over a period of 10 years, 18 publications were included reporting on 10 diseases (three oral and seven general diseases), with very high diagnostic performance rates in terms of sensitivity, specificity, and accuracy. Thirteen articles were related to six different cancers of the following anatomical sites: mouth, nasopharynx, lung, esophagus, stomach, and breast. The other diseases investigated and included in this review were periodontitis, Sjögren's syndrome, diabetes, and myocardial infarction. Moreover, most articles focused on Raman spectroscopy (n = 16/18) and more specifically surface-enhanced Raman spectroscopy (n = 12/18). Interestingly, vibrational spectroscopy appears promising as a rapid, label-free, and non-invasive diagnostic salivary biometric tool. Furthermore, it could be adapted to investigate subclinical diseases-even if developmental studies are required.
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Affiliation(s)
- Stéphane Derruau
- Université de Reims Champagne-Ardenne, Département de Biologie Orale, UFR Odontologie, 2 rue du Général Koenig, 51100 Reims, France; (S.D.); (J.R.)
- Pôle de Médecine Bucco-dentaire, Centre Hospitalier Universitaire de Reims, 45 rue Cognacq-Jay, 51092 Reims, France
- Université de Reims Champagne-Ardenne, BioSpecT-EA7506, UFR de Pharmacie, 51 rue Cognacq-Jay, 51097 Reims, France; (O.P.); (G.D.S.)
| | - Julien Robinet
- Université de Reims Champagne-Ardenne, Département de Biologie Orale, UFR Odontologie, 2 rue du Général Koenig, 51100 Reims, France; (S.D.); (J.R.)
| | - Valérie Untereiner
- Université de Reims Champagne-Ardenne, PICT, 51 rue Cognacq-Jay, 51097 Reims, France;
| | - Olivier Piot
- Université de Reims Champagne-Ardenne, BioSpecT-EA7506, UFR de Pharmacie, 51 rue Cognacq-Jay, 51097 Reims, France; (O.P.); (G.D.S.)
- Université de Reims Champagne-Ardenne, PICT, 51 rue Cognacq-Jay, 51097 Reims, France;
| | - Ganesh D. Sockalingum
- Université de Reims Champagne-Ardenne, BioSpecT-EA7506, UFR de Pharmacie, 51 rue Cognacq-Jay, 51097 Reims, France; (O.P.); (G.D.S.)
| | - Sandrine Lorimier
- Université de Reims Champagne-Ardenne, Département de Biologie Orale, UFR Odontologie, 2 rue du Général Koenig, 51100 Reims, France; (S.D.); (J.R.)
- Pôle de Médecine Bucco-dentaire, Centre Hospitalier Universitaire de Reims, 45 rue Cognacq-Jay, 51092 Reims, France
- Université de Reims Champagne-Ardenne, GRESPI-EA4694, UFR Sciences Exactes et Naturelles, 51687 Reims, France
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Baishya N, Mamouei M, Budidha K, Qassem M, Vadgama P, Kyriacou PA. Investigations into the Effects of pH on Quantitative Measurements of Lactate in Biological Media Using ATR-FTIR Spectroscopy. Molecules 2020; 25:molecules25163695. [PMID: 32823662 PMCID: PMC7466057 DOI: 10.3390/molecules25163695] [Citation(s) in RCA: 6] [Impact Index Per Article: 1.2] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 07/07/2020] [Revised: 08/10/2020] [Accepted: 08/12/2020] [Indexed: 01/03/2023] Open
Abstract
Quantification of lactate/lactic acid in critical care environments is essential as lactate serves as an important biochemical marker for the adequacy of the haemodynamic circulation in shock and of cell respiration at the onset of sepsis/septic shock. Hence, in this study, ATR-FTIR was explored as a potential tool for lactate measurement, as the current techniques depend on sample preparation and fails to provide rapid response. Moreover, the effects of pH on PBS samples (7.4, 7, 6.5 and 6) and change in solution conditions (PBS to whole blood) on spectral features were also investigated. A total 189 spectra from five sets of lactate containing media were obtained. Results suggests that lactate could be measured with more than 90% accuracy in the wavenumber range of 1500–600 cm−1. The findings of this study further suggest that there exist no effects of change in pH or media, when estimating lactate concentration changes in this range of the Mid-IR spectral region.
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Affiliation(s)
- Nystha Baishya
- Research Center for Biomedical Engineering, University of London, Northampton Square, London EC1V 0HB, UK; (M.M.); (K.B.); (M.Q.); (P.A.K.)
- Correspondence: ; Tel.: +44-(0)20-7040-3878
| | - Mohammad Mamouei
- Research Center for Biomedical Engineering, University of London, Northampton Square, London EC1V 0HB, UK; (M.M.); (K.B.); (M.Q.); (P.A.K.)
| | - Karthik Budidha
- Research Center for Biomedical Engineering, University of London, Northampton Square, London EC1V 0HB, UK; (M.M.); (K.B.); (M.Q.); (P.A.K.)
| | - Meha Qassem
- Research Center for Biomedical Engineering, University of London, Northampton Square, London EC1V 0HB, UK; (M.M.); (K.B.); (M.Q.); (P.A.K.)
| | - Pankaj Vadgama
- Interdisciplinary Research Centre (IRC) in Biomedical Materials, Queen Mary University of London, Mile End Road, London E1 4NS, UK;
| | - Panayiotis A. Kyriacou
- Research Center for Biomedical Engineering, University of London, Northampton Square, London EC1V 0HB, UK; (M.M.); (K.B.); (M.Q.); (P.A.K.)
