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Optical Spectroscopy for Sensing, Monitoring and Analysis

A special issue of Sensors (ISSN 1424-8220). This special issue belongs to the section "Optical Sensors".

Deadline for manuscript submissions: 30 June 2024 | Viewed by 7476

Special Issue Editors


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Guest Editor
Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA
Interests: laser-induced breakdown spectroscopy; rare earth element detection; plant phenotyping

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Guest Editor
Radioisotope Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA
Interests: real-time monitoring; laser-induced breakdown spectroscopy; machine learning

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Guest Editor
College of Engineering, Virginia Commonwealth University, Richmond, VA 23284, USA
Interests: nuclear and chemical separation technology in fuel cycle research and development; electrochemical processes; special material detection and analysis via laser and mass spectroscopy techniques

Special Issue Information

Dear Colleagues,

There is a growing need for sensors that are capable of monitoring a plethora of analytes in complex and hazardous environments in real time. Optical spectroscopy is an ideal candidate for these sensor applications due to the intrinsic ability to send light to and from a measurement point using optics or fibers, thereby protecting expensive equipment from exposure. These applications of optical spectroscopy have seen rapid growth in their capabilities due to advances in equipment, modeling techniques, and sensor fusion. Outside of in situ analysis, similar advances have been made to enable the use of optical spectroscopy for further sample characterization.

This Special Issue therefore aims to put together original research and review articles on recent advances, technologies, solutions, applications, and new challenges in the field of optical spectroscopy for sensing, monitoring, and analysis.

Dr. Madhavi Martin
Dr. Hunter B Andrews
Dr. Supathorn Phongikaroon
Guest Editors

Manuscript Submission Information

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

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

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

Keywords

  • optical spectroscopy
  • laser spectroscopy
  • laser-induced breakdown spectroscopy
  • Raman spectroscopy
  • spectrophotometry
  • fluorescence spectroscopy
  • online monitoring
  • sensor fusion
  • chemometrics
  • machine learning

Published Papers (8 papers)

