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1678 KiB

Open AccessArticle

An FT-Raman, FT-IR, and Quantum Chemical Investigation of Stanozolol and Oxandrolone

by Tibebe Lemma, Fabiano De Barros Souza, Claudio A. Tellez Soto and Airton A. Martin

Biosensors 2018, 8(1), 2; https://doi.org/10.3390/bios8010002 - 26 Dec 2017

Cited by 8 | Viewed by 7285

We have studied the Fourier Transform Infrared (FT-IR) and the Fourier transform Raman (FT-Raman) spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT) with a B3LYP/6-31G (d, p) level of theory. The FT-IR [...] Read more.

We have studied the Fourier Transform Infrared (FT-IR) and the Fourier transform Raman (FT-Raman) spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT) with a B3LYP/6-31G (d, p) level of theory. The FT-IR and FT-Raman spectra were collected in a solid phase. The consistency between the calculated and experimental FT-IR and FT-Raman data indicates that the B3LYP/6-31G (d, p) can generate reliable geometry and related properties of the title compounds. Selected experimental bands were assigned and characterized on the basis of the scaled theoretical wavenumbers by their total energy distribution. The good agreement between the experimental and theoretical spectra allowed positive assignment of the observed vibrational absorption bands. Finally, the calculation results were applied to simulate the Raman and IR spectra of the title compounds, which show agreement with the observed spectra. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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4006 KiB

Open AccessArticle

Study of SH-SY5Y Cancer Cell Response to Treatment with Polyphenol Extracts Using FT-IR Spectroscopy

by Valerio Ricciardi, Marianna Portaccio, Simona Piccolella, Lorenzo Manti, Severina Pacifico and Maria Lepore

Biosensors 2017, 7(4), 57; https://doi.org/10.3390/bios7040057 - 30 Nov 2017

Cited by 21 | Viewed by 6503

Abstract

Plant polyphenols are important components of human diet and a number of them are considered to possess chemo-preventive and therapeutic properties against cancer. They are recognized as naturally occurring antioxidants, but also as pro-oxidant, pro-apoptotic, or chromosomal aberrations inducers, depending on their concentration [...] Read more.

Plant polyphenols are important components of human diet and a number of them are considered to possess chemo-preventive and therapeutic properties against cancer. They are recognized as naturally occurring antioxidants, but also as pro-oxidant, pro-apoptotic, or chromosomal aberrations inducers, depending on their concentration and/or the stage of cell-cycle of the cells with which they interact. For these reasons, particular interest is devoted to knowing the total effects of polyphenols on the cell cycle and metabolism. Fourier-Transform Infrared (FT-IR) spectroscopy thanks to its ability in analyzing cells at a molecular level can be particularly useful in investigating the biochemical changes induced in protein, nucleic acid, lipid, and carbohydrate content of cells by means of polyphenols administration. Spectroscopic analysis was performed on in vitro human SH-SY5Y neuroblastoma cells that were exposed to different doses of a cherry derived polyphenol extract. The infrared spectra that were obtained from unexposed and exposed cells show significant differences that can be helpful in order to understand the cells-polyphenols interaction. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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3879 KiB

Open AccessArticle

Raman Computational and Experimental Studies of Dopamine Detection

by John D. Ciubuc, Kevin E. Bennet, Chao Qiu, Matthew Alonzo, William G. Durrer and Felicia S. Manciu

Biosensors 2017, 7(4), 43; https://doi.org/10.3390/bios7040043 - 28 Sep 2017

Cited by 35 | Viewed by 7376

Abstract

A combined theoretical and experimental analysis of dopamine (DA) is presented in this work with the objective of achieving more accurate detection and monitoring of this neurotransmitter at very low concentrations, specific to physiological levels. Surface-enhanced Raman spectroscopy on silver nanoparticles was employed [...] Read more.

