Article
Biochemistry & Molecular Biology
Raquel C. C. Laginha, Clara B. B. Martins, Ana L. C. Brandao, Joana Marques, M. Paula M. Marques, Luis A. E. Batista de Carvalho, Ines P. Santos, Ana L. M. Batista de Carvalho
Summary: In this study, the cytotoxic effects of a complex with two Pd(II) centers (Pd(2)Spm) on healthy and cancerous prostate human cell lines were evaluated and compared to cisplatin. Fourier Transform Infrared (FTIR) and Raman microspectroscopies were used to understand the molecular mechanisms of action of both drugs, revealing differences in their impact on DNA, lipids, and proteins.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Engineering, Biomedical
Lucas Becker, Chuan-En Lu, Ivonne A. Montes-Mojarro, Shannon L. Layland, Suzan Khalil, Ali Nsair, Garry P. Duffy, Falko Fend, Julia Marzi, Katja Schenke-Layland
Summary: Fibrosis is the excessive deposition of collagen type I (COL I) that replaces healthy tissue structures, often caused by chronic inflammation. This study used Raman spectroscopy to identify a spectroscopic biomarker, the subpeak at 1608 cm-1 in the amide I region of COL I Raman spectra, to discriminate fibrotic and non-fibrotic tissues. These findings offer a potential diagnostic approach for non-invasive tracking and monitoring of fibrosis progression.
ACTA BIOMATERIALIA
(2023)
Article
Chemistry, Applied
Xiao Wei, Fang Li, Anand Babu Perumal, Alireza Sanaeifar, Mahamed Lamine Guindo, Yongqiang Shi, Yong He, Fei Liu
Summary: This study investigated the feasibility of using confocal Raman microspectroscopy (CRM) combined with spectral screening algorithms for quantitative detection of starch in rice. The experimental results demonstrated that after proper pre-processing and spectral screening algorithm, CRM could swiftly and accurately detect the starch content in rice.
FOOD HYDROCOLLOIDS
(2023)
Article
Pathology
Nina Goertzen, Roberto Pappesch, Jana Fassunke, Thomas Bruening, Yon-Dschun Ko, Joachim Schmidt, Frederik Grosserueschkamp, Reinhard Buettner, Klaus Gerwert
Summary: This study introduces an alternative diagnostic approach for automatic detection of mutations in lung adenocarcinoma tissue using quantum cascade laser-based infrared imaging. The developed five-step supervised classification algorithm can accurately detect tumor types and mutation statuses, providing comprehensive molecular diagnostics for lung cancer samples.
AMERICAN JOURNAL OF PATHOLOGY
(2021)
Article
Instruments & Instrumentation
Lewis M. Dowling, Paul Roach, Abigail V. Rutter, Ibraheem Yousef, Srinivas Pillai, Deborah Latham, Daniel G. van Pittius, Josep Sule-Suso
Summary: This study demonstrates the differentiation of two different types of lung cancer cells on glass coverslips using FT-IR microspectroscopy, and highlights the preference for formalin-fixed cytospin samples for this purpose. It also indicates the potential for future advances in clinical assessment of samples within pathology units.
APPLIED SPECTROSCOPY
(2021)
Article
Engineering, Environmental
Luis Fernando Amato-Lourenco, Regiani Carvalho-Oliveira, Gabriel Ribeiro Junior, Luciana dos Santos Galvao, Romulo Augusto Ando, Thais Mauad
Summary: This study confirmed the presence of microplastics in human lung tissues, with polyethylene and polypropylene being the most frequently detected polymers. The potential adverse effects of these microplastics on the respiratory system following inhalation are still unknown, but further research is needed to understand the heterogeneous characteristics of these contaminants.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Biochemical Research Methods
Damien Traynor, Isha Behl, Declan O'Dea, Franck Bonnier, Siobhan Nicholson, Finbar O'Connell, Aoife Maguire, Stephen Flint, Sheila Galvin, Claire M. Healy, Cara M. Martin, John J. O'Leary, Alison Malkin, Hugh J. Byrne, Fiona M. Lyng
Summary: The protocol presented in this study outlines the use of Raman spectroscopy for cancer cytopathology diagnosis, covering detailed instructions for sample preparation, data acquisition, preprocessing, and analysis.
Article
Chemistry, Analytical
Warda Boutegrabet, Dominique Guenot, Olivier Bouche, Camille Boulagnon-Rombi, Aude Marchal Bressenot, Olivier Piot, Cyril Gobinet
Summary: A new automatic and multivariate methodology utilizing EMSC regression coefficients, validity indices, and KMeans clustering was proposed to separate paraffin and tissue pixels in infrared spectral images. Validation on simulated and real images showed high effectiveness of the method.