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Research

11 pages, 4599 KiB  
Communication
Emission Spectroscopy-Based Sensor System to Correlate the In-Cylinder Combustion Temperature of a Diesel Engine to NOx Emissions
by Jürgen Wultschner, Ingo Schmitz, Stephan Révidat, Johannes Ullrich and Thomas Seeger
Sensors 2024, 24(8), 2459; https://doi.org/10.3390/s24082459 - 11 Apr 2024
Viewed by 393
Abstract
Due to a rising importance of the reduction of pollutant, produced by conventional energy technologies, the knowledge of pollutant forming processes during a combustion is of great interest. In this study the in-cylinder temperature, of a near series diesel engine, is examined with [...] Read more.
Due to a rising importance of the reduction of pollutant, produced by conventional energy technologies, the knowledge of pollutant forming processes during a combustion is of great interest. In this study the in-cylinder temperature, of a near series diesel engine, is examined with a minimal invasive emission spectroscopy sensor. The soot, nearly a black body radiator, emits light, which is spectrally detected and evaluated with a modified function of Planck’s law. The results show a good correlation between the determined temperatures and the NOx concentration, measured in the exhaust gas of the engine, during a variety of engine operating points. A standard deviation between 25 K and 49 K was obtained for the in-cylinder temperature measurements. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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16 pages, 4179 KiB  
Article
Fluorescence Spectra of Prototropic Forms of Fluorescein and Some Derivatives and Their Potential Use for Calibration-Free pH Sensing
by Bernard Gauthier-Manuel, Chafia Benmouhoub and Bruno Wacogne
Sensors 2024, 24(5), 1705; https://doi.org/10.3390/s24051705 - 6 Mar 2024
Viewed by 544
Abstract
Fluorescence pH sensing has proven to be efficient but with the drawback that molecules photobleach, requiring frequent calibrations. Double-emission peak molecules allow ratiometric measurements and theoretically avoid calibration. However, they are often expensive and fragile and usually have very low quantum yields. Single [...] Read more.
Fluorescence pH sensing has proven to be efficient but with the drawback that molecules photobleach, requiring frequent calibrations. Double-emission peak molecules allow ratiometric measurements and theoretically avoid calibration. However, they are often expensive and fragile and usually have very low quantum yields. Single emission peaks such as fluorescein and derivatives are inexpensive and have very high quantum yields. Because they are single emission peaks, the pH is assumed to be derived from the ratio of emitted intensities at measured pH and at high pH values, i.e., they require frequent calibration. However, the shape of their single emitted peak evolves slightly with pH. In this paper, we first demonstrate a simple method to calculate the emission spectrum shape of each prototropic form of fluorescein (and derivatives) as well as the values of the pKas. A complete model of the evolution of the emission spectrum shape with pH is then constructed. Second, we evaluate the potential of these molecules for pH sensing by fitting the experimental spectra with the complete emission model. The method is applied to fluorescein, FITC and FAM. Depending on the molecule, pH can be measured from pH 1.9 to pH 7.3 with standard deviations between 0.06 and 0.08 pH units. Estimating pH and pKas from shape instead of intensity allows calibration-free measurements even with single-emission peak molecules. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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10 pages, 1753 KiB  
Article
Evaluating the Use of Vibrational Spectroscopy to Detect the Level of Adulteration of Cricket Powder in Plant Flours: The Effect of the Matrix
by Shanmugam Alagappan, Siyu Ma, Joseph Robert Nastasi, Louwrens C. Hoffman and Daniel Cozzolino
Sensors 2024, 24(3), 924; https://doi.org/10.3390/s24030924 - 31 Jan 2024
Viewed by 777
Abstract
Edible insects have been recognised as an alternative food or feed ingredient due to their protein value for both humans and domestic animals. The objective of this study was to evaluate the ability of both near- (NIR) and mid-infrared (MIR) spectroscopy to identify [...] Read more.
Edible insects have been recognised as an alternative food or feed ingredient due to their protein value for both humans and domestic animals. The objective of this study was to evaluate the ability of both near- (NIR) and mid-infrared (MIR) spectroscopy to identify and quantify the level of adulteration of cricket powder added into two plant proteins: chickpea and flaxseed meal flour. Cricket flour (CKF) was added to either commercial chickpea (CPF) or flaxseed meal flour (FxMF) at different ratios of 95:5% w/w, 90:10% w/w, 85:15% w/w, 80:20% w/w, 75:25% w/w, 70:30% w/w, 65:35% w/w, 60:40% w/w, or 50:50% w/w. The mixture samples were analysed using an attenuated total reflectance (ATR) MIR instrument and a Fourier transform (FT) NIR instrument. The partial least squares (PLS) cross-validation statistics based on the MIR spectra showed that the coefficient of determination (R2CV) and the standard error in cross-validation (SECV) were 0.94 and 6.68%, 0.91 and 8.04%, and 0.92 and 4.33% for the ALL, CPF vs. CKF, and FxMF vs. CKF mixtures, respectively. The results based on NIR showed that the cross-validation statistics R2CV and SECV were 0.95 and 3.16%, 0.98 and 1.74%, and 0.94 and 3.27% using all the samples analyzed together (ALL), the CPF vs. CKF mixture, and the FxMF vs. CKF mixture, respectively. The results of this study showed the effect of the matrix (type of flour) on the PLS-DA data in both the classification results and the PLS loadings used by the models. The different combination of flours (mixtures) showed differences in the absorbance values at specific wavenumbers in the NIR range that can be used to classify the presence of CKF. Research in this field is valuable in advancing the application of vibrational spectroscopy as routine tools in food analysis and quality control. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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15 pages, 11295 KiB  