A combined theoretical and experimental analysis of dopamine (DA) is presented in this work with the objective of achieving more accurate detection and monitoring of this neurotransmitter at very low concentrations, specific to physiological levels. Surface-enhanced Raman spectroscopy on silver nanoparticles was employed for recording DA concentrations as low as 10⁻¹¹ molar. Quantum chemical density functional calculations were carried out using Gaussian-09 analytical suite software. Relatively good agreement between the simulated and experimentally determined results indicates the presence of different DA molecular forms, such as uncharged DA^±, anionic DA⁻, and dopaminequinone. Disappearance of the strongest bands of dopamine around 750 cm⁻¹ and 790 cm⁻¹, which suggests its adsorption onto the metallic surface, is not only consistent with all of these DA configurations, but also provides additional information about the analyte’s redox process and voltammetric detection. On the other hand, occurrence of the abovementioned Raman lines could indicate the formation of multilayers of DA or its presence in a cationic DA⁺ form. Thus, through coordinated experiment and theory, valuable insights into changes observed in the vibrational signatures of this important neurotransmitter can be achieved for a better understanding of its detection at physiological levels, which is crucial if further optovoltammetric medical device development is envisioned. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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1369 KiB

Open AccessArticle

Raman Spectroscopy of Head and Neck Cancer: Separation of Malignant and Healthy Tissue Using Signatures Outside the “Fingerprint” Region

by Stephen Holler, Elaina Mansley, Christopher Mazzeo, Michael J. Donovan, Maximiliano Sobrero and Brett A. Miles

Biosensors 2017, 7(2), 20; https://doi.org/10.3390/bios7020020 - 14 May 2017

Cited by 9 | Viewed by 7866

Abstract

The ability to rapidly and accurately discriminate between healthy and malignant tissue offers surgeons a tool for in vivo analysis that would potentially reduce operating time, facilitate quicker recovery, and improve patient outcomes. To this end, we investigate discrimination between diseased tissue and [...] Read more.

The ability to rapidly and accurately discriminate between healthy and malignant tissue offers surgeons a tool for in vivo analysis that would potentially reduce operating time, facilitate quicker recovery, and improve patient outcomes. To this end, we investigate discrimination between diseased tissue and adjacent healthy controls from patients with head and neck cancer using near-infrared Raman spectroscopy. Our results indicate previously unreported peaks in the Raman spectra that lie outside the conventional “fingerprint” region (400 cm-1–1800 cm -1) played an important role in our analysis and in discriminating between the tissue classes. Preliminary multivariate statistical analyses of the Raman spectra indicate that discrimination between diseased and healthy tissue is possible based on these peaks. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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2990 KiB

Open AccessArticle

Different Phases of Breast Cancer Cells: Raman Study of Immortalized, Transformed, and Invasive Cells

by Deepika Chaturvedi, Sai A. Balaji, Vinay Kumar Bn, Freek Ariese, Siva Umapathy and Annapoorni Rangarajan

Biosensors 2016, 6(4), 57; https://doi.org/10.3390/bios6040057 - 28 Nov 2016

Cited by 44 | Viewed by 9680

Abstract

Breast cancer is the most prevalent cause of cancer-associated death in women the world over, but if detected early it can be treated successfully. Therefore, it is important to diagnose this disease at an early stage and to understand the biochemical changes associated [...] Read more.

Breast cancer is the most prevalent cause of cancer-associated death in women the world over, but if detected early it can be treated successfully. Therefore, it is important to diagnose this disease at an early stage and to understand the biochemical changes associated with cellular transformation and cancer progression. Deregulated lipid metabolism has been shown to contribute to cell transformation as well as cancer progression. In this study, we monitored the biomolecular changes associated with the transformation of a normal cell into an invasive cell associated with breast cancer using Raman microspectroscopy. We have utilized primary normal breast cells, and immortalized, transformed, non-invasive, and invasive breast cancer cells. The Raman spectra were acquired from all these cell lines under physiological conditions. The higher wavenumber (2800–3000 cm⁻¹) and lower wavenumber (700–1800 cm⁻¹) range of the Raman spectrum were analyzed and we observed increased lipid levels for invasive cells. The Raman spectral data were analyzed by principal component–linear discriminant analysis (PC-LDA), which resulted in the formation of distinct clusters for different cell types with a high degree of sensitivity. The subsequent testing of the PC-LDA analysis via the leave-one-out cross validation approach (LOOCV) yielded relatively high identification sensitivity. Additionally, the Raman spectroscopic results were confirmed through fluorescence staining tests with BODIPY and Nile Red biochemical assays. Furthermore, Raman maps from the above mentioned cells under fixed conditions were also acquired to visualize the distribution of biomolecules throughout the cell. The present study shows the suitability of Raman spectroscopy as a non-invasive, label-free, microspectroscopic technique, having the potential of probing changes in the biomolecular composition of living cells as well as fixed cells. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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3174 KiB

