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Applications and Advancements of Spectroscopy
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Applications and Advancements of Spectroscopy

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Optics and Lasers".

Deadline for manuscript submissions: closed (30 June 2021) | Viewed by 47337

Special Issue Editors

Dr. Maria Teresa Caccamo

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Guest Editor
Dipartimento di Scienze Matematiche e Informatiche, Scienze Fisiche e Scienze della Terra, Università di Messina, 98166 Messina, Italy
Interests: structural and dynamical characterization of molecular systems; fourier transform infrared spectroscopy; Raman spectroscopy; neutron scattering; spectral analysis
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Salvatore Magazù

E-Mail Website
Guest Editor
Dipartimento di Scienze Matematiche e Informatiche, Scienze Fisiche e Scienze della Terra, Università di Messina, Messina, Italy
Interests: integrated spectroscopic techniques; climate modeling; weather modelling; complex systems
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Spectroscopic techniques constitute a powerful tool for characterizing molecular motions and characteristic properties of material systems.

The main goal of this Special Issue titled “Applications and Advancements of Spectroscopy” is to highlight the most recent applications and advancements in structural and dynamic investigations of material systems that belong to different disciplinary fields such as, for example, biophysics, condensed matter, cultural and natural heritage, and advanced technological materials.

The dealt spectroscopic techniques include Fourier transform infrared spectroscopy, Raman scattering, photon correlation spectroscopy, neutron scattering, nuclear magnetic resonances spectroscopy, X-ray spectroscopy, and ultrasonic techniques. The issue strongly encourages contributions highlighting, in an interdisciplinary way, how the integrated use of complementary techniques, giving information on different time and spatial scales and coupling with different system observables, has been revealed to be an effective approach for clarifying the properties of material systems at different complexity degrees.

Dr. Maria Teresa Caccamo
Prof. Dr. Salvatore Magazu
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. Applied Sciences 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 2400 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

  • Fourier transform infrared spectroscopy
  • Raman scattering
  • Photon correlation spectroscopy
  • Ultrasonic techniques
  • Neutron scattering
  • Nuclear magnetic resonance spectroscopy
  • X-ray spectroscopy

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Published Papers (6 papers)