Article
Development of a Nuclear Fuel Dissolution Monitor Based on Raman Spectroscopy
by Robert Lascola, Patrick E. O'Rourke and David M. Immel
Sensors 2024, 24(2), 607; https://doi.org/10.3390/s24020607 - 18 Jan 2024
Viewed by 726
Abstract
The processing of spent nuclear fuel and other nuclear materials is a critical component of nuclear material management with implications for global security. The first step of fuel processing is dissolution, with several charges of fuel sequentially added to a batch of solvent. [...] Read more.
The processing of spent nuclear fuel and other nuclear materials is a critical component of nuclear material management with implications for global security. The first step of fuel processing is dissolution, with several charges of fuel sequentially added to a batch of solvent. The incomplete dissolution of a charge precludes the addition of the next charge. As the dissolution takes place in a heated, highly corrosive and radiological vessel, direct monitoring of the process is not possible. We discuss the use of Raman spectroscopy to indirectly monitor dissolution through an analysis of the gaseous emissions from the dissolver. Challenges associated with the implementation of Raman spectroscopy include the composition and physical characteristics of the offgas stream and the impact of operating conditions. Nonetheless, we observed that NO2 concentrations serve as a reliable indicator of process activity and correlate to the amount of fuel material that remains undissolved. These results demonstrate the promise of the method for monitoring nuclear material dissolution. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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13 pages, 5166 KiB  
Article
Novel Calibration Approach for Monitoring Aerosol Hydrogen Isotopes Using Laser-Induced Breakdown Spectroscopy for Molten Salt Reactor Off-Gas Streams
by Hunter B. Andrews and Joanna McFarlane
Sensors 2023, 23(24), 9797; https://doi.org/10.3390/s23249797 - 13 Dec 2023
Viewed by 1004
Abstract
Online monitoring is a key challenge for the continued development of molten salt reactor (MSR) technology. Laser-induced breakdown spectroscopy (LIBS) has previously been demonstrated to be a viable tool for monitoring aerosolized species and noble gases in real time, but the ability to [...] Read more.
Online monitoring is a key challenge for the continued development of molten salt reactor (MSR) technology. Laser-induced breakdown spectroscopy (LIBS) has previously been demonstrated to be a viable tool for monitoring aerosolized species and noble gases in real time, but the ability to discern varying isotopes in these streams has not yet been investigated for MSR applications. Tritium will form in MSRs from ternary fission and from (n,α)-reactions occurring in lithium-containing salts. This study compares three spectrometers of varying resolutions and types for measuring hydrogen isotope shifts in LIBS spectra of wetted filter paper. For each spectrometer, multivariate models were built (i.e., principal component regression, partial least squares regression, and multivariate curve resolution) to quantify the isotope ratio. The top models were then modified and corrected to apply the models to aerosol samples with varying isotope ratios. This novel calibration strategy offers an 82% reduction in volume of the calibration samples needed and is a more viable pathway for calibrating deployable LIBS systems. Lastly, this calibration model was compared with an all-aerosol trained model for monitoring hydrogen isotopes during a real-time test where the protium/deuterium ratio, along with representative salt species (i.e., lithium, sodium, and potassium) were adjusted dynamically. Results of this test validated the predictive capabilities of the transferred model and highlighted the capabilities of LIBS for real-time monitoring of MSR effluent streams. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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13 pages, 5616 KiB  
Article
In Situ Water Quality Monitoring Using an Optical Multiparameter Sensor Probe
by Tobias Goblirsch, Thomas Mayer, Stefanie Penzel, Mathias Rudolph and Helko Borsdorf
Sensors 2023, 23(23), 9545; https://doi.org/10.3390/s23239545 - 30 Nov 2023
Cited by 3 | Viewed by 1283
Abstract
Optical methods such as ultraviolet/visible (UV/Vis) and fluorescence spectroscopy are well-established analytical techniques for in situ water quality monitoring. A broad range of bio-logical and chemical contaminants in different concentration ranges can be detected using these methods. The availability of results in real [...] Read more.
