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Atomic Spectroscopy: Theories, Methods and Applications
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Atomic Spectroscopy: Theories, Methods and Applications

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Applied Physics General".

Deadline for manuscript submissions: closed (31 January 2022) | Viewed by 24763

Special Issue Editors

Prof. Dr. Barbara Wagner

E-Mail Website
Guest Editor
Faculty of Chemistry, University of Warsaw, Warsaw, Poland
Interests: analytical applications of atomic spectrometry; physical–chemical research of historic objects; laser microsampling in solid state research
Prof. Dr. Joanna Chwiej

E-Mail Website
Guest Editor
Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Krakow, Poland
Interests: use of spectroscopic methods for biomedical samples analysis; X-ray fluoresce spectroscopy and imaging; vibrational spectroscopy; chemometrics

Special Issue Information

Dear Colleagues,

Spectroscopic methods which are currently available are based on diverse measurement techniques, allowing to obtain both qualitative and quantitative information about elemental and molecular composition of samples. The vibrational spectra obtained using IR or Raman spectroscopy allow for collecting information on functional groups characteristic for analyzed compounds; the effects of interaction of electromagnetic radiation within the range of visible light allow measuring organic and inorganic components of variable samples, while elemental and isotopic composition might be determined based on evaluation of mass and atomic spectra. 
We have not even realized at which point, instead of identification of detailed bulk chemical information, we started to image two and/or three dimensional data of organic and inorganic composition with spatial resolution reaching nanometers. New theoretical conceptions, latest technical, and computational approaches as well as increasing computing power accompany our work at every step, making it even more fascinating than before.


In this Special Issue, we invite submissions exploring developments of atomic and molecular spectroscopic methods, analysis and interpretation of spectral data as well as examples of novel applications in bioanalytical, biomedical, environmental, forensic, and atmospheric sciences, as well as conservation science and archaeometry. Contributions stating both research papers and reviews are welcomed.

Prof. Dr. Barbara Wagner
Prof. Dr. Joanna Chwiej
Guest editors

Manuscript Submission Information

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Keywords

  • atomic and molecular spectroscopy
  • theoretical and technical development
  • new approaches to data analysis and interpretation
  • spectroscopic imaging
  • applications

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Published Papers (7 papers)