ANALYTICAL CHEMISTRY
(2021)
Article
Engineering, Environmental
Meiping Tian, Camilo L. M. Morais, Heqing Shen, Weiyi Pang, Li Xu, Qingyu Huang, Francis L. Martin
Summary: Microplastics contamination is widespread in global environmental matrices, and efficient methods for direct identification and visualization of these pollutants are needed. This study used MCR-ALS analysis of Raman hyperspectral imaging data to successfully identify and visualize microplastics in complex backgrounds, demonstrating a novel imaging approach for direct identification of microplastics. By extracting chemical spectra of microplastics within biological or environmental backgrounds, this method eliminates overlapping Raman bands and fluorescence interference.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Forestry
Bing Wang, Mei Luo, Yadi Liu, Xiaorui Guo, Xiatong Liu, Chong Zhang, Zhijing Zhao, Di Liu, Hui Li, Hai Lu
Summary: Confocal Raman microspectroscopy (CRM) is an important tool for analyzing the compositional distribution of cell walls in situ. The study demonstrated that CRM is useful for rapidly analyzing the spatial variation of lignin content in the xylem of woody plants.
JOURNAL OF FORESTRY RESEARCH
(2021)
Article
Multidisciplinary Sciences
Lila Lovergne, Dhruba Ghosh, Renaud Schuck, Aris A. Polyzos, Andrew D. Chen, Michael C. Martin, Edward S. Barnard, James B. Brown, Cynthia T. McMurray
Summary: Spectral phenotyping is a new kind of biomarker predicting disease based on chemical rather than biological endpoints in cells, using FTIR spectromicroscopy. It accurately predicts disease state in mice and human cells, even in the absence of brain pathology.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Physical
Qi Hu, Guocheng Zhao, Haomin Guo, Junhao He, Haiwen Liu, Runmin Wu, Chengyun Zhang
Summary: A method combining femtosecond laser direct writing silicon with solid-state dewetting of Au nanofilm was proposed to prepare high-density and suitable size Au-NPs/PSi substrates for surface-enhanced Raman scattering (SERS). The substrate exhibited significantly enhanced local electric field in the nanogaps between Au-NPs and between Au-NPs and silicon. It showed excellent SERS ability in detecting R6G molecules, with a detection limit as low as 10-10 M and an enhancement factor of 2.68 x 107.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Yufeng Zhang, Qian Lv, Aoran Fan, Lingxiao Yu, Haidong Wang, Weigang Ma, Ruitao Lv, Xing Zhang
Summary: This study measured the thermal conductivity of monolayer WS2 using a dual-wavelength flash Raman method and found a reduction in thermal conductivity due to substrate effect. Molecular dynamics simulations revealed that the suppression of acoustic phonons is the main cause of this reduction. Raman spectroscopy investigation showed clear effects of substrate interaction on optical phonons.
Article
Multidisciplinary Sciences
Andrey Zyubin, Vladimir Rafalskiy, Mikhail Lopatin, Elizaveta Demishkevich, Ekaterina Moiseeva, Karina Matveeva, Igor Kon, Artemii Khankaev, Anna Kundalevich, Viktoria Butova, Leonard Lipnevich, Ivan Lyatun, Ilia Samusev, Valery Bryukhanov
Summary: This paper presents a detailed study on the spectral homogeneity of human platelets using SERS. The study uses multivariate methods such as principal component analysis and pair correlation algorithms to analyze platelet spectral properties. The results reveal a high degree of spectral homogeneity within and between probes, with implications for cardiovascular diseases based on platelet conformations.
Review
Chemistry, Analytical
Lucyano J. A. Macedo, Fernando P. Rodrigues, Ayaz Hassan, Leandro N. C. Maximo, Fabio Zobi, Roberto S. da Silva, Frank N. Crespilho
Summary: Recent emergence of FTIR spectromicroscopy (micro-FTIR) as a dynamic spectroscopy for imaging to study biological chemistry has opened new possibilities for investigating in situ drug release, redox chemistry effects on biological molecules, DNA and drug interactions, membrane dynamics, and redox reactions with proteins at the single cell level. Micro-FTIR applied to metallodrugs has been playing an important role since the last decade because of its great potential to achieve more robust and controlled pharmacological effects against several diseases, including cancer. An important aspect in the development of these drugs is to understand their cellular properties, such as uptake, accumulation, activity, and toxicity. The review highlights both the potential application of micro-FTIR and its importance for studying metal-based drugs, emphasizing the perspectives of chemistry of living cells and the significance of bioimaging for localization of cellular processes to understand the mechanism of action.