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Biofluid diagnostics by FTIR spectroscopy: A platform technology for cancer detection. Cancer Lett 2020; 477:122-130. [DOI: 10.1016/j.canlet.2020.02.020] [Citation(s) in RCA: 45] [Impact Index Per Article: 9.0] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 12/13/2019] [Revised: 01/31/2020] [Accepted: 02/14/2020] [Indexed: 12/19/2022]
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Maitra I, Morais CLM, Lima KMG, Ashton KM, Date RS, Martin FL. Raman spectral discrimination in human liquid biopsies of oesophageal transformation to adenocarcinoma. JOURNAL OF BIOPHOTONICS 2020; 13:e201960132. [PMID: 31794123 DOI: 10.1002/jbio.201960132] [Citation(s) in RCA: 10] [Impact Index Per Article: 2.0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Subscribe] [Scholar Register] [Received: 10/01/2019] [Revised: 11/27/2019] [Accepted: 11/30/2019] [Indexed: 06/10/2023]
Abstract
The aim of this study was to determine whether Raman spectroscopy combined with chemometric analysis can be applied to interrogate biofluids (plasma, serum, saliva and urine) towards detecting oesophageal stages through to oesophageal adenocarcinoma [normal/squamous epithelium, inflammatory, Barrett's, low-grade dysplasia, high-grade dysplasia and oesophageal adenocarcinoma (OAC)]. The chemometric analysis of the spectral data was performed using principal component analysis, successive projections algorithm or genetic algorithm (GA) followed by quadratic discriminant analysis (QDA). The genetic algorithm quadratic discriminant analysis (GA-QDA) model using a few selected wavenumbers for saliva and urine samples achieved 100% classification for all classes. For plasma and serum, the GA-QDA model achieved excellent accuracy in all oesophageal stages (>90%). The main GA-QDA features responsible for sample discrimination were: 1012 cm-1 (C─O stretching of ribose), 1336 cm-1 (Amide III and CH2 wagging vibrations from glycine backbone), 1450 cm-1 (methylene deformation) and 1660 cm-1 (Amide I). The results of this study are promising and support the concept that Raman on biofluids may become a useful and objective diagnostic tool to identify oesophageal disease stages from squamous epithelium to OAC.
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Affiliation(s)
- Ishaan Maitra
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston, UK
| | - Camilo L M Morais
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston, UK
| | - Kássio M G Lima
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston, UK
- Biological Chemistry and Chemometrics, Institute of Chemistry, Federal University of Rio Grande do Norte, Natal, Brazil
| | - Katherine M Ashton
- Lancashire Teaching Hospitals NHS Foundation Trust, Royal Preston Hospital, Preston, UK
| | - Ravindra S Date
- Lancashire Teaching Hospitals NHS Foundation Trust, Royal Preston Hospital, Preston, UK
| | - Francis L Martin
- School of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston, UK
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Lilo T, Morais CLM, Ashton KM, Pardilho A, Davis C, Dawson TP, Gurusinghe N, Martin FL. Spectrochemical differentiation of meningioma tumours based on attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy. Anal Bioanal Chem 2019; 412:1077-1086. [PMID: 31865413 PMCID: PMC7007428 DOI: 10.1007/s00216-019-02332-w] [Citation(s) in RCA: 13] [Impact Index Per Article: 2.2] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Download PDF] [Figures] [Journal Information] [Subscribe] [Scholar Register] [Received: 10/01/2019] [Revised: 11/11/2019] [Accepted: 12/05/2019] [Indexed: 12/11/2022]
Abstract
Meningiomas are the commonest types of tumours in the central nervous system (CNS). It is a benign type of tumour divided into three WHO grades (I, II and III) associated with tumour growth rate and likelihood of recurrence, where surgical outcomes and patient treatments are dependent on the meningioma grade and histological subtype. The development of alternative approaches based on attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy could aid meningioma grade determination and its biospectrochemical profiling in an automated fashion. Herein, ATR-FTIR in combination with chemometric techniques is employed to distinguish grade I, grade II and grade I meningiomas that re-occurred. Ninety-nine patients were investigated in this study where their formalin-fixed paraffin-embedded (FFPE) brain tissue samples were analysed by ATR-FTIR spectroscopy. Subsequent classification was performed via principal component analysis plus linear discriminant analysis (PCA-LDA) and partial least squares plus discriminant analysis (PLS-DA). PLS-DA gave the best results where grade I and grade II meningiomas were discriminated with 79% accuracy, 80% sensitivity and 73% specificity, while grade I versus grade I recurrence and grade II versus grade I recurrence were discriminated with 94% accuracy (94% sensitivity and specificity) and 97% accuracy (97% sensitivity and 100% specificity), respectively. Several wavenumbers were identified as possible biomarkers towards tumour differentiation. The majority of these were associated with lipids, protein, DNA/RNA and carbohydrate alterations. These findings demonstrate the potential of ATR-FTIR spectroscopy towards meningioma grade discrimination as a fast, low-cost, non-destructive and sensitive tool for clinical settings.
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