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Research

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12 pages, 2883 KiB  
Article
Hot Resistance of Spores from the Thermophilic Bacillus horneckiae SBP3 of Shallow Hydrothermal Vent Origin Elucidated by Spectroscopic Analyses
by Vincenzo Zammuto, Maria Teresa Caccamo, Salvatore Magazù, Antonio Spanò, Salvatore Guglielmino and Concetta Gugliandolo
Appl. Sci. 2021, 11(9), 4256; https://doi.org/10.3390/app11094256 - 8 May 2021
Cited by 2 | Viewed by 2904
Abstract
Spores from Bacillus horneckiae SBP3 (SBP3) of shallow hydrothermal vent origin have recently been reported to survive extreme conditions more often than their close phylogenetic relatives B. horneckiae DSM 23495T (BHO) and B. subtilis 168 (BSU) used in biodosimetry and the space [...] Read more.
Spores from Bacillus horneckiae SBP3 (SBP3) of shallow hydrothermal vent origin have recently been reported to survive extreme conditions more often than their close phylogenetic relatives B. horneckiae DSM 23495T (BHO) and B. subtilis 168 (BSU) used in biodosimetry and the space microbiology model. To investigate the structures of unheated spores, Fourier-transform infrared spectroscopy (FTIR) analysis was used. The FTIR spectra of the spores from the strains SBP3, BHO and BSU mainly differed in the region that referred to lipids and amino acids or polypeptides, indicating that the SBP3 spores were richer in saturated fatty acids, and the protein structures of SBP3 and BHO spores were more aggregated and complex than those of BSU. SBP3 spores were more resistant (LD90 = 4.2 ± 0.3 min) to wet heat treatment (98 °C) than BHO (LD90 = 1.8 ± 0.2 min) and BSU (LD90 = 2.9 ± 0.5 min) spores were. In comparison to the untreated spores, the Raman spectra of the wet-heat-treated SBP3 spores showed minor variations in the bands that referred to proteins, whereas major changes were observed in the bands that referred to lipids and amide I in the heated BSU spores and to both lipids and proteins bands in the treated BHO spores. These results suggest that the major stability of SBP3 spore proteins could explain their greater resistance to wet heat compared to BHO and BSU. Our findings provide basic information for further comparative studies into spore responses to natural and laboratory stresses, which are useful in several different fields, such as astrobiology. Full article
(This article belongs to the Special Issue Applications and Advancements of Spectroscopy)
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9 pages, 1142 KiB  
Communication
Decomposition Factor Analysis Based on Virtual Experiments throughout Bayesian Optimization for Compost-Degradable Polymers
by Ryo Yamawaki, Akiyo Tei, Kengo Ito and Jun Kikuchi
Appl. Sci. 2021, 11(6), 2820; https://doi.org/10.3390/app11062820 - 22 Mar 2021
Cited by 12 | Viewed by 3283
Abstract
Bio-based polymers have been considered as an alternative to oil-based materials for their “carbon-neutral” environmentally degrative features. However, degradation is a complex system in which environmental factors and preparation conditions are involved, and the relationship between degradation and these factors/conditions has not yet [...] Read more.
Bio-based polymers have been considered as an alternative to oil-based materials for their “carbon-neutral” environmentally degrative features. However, degradation is a complex system in which environmental factors and preparation conditions are involved, and the relationship between degradation and these factors/conditions has not yet been clarified. Moreover, an efficient system that addresses multiple degradation factors has not been developed for practical use. Thus, we constructed a decomposition degree predictive model to explore degradation factors based on analytical data and experimental conditions. The predictive model was constructed by machine learning using a dataset. The objective variable was the molecular weight, and the explanatory variables were the moisture content in a compost environment, degradation period, degree of crystallinity pre-experiment, and features of solid-state nuclear magnetic resonance spectra. The good accuracy of this predictive model was confirmed by statistical variables. The moisture content in the compost environment was a critical factor for considering initial degradation; specific scores revealed the contribution of degradation factors. Furthermore, the optimum decomposition degree, various analytical values, and experimental conditions were predictable when this predictive model was combined with Bayesian optimization. Information obtained from virtual experiments is expected to promote the material design and development of bio-based plastics. Full article
(This article belongs to the Special Issue Applications and Advancements of Spectroscopy)
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19 pages, 3312 KiB  
Article
Advanced Chirp Transform Spectrometer with Novel Digital Pulse Compression Method for Spectrum Detection
by Quan Zhao, Ling Tong and Bo Gao
Appl. Sci. 2021, 11(3), 960; https://doi.org/10.3390/app11030960 - 21 Jan 2021
Cited by 2 | Viewed by 2034
Abstract
Based on chirp transform and pulse compression technology, chirp transform spectrometers (CTSs) can be used to perform high-resolution and real-time spectrum measurements. Nowadays, they are widely applied for weather and astronomical observations. The surface acoustic wave (SAW) filter is a key device for [...] Read more.
Based on chirp transform and pulse compression technology, chirp transform spectrometers (CTSs) can be used to perform high-resolution and real-time spectrum measurements. Nowadays, they are widely applied for weather and astronomical observations. The surface acoustic wave (SAW) filter is a key device for pulse compression. The system performance is significantly affected by the dispersion characteristics match and the large insertion loss of the SAW filters. In this paper, a linear phase sampling and accumulating (LPSA) algorithm was developed to replace the matched filter for fast pulse compression. By selecting and accumulating the sampling points satisfying a specific periodic phase distribution, the intermediate frequency (IF) chirp signal carrying the information of the input signal could be detected and compressed. Spectrum measurements across the entire operational bandwidth could be performed by shifting the fixed sampling points in the time domain. A two-stage frequency resolution subdivision method was also developed for the fast pulse compression of the sparse spectrum, which was shown to significantly improve the calculation speed. The simulation and experiment results demonstrate that the LPSA method can realize fast pulse compression with adequate high amplitude accuracy and frequency resolution. Compared to existing digital pulse compression technology, this method can significantly reduce the number of required calculations, especially for measurements of sparse signals. Full article
(This article belongs to the Special Issue Applications and Advancements of Spectroscopy)
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20 pages, 3742 KiB  
Article
A Novel Hybrid Strategy for Detecting COD in Surface Water
by Guiping Zhang, Qiaoling Du, Xinpo Lu and Yankai Wang
Appl. Sci. 2020, 10(24), 8801; https://doi.org/10.3390/app10248801 - 9 Dec 2020
Cited by 7 | Viewed by 2547
Abstract
The prediction of chemical oxygen demand (COD) by ultraviolet–visible absorption spectrum is a common method. Many researchers use the absorbance at the characteristic wavelength to establish COD prediction models. However, selecting the characteristic wavelength is a problem. In this paper, the extreme values [...] Read more.
The prediction of chemical oxygen demand (COD) by ultraviolet–visible absorption spectrum is a common method. Many researchers use the absorbance at the characteristic wavelength to establish COD prediction models. However, selecting the characteristic wavelength is a problem. In this paper, the extreme values of absorption spectrum change rate, was proposed as a new characteristic parameter to determine the characteristic wavelengths. On this basis, a novel hybrid strategy for detecting COD in surface water was proposed. We first proposed to combine the first derivative method with the permutation entropy method (FDPE) to determine the characteristic wavelengths. Then we used partial least square (PLS) to establish a COD prediction model. Experimental results demonstrated the linear correlation coefficient (R2) of the FDPE_PLS was above 0.99 without turbidity interference. Secondly, a dual-wavelength method (DWM) was proposed to determine the turbidity values. The DWM used slopes of absorbance values at 400 nm and 600 nm to predict the turbidity values. Compared with the single-wavelength method, the DWM improves the measurement accuracy of turbidity. Finally, a new turbidity compensation method was proposed to compensate for the interference in the first derivative spectrum. After compensation, FDPE_PLS can predict COD concentrations accurately, whose R2 was 0.99. Full article
(This article belongs to the Special Issue Applications and Advancements of Spectroscopy)
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11 pages, 1333 KiB  
Article
Thermal Investigations on Carbon Nanotubes by Spectroscopic Techniques
by Maria Teresa Caccamo, Giuseppe Mavilia and Salvatore Magazù
Appl. Sci. 2020, 10(22), 8159; https://doi.org/10.3390/app10228159 - 18 Nov 2020
Cited by 7 | Viewed by 2575
Abstract
Carbon nanotubes (CNTs) thanks to their unique physical properties have been employed in several innovative applications particularly for energy storage applications. Certain technical features of carbon nanotubes, such as their remarkable specific surface, mechanical strength, as well as their electron and thermal conductivity [...] Read more.
Carbon nanotubes (CNTs) thanks to their unique physical properties have been employed in several innovative applications particularly for energy storage applications. Certain technical features of carbon nanotubes, such as their remarkable specific surface, mechanical strength, as well as their electron and thermal conductivity are suitable for these applications. Furthermore, in order to produce a device, thermal treatment is needed and for this reason the trend of thermal decomposition of the tubes plays a key role in the integration process. The main purpose of this work was to characterize the thermal behavior of CNTs. In particular, we show the findings of an experimental study on CNTs performed by means of Fourier Transform InfraRed and Raman spectroscopy investigations. The collected FTIR and Raman spectra were analyzed by using two innovative procedures: spectral distance (SD) and wavelet cross correlation (XWT). From both analyses, a relaxation temperature value emerged of T = 206 °C, corresponding to a relaxation inflection point. Such a system relaxation phenomenon, occurring in the fiber CNTs, could be connected with the decay of the mechanical properties due to a decrease in the alignment and compaction of the fibers. Full article
(This article belongs to the Special Issue Applications and Advancements of Spectroscopy)
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Review