ANALYTICAL METHODS
(2022)
Article
Biochemistry & Molecular Biology
Suha Elderderi, Pierre-Yves Sacre, Laura Wils, Igor Chourpa, Abdalla A. Elbashir, Philippe Hubert, Hugh J. Byrne, Leslie Boudesocque-Delaye, Eric Ziemons, Franck Bonnier
Summary: The study evaluated the use of vibrational spectroscopic techniques, such as ATR-IR, NIRS, and RS, coupled with PLSR, as cost-effective tools for monitoring water content in LALP NADES. ATR-IR showed the best performance, while NIRS and RS had lower accuracy possibly due to their sensitivity to LALP compounds. Raman spectroscopy showed potential for future development in water quantification in NADES.
Article
Biochemistry & Molecular Biology
Joy Udensi, Ekaterina Loskutova, James Loughman, Hugh J. Byrne
Summary: The study explored the differentiation and quantification of dietary carotenoids using Raman and UV visible absorption spectroscopy. By preprocessing spectral data and modeling analysis, accurate determination of carotenoid content was achieved, suggesting potential application in clinical analysis.
Review
Chemistry, Analytical
S. Bielfeldt, F. Bonnier, H. J. Byrne, I. Chourpa, Y. Dancik
Summary: The study of human skin is significant in various fields including dermatology, toxicology, pharmacology, and cosmetology. Current measurement methods do not provide chemically specific results regarding skin penetration and permeation. However, Raman microspectroscopy can serve as an alternative method for non-destructive, non-invasive, and chemically specific investigations.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Samantha H. H. Rutherford, Matthew J. J. Baker, Neil T. T. Hunt
Summary: The form of the amide I infrared absorption band is a sensitive probe for studying proteins in solution. Recent advancements in ultrafast 2D-IR spectroscopy have allowed the detection of the protein amide I band in H2O-based fluids, enabling the study of proteins in physiologically relevant solvents. This development has the potential to impact protein structural dynamics, analytical and biomedical sciences, and the creation of 2D-IR spectral libraries for high-throughput protein screening and disease diagnosis.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Review
Biochemistry & Molecular Biology
Joy Udensi, James Loughman, Ekaterina Loskutova, Hugh J. Byrne
Summary: This review discusses the structural and optical properties of carotenoid compounds and the use of Raman spectroscopy to identify carotenoids in biological environments. It focuses on applications in nutritional analysis, optometry, and serology, and explores the progress and challenges in establishing the technique in a clinical environment.
Article
Marine & Freshwater Biology
Gabriela H. Da Silva, Lidiane Silva Franqui, Marcelo A. De Farias, Vera Lucia S. S. De Castro, Hugh J. Byrne, Diego S. T. Martinez, Regina T. R. Monteiro, Alan Casey
Summary: This study investigated the cytotoxicity, protein corona formation, and cellular internalisation of TiO2_MWCNT on RTG-2 cells for the first time. The results showed that this nanohybrid had no toxicity effects on RTG-2 cells within 24 hours. Spectral and microscopic analysis revealed that TiO2_MWCNT can form complexes through adsorption of proteins and be internalised by cells.
AQUATIC TOXICOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Shane Forde, Giulianna Vozza, David J. Brayden, Hugh J. Byrne, Jesus M. Frias, Sinead M. Ryan
Summary: In order to address the challenges of oral administration of SeMet, researchers encapsulated it in zein-coated nanoparticles made from chitosan using an ionic gelation formulation. The SeMet-NPs showed high stability and minimal cytotoxicity, as well as antioxidant properties. Additionally, they exhibited increased intestinal permeability compared to free SeMet. These findings suggest the potential of SeMet-NPs for further development as an oral supplement.
Article
Multidisciplinary Sciences
Ashton G. Theakstone, Paul M. Brennan, Michael D. Jenkinson, Royston Goodacre, Matthew J. Baker
Summary: Discrimination between brain cancer and non-cancer patients was achieved using serum-based ATR-FTIR spectroscopy with a sensitivity of 92.8% and specificity of 91.5%. Further research stratified between different brain tumor types with a sensitivity of 90.1% and specificity of 86.3%. The study highlighted the importance of high molecular weight components in discriminating between cancer and non-cancer cases and different tumor types.