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Research

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15 pages, 2498 KiB  
Article
Laser Ablation ICP-MS Analysis of Chemically Different Regions of Rat Prostate Gland with Implanted Cancer Cells
by Anna Ruszczyńska, Dorota Skrajnowska, Agata Jagielska, Barbara Bobrowska-Korczak and Barbara Wagner
Appl. Sci. 2022, 12(3), 1474; https://doi.org/10.3390/app12031474 - 29 Jan 2022
Cited by 2 | Viewed by 2900
Abstract
The comparison of tissues analyzed by LA-ICP-MS is challenging in many aspects, both medical and mathematical. The concept of distinguishing regions of interest (ROIs) was proposed in the literature, allowing for data reduction and targeted comparative analysis. ROIs can be drawn before any [...] Read more.
The comparison of tissues analyzed by LA-ICP-MS is challenging in many aspects, both medical and mathematical. The concept of distinguishing regions of interest (ROIs) was proposed in the literature, allowing for data reduction and targeted comparative analysis. ROIs can be drawn before any analysis, by indicating the anatomical parts of tissue, or after the first step of analysis, by using elemental distribution maps and characteristic regions of enrichment in selected elements. A simple method for identifying different regions, without the manual extraction of image fragments, is highly needed in biological experiments, where large groups of individuals (with samples taken from each of them) is very common. In the present study, two ROIs were distinguished: (1) tissue-rich in fat (and tissue-poor in water); and (2) tissue-rich in water (and tissue-poor in fat). ROIs were extracted mathematically, using an algorithm based on the relationship between 13C and 23Na signal intensities. A cut-off point was indicated in the point of the simultaneous decrease in 13C and increase in 23Na signal intensity. Separate analyses of chemically different ROIs allow for targeted comparison, which is a great advantage of laser ablation over liquid introductions to ICP-MS. In the present experiment, tissues were provided from animals with implanted prostate cancer cells as well as supplemented with mineral compounds particularly important both for prostate gland functions (Zn and Se) and neoplastic processes (Ca, Fe, and Cu). One of the goals was to try to determine whether dietary supplementation qualitatively and quantitatively affects the mineral composition of the prostate gland. Full article
(This article belongs to the Special Issue Atomic Spectroscopy: Theories, Methods and Applications)
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13 pages, 6631 KiB  
Communication
A Miniature Permanent Magnet Assembly with Localized and Uniform Field with an Application to Optical Pumping of Helium
by Garnet Cameron, Jonathan Cuevas, Jeffrey Pound, Jr. and David Shiner
Appl. Sci. 2021, 11(19), 8886; https://doi.org/10.3390/app11198886 - 24 Sep 2021
Viewed by 1800
Abstract
Atomic state preparation can benefit from a compact and uniform magnetic field source. Simulations and experimental measurements have been used to design, build, and test such a source and then apply it to the optical pumping of atomic helium. This source is a [...] Read more.
Atomic state preparation can benefit from a compact and uniform magnetic field source. Simulations and experimental measurements have been used to design, build, and test such a source and then apply it to the optical pumping of atomic helium. This source is a 9.5 mm (3/8″) OD × 6.7 mm (1/4″) ID × 9.5 mm (3/8″) long, NdFeB-N42 assembly of 1.6 mm (1/16″) thick customized annular magnets. It has octupole decay with a residual dipole far field from imperfect dipole cancelations. Fast B-field decay localizes the field, minimizing the need for shielding in applications. It has a greater than 50% clear aperture with a uniform and collimated magnetic field consistent with the prediction of several models. The device is applied to a high precision 3,4He laser spectroscopy experiment using σ+ or σ− optical pumping currently resulting in a measured 99.3% preparation efficiency and in accordance with a rate equation model. Full article
(This article belongs to the Special Issue Atomic Spectroscopy: Theories, Methods and Applications)
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8 pages, 1960 KiB  
Article
Theoretical and Experimental Study of Optimization of Polarization Spectroscopy for the D2 Closed Transition Line of 87Rb Atoms
by Jeongyoun Jeong, Sanglok Lee, Sungi Hwang, Jaeuk Baek, Heung-Ryoul Noh and Geol Moon
Appl. Sci. 2021, 11(16), 7219; https://doi.org/10.3390/app11167219 - 5 Aug 2021
Cited by 4 | Viewed by 2345
Abstract
We experimentally and theoretically investigated the optimal condition of polarization spectroscopy for frequency stabilization on various pump beam intensities and vapor cell temperatures for the D2 closed transition line of 87Rb atoms. We compared the experimental results, such as the amplitude, [...] Read more.
We experimentally and theoretically investigated the optimal condition of polarization spectroscopy for frequency stabilization on various pump beam intensities and vapor cell temperatures for the D2 closed transition line of 87Rb atoms. We compared the experimental results, such as the amplitude, width, and slope, of the polarization spectroscopy signal with the theoretical results obtained from the numerical calculation of temporal density matrix equations. Based on the results, we found the optimal parameters, such as the pump beam intensity and vapor cell temperature, for polarization spectroscopy. The theoretically expected optimal parameters were, qualitatively, in good agreement with the experimental results. Full article
(This article belongs to the Special Issue Atomic Spectroscopy: Theories, Methods and Applications)
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11 pages, 1580 KiB  
Article
An Improved Methodology for Determination of Fluorine in Biological Samples Using High-Resolution Molecular Absorption Spectrometry via Gallium Fluorine Formation in a Graphite Furnace