Open AccessArticle

Broadband 120 MHz Impedance Quartz Crystal Microbalance (QCM) with Calibrated Resistance and Quantitative Dissipation for Biosensing Measurements at Higher Harmonic Frequencies

by Manuel Kasper, Lukas Traxler, Jasmina Salopek, Herwig Grabmayr, Andreas Ebner and Ferry Kienberger

Biosensors 2016, 6(2), 23; https://doi.org/10.3390/bios6020023 - 25 May 2016

Cited by 17 | Viewed by 8824

Abstract

We developed an impedance quartz crystal microbalance (QCM) approach with the ability to simultaneously record mass changes and calibrated energy dissipation with high sensitivity using an impedance analyzer. This impedance QCM measures frequency shifts and resistance changes of sensing quartz crystals very stable, [...] Read more.

We developed an impedance quartz crystal microbalance (QCM) approach with the ability to simultaneously record mass changes and calibrated energy dissipation with high sensitivity using an impedance analyzer. This impedance QCM measures frequency shifts and resistance changes of sensing quartz crystals very stable, accurately, and calibrated, thus yielding quantitative information on mass changes and dissipation. Resistance changes below 0.3 Ω were measured with corresponding dissipation values of 0.01 µU (micro dissipation units). The broadband impedance capabilities allow measurements between 20 Hz and 120 MHz including higher harmonic modes of up to 11th order for a 10 MHz fundamental resonance frequency quartz crystal. We demonstrate the adsorbed mass, calibrated resistance, and quantitative dissipation measurements on two biological systems including the high affinity based avidin-biotin interaction and nano-assemblies of polyelectrolyte layers. The binding affinity of a protein-antibody interaction was determined. The impedance QCM is a versatile and simple method for accurate and calibrated resistance and dissipation measurements with broadband measurement capabilities for higher harmonics measurements. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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1769 KiB

Open AccessArticle

Infrared Spectroscopy of Bilberry Extract Water-in-Oil Emulsions: Sensing the Water-Oil Interface

by Johannes Kiefer, Kerstin Frank, Florian M. Zehentbauer and Heike P. Schuchmann

Biosensors 2016, 6(2), 13; https://doi.org/10.3390/bios6020013 - 14 Apr 2016

Cited by 25 | Viewed by 11371

Abstract

Water-in-oil (w/o) emulsions are of great interest in many areas of the life sciences, including food technology, bioprocess engineering, and pharmaceuticals. Such emulsions are complex multi-component systems and the molecular mechanisms which lead to a stable emulsion are yet to be fully understood. [...] Read more.

Water-in-oil (w/o) emulsions are of great interest in many areas of the life sciences, including food technology, bioprocess engineering, and pharmaceuticals. Such emulsions are complex multi-component systems and the molecular mechanisms which lead to a stable emulsion are yet to be fully understood. In this work, attenuated total reflection (ATR) infrared (IR) spectroscopy is applied to a series of w/o emulsions of an aqueous anthocyanin-rich bilberry extract dispersed in a medium chain triglyceride (MCT) oil phase. The content of the emulsifier polyglycerin-polyricinoleat (PGPR) has been varied systematically in order to investigate whether or not its concentration has an impact on the molecular stabilization mechanisms. The molecular stabilization is accessed by a careful analysis of the IR spectrum, where changes in the vibrational frequencies and signal strengths indicate alterations of the molecular environment at the water/oil interface. The results suggest that adding emulsifier in excess of 1% by weight does not lead to an enhanced stabilization of the emulsion. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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Review

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3432 KiB

Open AccessReview

Ramanomics: New Omics Disciplines Using Micro Raman Spectrometry with Biomolecular Component Analysis for Molecular Profiling of Biological Structures

by Andrey N. Kuzmin, Artem Pliss and Paras N. Prasad

Biosensors 2017, 7(4), 52; https://doi.org/10.3390/bios7040052 - 15 Nov 2017

Cited by 25 | Viewed by 6789

Abstract

Modern instrumentation for Raman microspectroscopy and current techniques in analysis of spectral data provide new opportunities to study molecular interactions and dynamics at subcellular levels in biological systems. Implementation of biomolecular component analysis (BCA) to microRaman spectrometry provides basis for the emergence of [...] Read more.