Optical methods such as ultraviolet/visible (UV/Vis) and fluorescence spectroscopy are well-established analytical techniques for in situ water quality monitoring. A broad range of bio-logical and chemical contaminants in different concentration ranges can be detected using these methods. The availability of results in real time allows a quick response to water quality changes. The measuring devices are configured as portable multi-parameter probes. However, their specification and data processing typically cannot be changed by users, or only with difficulties. Therefore, we developed a submersible sensor probe, which combines UV/Vis and fluorescence spectroscopy together with a flexible data processing platform. Due to its modular design in the hardware and software, the sensing system can be modified to the specific application. The dimension of the waterproof enclosure with a diameter of 100 mm permits also its application in groundwater monitoring wells. As a light source for fluorescence spectroscopy, we constructed an LED array that can be equipped with four different LEDs. A miniaturized deuterium–tungsten light source (200–1100 nm) was used for UV/Vis spectroscopy. A miniaturized spectrometer with a spectral range between 225 and 1000 nm permits the detection of complete spectra for both methods. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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13 pages, 8268 KiB  
Article
Ultrafast Laser-Excited Optical Emission of Xe under Loose-Focusing Conditions
by Miloš Burger, Kyle S. Latty, Leandro Frigerio, Thiago Arnaud, Kyle C. Hartig and Igor Jovanovic
Sensors 2023, 23(23), 9374; https://doi.org/10.3390/s23239374 - 23 Nov 2023
Viewed by 966
Abstract
The optical filament-based radioxenon sensing can potentially overcome the constraints of conventional detection techniques that are relevant for nuclear security applications. This study investigates the spectral signatures of pure xenon (Xe) when excited by ultrafast laser filaments at near-atmosphericpressure and in short and [...] Read more.
The optical filament-based radioxenon sensing can potentially overcome the constraints of conventional detection techniques that are relevant for nuclear security applications. This study investigates the spectral signatures of pure xenon (Xe) when excited by ultrafast laser filaments at near-atmosphericpressure and in short and loose-focusing conditions. The two focusing conditions lead to laser intensity differences of several orders of magnitude and different plasma transient behavior. The gaseous sample was excited at atmospheric pressure using ∼7 mJ pulses with a 35 fs pulse duration at 800 nm wavelength. The optical signatures were studied by time-resolved spectrometry and imaging in orthogonal light collection configurations in the ∼400 nm (VIS) and ∼800 nm (NIR) spectral regions. The most prominent spectral lines of atomic Xe are observable in both focusing conditions. An on-axis light collection from an atmospheric air–Xe plasma mixture demonstrates the potential of femtosecond filamentation for the remote sensing of noble gases. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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14 pages, 1768 KiB  
Article
Explorative Data Analysis Methods: Application to Laser-Induced Breakdown Spectroscopy Field Data Measured on the Island of Vulcano, Italy
by Kristin Rammelkamp, Susanne Schröder, Alessandro Pisello, Gianluigi Ortenzi, Frank Sohl and Vikram Unnithan
Sensors 2023, 23(13), 6208; https://doi.org/10.3390/s23136208 - 7 Jul 2023
Viewed by 1026
Abstract
One of the strengths of laser-induced breakdown spectroscopy (LIBS) is that a large amount of data can be measured relatively easily in a short time, which makes LIBS interesting in many areas, from geomaterial analysis with portable handheld instruments to applications for the [...] Read more.
One of the strengths of laser-induced breakdown spectroscopy (LIBS) is that a large amount of data can be measured relatively easily in a short time, which makes LIBS interesting in many areas, from geomaterial analysis with portable handheld instruments to applications for the exploration of planetary surfaces. Statistical methods, therefore, play an important role in analyzing the data to detect not only individual compositions but also trends and correlations. In this study, we apply two approaches to explore the LIBS data of geomaterials measured with a handheld device at different locations on the Aeolian island of Vulcano, Italy. First, we use the established method, principal component analysis (PCA), and second we adopt the principle of the interesting features finder (IFF), which was recently proposed for the analysis of LIBS imaging data. With this method it is possible to identify spectra that contain emission lines of minor and trace elements that often remain undetected with variance-based methods, such as PCA. We could not detect any spectra with IFF that were not detected with PCA when applying both methods to our LIBS field data. The reason for this may be the nature of our field data, which are subject to more experimental changes than data measured in laboratory settings, such as LIBS imaging data, for which the IFF was introduced first. In conclusion, however, we found that the two approaches complement each other well, making the exploration of the data more intuitive, straightforward, and efficient. Full article
(This article belongs to the Special Issue Optical Spectroscopy for Sensing, Monitoring and Analysis)
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