by Andrzej Gawor, Andrii Tupys, Anna Ruszczyńska and Ewa Bulska
Appl. Sci. 2021, 11(12), 5493; https://doi.org/10.3390/app11125493 - 14 Jun 2021
Cited by 8 | Viewed by 3458
Abstract
Nowadays growing attention is paid to the control of fluorine content in samples of biological origin as it is present in the form of various biologically active organic compounds. Due to the chemically-rich matrix of biological tissues, the determination of fluorine becomes a [...] Read more.
Nowadays growing attention is paid to the control of fluorine content in samples of biological origin as it is present in the form of various biologically active organic compounds. Due to the chemically-rich matrix of biological tissues, the determination of fluorine becomes a very difficult task. Furthermore, a required complex sample preparation procedure makes the determination of the low contents of F by ion chromatography UV-Vis or ion-selective electrodes not possible. High-resolution continuum source graphite furnace molecular absorption spectrometry (HR-CS GF MAS) seems to be the best option for this purpose due to its high robustness to matrix interferences, especially in the presence of carefully selected modifiers. In this work the possibility of quantitative F determination in water and animal tissues was examined by measuring the molecular absorption of gallium monofluoride (GaF) at 211.248 nm with the use of a commercially available HR-CS GF MAS system. Experimental conditions for the sensitive and precise determination of fluorine were optimized, including the time/temperature program as well as addition of gallium and modifier mixture in combined mode. Under these conditions the fluoride present in the sample was stabilized up to 600 °C, and the optimum vaporization temperature for GaF was 1540 °C. Palladium and zirconium deposited onto the graphite surface served as solid modifiers; sodium acetate and ruthenium modifiers were added directly to the sample. The limit of detection and the characteristic mass of the method were 0.43 μg/L and 8.7 pg, respectively. The proposed procedure was validated by the use of certified reference materials (CRMs) of lake water and animal tissue; the acceptable recovery was obtained, proving that it can be applied for samples with a similar matrix. Full article
(This article belongs to the Special Issue Atomic Spectroscopy: Theories, Methods and Applications)
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8 pages, 1400 KiB  
Article
Demonstration of the Systematic Evaluation of an Optical Lattice Clock Using the Drift-Insensitive Self-Comparison Method
by Chihua Zhou, Xiaotong Lu, Benquan Lu, Yebing Wang and Hong Chang
Appl. Sci. 2021, 11(3), 1206; https://doi.org/10.3390/app11031206 - 28 Jan 2021
Cited by 3 | Viewed by 1782
Abstract
The self-comparison method is a powerful tool in the uncertainty evaluation of optical lattice clocks, but any drifts will cause a frequency offset between the two compared clock loops and thus lead to incorrect measurement result. We propose a drift-insensitive self-comparison method to [...] Read more.
The self-comparison method is a powerful tool in the uncertainty evaluation of optical lattice clocks, but any drifts will cause a frequency offset between the two compared clock loops and thus lead to incorrect measurement result. We propose a drift-insensitive self-comparison method to remove this frequency offset by adjusting the clock detection sequence. We also experimentally demonstrate the validity of this method in a one-dimensional 87Sr optical lattice clock. As the clock laser frequency drift exists, the measured frequency difference between two identical clock loops is (240 ± 34) mHz using the traditional self-comparison method, while it is (−15 ± 16) mHz using the drift-insensitive self-comparison method, indicating that this frequency offset is cancelled within current measurement precision. We further use the drift-insensitive self-comparison technique to measure the collisional shift and the second-order Zeeman shift of our clock and the results show that the fractional collisional shift and the second-order Zeeman shift are 4.54(28) × 10−16 and 5.06(3) × 10−17, respectively. Full article
(This article belongs to the Special Issue Atomic Spectroscopy: Theories, Methods and Applications)
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8 pages, 431 KiB  
Article
A Faraday Anomalous Dispersion Optical Filter Based on Rubidium Hollow-Cathode Lamp
by Liang Shen, Rui Ma, Longfei Yin, Bin Luo, Duo Pan, Song Yu, Jingbiao Chen and Hong Guo
Appl. Sci. 2020, 10(20), 7075; https://doi.org/10.3390/app10207075 - 12 Oct 2020
Cited by 1 | Viewed by 2378
Abstract
Using a hollow-cathode lamp (HCL) to build a Faraday anomalous dispersion optical filter (FADOF) is a new method to realize narrow linewidth optical filters. In contrast to other atomic optical filters based on saturated vapors, which work at a relatively high temperature to [...] Read more.
Using a hollow-cathode lamp (HCL) to build a Faraday anomalous dispersion optical filter (FADOF) is a new method to realize narrow linewidth optical filters. In contrast to other atomic optical filters based on saturated vapors, which work at a relatively high temperature to maintain the atomic density, the HCL device using sputtered particles can work at a much lower temperature. In this work, a rubidium HCL-based FADOF (HCL-FADOF) working at 780 nm is established and carefully tested. With 20 mm cathode length, the transmittance can reach 29% under 18 mA discharge current and 260 G magnetic field at room temperature, which is equivalent to the performance of a saturated vapor-based FADOF (VC-FADOF) at more than 60 ∘C. This work provides a direct comparison of the performance of the HCL-FADOF and the VC-FADOF, which is of great benefit to further studies of atomic filters at normal temperature. Full article
(This article belongs to the Special Issue Atomic Spectroscopy: Theories, Methods and Applications)
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Review