Modern instrumentation for Raman microspectroscopy and current techniques in analysis of spectral data provide new opportunities to study molecular interactions and dynamics at subcellular levels in biological systems. Implementation of biomolecular component analysis (BCA) to microRaman spectrometry provides basis for the emergence of Ramanomics, a new biosensing discipline with unprecedented capabilities to measure concentrations of distinct biomolecular groups in live cells and organelles. Here we review the combined use of microRaman-BCA techniques to probe absolute concentrations of proteins, DNA, RNA and lipids in single organelles of live cells. Assessing biomolecular concentration profiles of organelles at the single cell level provides a physiologically relevant set of biomarkers for cellular heterogeneity. In addition, changes to an organelle’s biomolecular concentration profile during a cellular transformation, whether natural, drug induced or disease manifested, can provide molecular insight into the nature of the cellular process. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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2020 KiB

Open AccessReview

Surface-Enhanced Raman Scattering-Based Immunoassay Technologies for Detection of Disease Biomarkers

by Joseph Smolsky, Sukhwinder Kaur, Chihiro Hayashi, Surinder K. Batra and Alexey V. Krasnoslobodtsev

Biosensors 2017, 7(1), 7; https://doi.org/10.3390/bios7010007 - 12 Jan 2017

Cited by 74 | Viewed by 14737

Abstract

Detection of biomarkers is of vital importance in disease detection, management, and monitoring of therapeutic efficacy. Extensive efforts have been devoted to the development of novel diagnostic methods that detect and quantify biomarkers with higher sensitivity and reliability, contributing to better disease diagnosis [...] Read more.

Detection of biomarkers is of vital importance in disease detection, management, and monitoring of therapeutic efficacy. Extensive efforts have been devoted to the development of novel diagnostic methods that detect and quantify biomarkers with higher sensitivity and reliability, contributing to better disease diagnosis and prognosis. When it comes to such devastating diseases as cancer, these novel powerful methods allow for disease staging as well as detection of cancer at very early stages. Over the past decade, there have been some advances in the development of platforms for biomarker detection of diseases. The main focus has recently shifted to the development of simple and reliable diagnostic tests that are inexpensive, accurate, and can follow a patient’s disease progression and therapy response. The individualized approach in biomarker detection has been also emphasized with detection of multiple biomarkers in body fluids such as blood and urine. This review article covers the developments in Surface-Enhanced Raman Scattering (SERS) and related technologies with the primary focus on immunoassays. Limitations and advantages of the SERS-based immunoassay platform are discussed. The article thoroughly describes all components of the SERS immunoassay and highlights the superior capabilities of SERS readout strategy such as high sensitivity and simultaneous detection of a multitude of biomarkers. Finally, it introduces recently developed strategies for in vivo biomarker detection using SERS. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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2391 KiB

Open AccessReview

Potential of Surface Enhanced Raman Spectroscopy (SERS) in Therapeutic Drug Monitoring (TDM). A Critical Review

by Aleksandra Jaworska, Stefano Fornasaro, Valter Sergo and Alois Bonifacio

Biosensors 2016, 6(3), 47; https://doi.org/10.3390/bios6030047 - 19 Sep 2016

Cited by 87 | Viewed by 11902

Abstract

Surface-Enhanced Raman Spectroscopy (SERS) is a label-free technique that enables quick monitoring of substances at low concentrations in biological matrices. These advantages make it an attractive tool for the development of point-of-care tests suitable for Therapeutic Drug Monitoring (TDM) of drugs with a [...] Read more.

Surface-Enhanced Raman Spectroscopy (SERS) is a label-free technique that enables quick monitoring of substances at low concentrations in biological matrices. These advantages make it an attractive tool for the development of point-of-care tests suitable for Therapeutic Drug Monitoring (TDM) of drugs with a narrow therapeutic window, such as chemotherapeutic drugs, immunosuppressants, and various anticonvulsants. In this article, the current applications of SERS in the field of TDM for cancer therapy are discussed in detail and illustrated according to the different strategies and substrates. In particular, future perspectives are provided and special concerns regarding the standardization of self-assembly methods and nanofabrication procedures, quality assurance, and technology readiness are critically evaluated. Full article

(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)

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