Article
Chemistry, Multidisciplinary
Furong Tian, Luis Felipe das Chagas e Silva de Carvalho, Alan Casey, Marcelo Saito Nogueira, Hugh J. Byrne
Summary: In recent years, the disease burden of hyperuricemia has been increasing, especially in high-income countries and the economically developing world with a Western lifestyle. Improved methods of uric acid and hypoxanthine detection using surface-enhanced Raman spectroscopy (SERS) and high-performance liquid chromatography (HPLC) were demonstrated by analyzing three different bodily fluids. Gold nanostars were used for quantitative detection of uric acid and hypoxanthine concentrations. The results show strong correlations between HPLC and SERS, and the potential of vibrational spectroscopy in clinical applications was highlighted.
Article
Pharmacology & Pharmacy
Suha Elderderi, Franck Bonnier, Xavier Perse, Hugh J. Byrne, Florent Yvergnaux, Igor Chourpa, Abdalla A. Elbashir, Emilie Munnier
Summary: Raman spectroscopy is a useful technique for quantifying complex cosmetic products without the need for extensive pre-analytical processing. This study demonstrates the effectiveness of Raman spectroscopy coupled with partial least squares regression (PLSR) in quantifying Alginate nanoencapsulated Piperonyl Esters (ANC-PE) in a hydrogel. By dividing the samples into a training set and a test set, the accuracy of the prediction model was evaluated, with a root mean square error of cross-validation (RMSECV) and prediction (RMSEP) of 0.142% and 0.148% (w/w PE), respectively. These results highlight the potential of Raman spectroscopy for rapid and label-free quantification of active cosmetic ingredients in complex formulations, promising future applications in analytical quality control (AQC).
Article
Chemistry, Analytical
Maria Joao Oliveira, Soraia Caetano, Ana Dalot, Filipe Sabino, Tomas R. Calmeiro, Elvira Fortunato, Rodrigo Martins, Eulalia Pereira, Miguel Prudencio, Hugh J. Byrne, Ricardo Franco, Hugo Aguas
Summary: Early and accurate detection of pathogenic microorganisms is crucial for diagnosis and patient outcomes. The combination of a polystyrene-based microfluidic device and Surface-Enhanced Raman Spectroscopy shows excellent sensitivity and specificity in detecting malaria. The system can be easily adapted for other pathogens and has the potential for early diagnosis of infectious diseases.
Article
Chemistry, Analytical
Valentina Notarstefano, Alessia Belloni, Paolo Mariani, Giulia Orilisi, Giovanna Orsini, Elisabetta Giorgini, Hugh J. J. Byrne
Summary: In this study, Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) and Principal Component Analysis (PCA) were used to analyze Raman MicroSpectroscopy (RMS) data of Oral Squamous Carcinoma Cells (OSCC) exposed to the chemotherapeutic agent cisplatin. The results showed that RMS coupled with multivariate analysis can quantitatively monitor the progression of cellular responses to different drugs, providing potential applications for label-free, in vitro, pre-clinical screening.
Review
Endocrinology & Metabolism
Zohreh Mirveis, Orla Howe, Paul Cahill, Nitin Patil, Hugh J. J. Byrne
Summary: In recent years, the analysis of the glutamine metabolic pathway has been a major focus in metabolomics research due to its significance in cell biosynthesis and bioenergetics, especially in cancer cell survival. However, monitoring the kinetics of this pathway in a living cell in real-time and holistically remains a challenge.
Article
Chemistry, Analytical
Georgios Antoniou, Justin J. A. Conn, Benjamin R. Smith, Paul M. Brennan, Matthew J. Baker, David S. Palmer
Summary: Attenuated total reflectance (ATR)-Fourier transform infrared (FTIR) spectroscopy combined with machine learning techniques can be used for early detection of brain cancer in clinical practice. The transformation of the time domain signal to a frequency domain spectrum via a discrete Fourier transform is a key step in acquiring an IR spectrum. Applying an inverse Fourier transform to frequency domain data and utilizing Recurrent Neural Networks (RNNs), a deep learning model is developed to differentiate between brain cancer and control in 1438 patients. The best performing model achieves an AUC of 0.97 with sensitivity and specificity of 0.91, outperforming the model trained on frequency domain data.
Article
Materials Science, Multidisciplinary
Aimee Sheehan, Tatsiana Mikulchyk, Catherine S. P. De Castro, Safakath Karuthedath, Wejdan Althobaiti, Metodej Dvoracek, Hugh J. Sabad-e-Gul, Hugh J. Byrne, Frederic Laquai, Izabela Naydenova, Mikhail A. Filatov
Summary: A series of new heavy-atom-free photosensitizers were designed and applied for holographic recording in a photopolymerizable material. The photoinduced electron transfer and spin-orbit charge transfer intersystem crossing were studied, and highly efficient photosensitization was observed.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