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48 pages, 9983 KiB  
Review
Current Progress in Femtosecond Laser Ablation/Ionisation Time-of-Flight Mass Spectrometry
by Marek Tulej, Niels F.W. Ligterink, Coenraad de Koning, Valentine Grimaudo, Rustam Lukmanov, Peter Keresztes Schmidt, Andreas Riedo and Peter Wurz
Appl. Sci. 2021, 11(6), 2562; https://doi.org/10.3390/app11062562 - 12 Mar 2021
Cited by 19 | Viewed by 8384
Abstract
The last decade witnessed considerable progress in the development of laser ablation/ionisation time-of-flight mass spectrometry (LI-TOFMS). The improvement of both the laser ablation ion sources employing femtosecond lasers and the method of ion coupling with the mass analyser led to highly sensitive element [...] Read more.
The last decade witnessed considerable progress in the development of laser ablation/ionisation time-of-flight mass spectrometry (LI-TOFMS). The improvement of both the laser ablation ion sources employing femtosecond lasers and the method of ion coupling with the mass analyser led to highly sensitive element and isotope measurements, minimisation of matrix effects, and reduction of various fractionation effects. This improvement of instrumental performance can be attributed to the progress in laser technology and accompanying commercialisation of fs-laser systems, as well as the availability of fast electronics and data acquisition systems. Application of femtosecond laser radiation to ablate the sample causes negligible thermal effects, which in turn allows for improved resolution of chemical surface imaging and depth profiling. Following in the footsteps of its predecessor ns-LIMS, fs-LIMS, which employs fs-laser ablation ion sources, has been developed in the last two decades as an important method of chemical analysis and will continue to improve its performance in subsequent decades. This review discusses the background of fs-laser ablation, overviews the most relevant instrumentation and emphasises their performance figures, and summarizes the studies on several applications, including geochemical, semiconductor, and bio-relevant materials. Improving the chemical analysis is expected by the implementation of laser pulse sequences or pulse shaping methods and shorter laser wavelengths providing current progress in mass resolution achieved in fs-LIMS. In parallel, advancing the methods of data analysis has the potential of making this technique very attractive for 3D chemical analysis with micrometre lateral and sub-micrometre vertical resolution. Full article
(This article belongs to the Special Issue Atomic Spectroscopy: Theories, Methods and Applications)
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