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18 pages, 2243 KiB  
Review
Advances on Water Quality Detection by UV-Vis Spectroscopy
by Yuchen Guo, Chunhong Liu, Rongke Ye and Qingling Duan
Appl. Sci. 2020, 10(19), 6874; https://doi.org/10.3390/app10196874 - 30 Sep 2020
Cited by 96 | Viewed by 32496
Abstract
Water resources are closely linked to human productivity and life. Owing to the deteriorating water resources environment, accurate and rapid determination of the main water quality parameters has become a current research hotspot. Ultraviolet-visible (UV-Vis) spectroscopy offers an effective tool for qualitative analysis [...] Read more.
Water resources are closely linked to human productivity and life. Owing to the deteriorating water resources environment, accurate and rapid determination of the main water quality parameters has become a current research hotspot. Ultraviolet-visible (UV-Vis) spectroscopy offers an effective tool for qualitative analysis and quantitative detection of contaminants in a water environment. In this review, the principle and application of UV-Vis technology in water quality detection were studied. The principle of UV-Vis spectroscopy for detecting water quality parameters and the method of modeling and analysis of spectral data were presented. Various UV-Vis technologies for water quality detection were reviewed according to the types of pollutants, such as chemical oxygen demand, heavy metal ions, nitrate nitrogen, and dissolved organic carbon. Finally, the future development of UV-Vis spectroscopy for the determination of water quality was discussed. Full article
(This article belongs to the Special Issue Applications and Advancements of Spectroscopy)
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