Article of the Year 2020
Evaluation of the Capability of Horizontal ATR-FTMIR and UV-Visible Spectroscopy in the Discrimination of Virgin Olive Oils from the Moroccan Region of Beni Mellal-KhenifraRead the full article
Journal of Spectroscopy publishes research into the theory and application of spectroscopy across all disciplines, including biology, chemistry, engineering, earth sciences, medicine, materials science, physics, and space science.
Chief Editor Dr Daniel Cozzolino is based at the University of Queensland, Australia. His research focuses on the developments of chemometric and spectroscopic methods for use in agriculture and food applications.
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Applying Energy-Dispersive X-Ray Fluorescence Analysis to Detect Tungsten Inclusions in Nuclear Fuel Rod End Plug TIG Welds
This study proposes a new method of detecting tungsten inclusions in nuclear fuel rod upper-end plug welds using energy-dispersive X-ray fluorescence (EDXRF) analysis. The Monte Carlo simulation method was used to simulate the process of detecting tungsten inclusions in nuclear fuel rod upper-end plug welds by the EDXRF. The detectable tungsten particle diameters in the zirconium alloy at different depths in welds and the detection limits of the trace tungsten dispersed in welds were obtained. Then, we constructed an experimental device that uses a CdTe detector with an X-ray tube. The results showed that the relative standard deviation of the net count rate of tungsten K-series characteristic X-rays [W (Kα)] was 1.46%, and the optimum parameters are a tube voltage of 150 kV and current of 0.5 mA. These values were used to perform energy-dispersive X-ray fluorescence analysis. These results were compared to the X-ray radiographic results, which were broadly similar. Furthermore, the results of EDXRF analysis were more legible and reliable than those from X-ray radiographic inspections. This study demonstrates the feasibility of applying EDXRF analysis to detect tungsten inclusions.
Rapid Screening and Estimation of Binding Constants for Interactions of Fe3+ with Two Metalloproteins, Apotransferrin and Transferrin, Using Affinity Mode of Capillary Electrophoresis
The interaction behavior of Fe3+ with transferrin and apotransferrin (iron-free form) was investigated in this study using affinity capillary electrophoresis. Change in the mass and charge of protein upon binding to the metal ion in the capillary tube led to variation in its migration time and was used to measure the noncovalent binding interactions by fast screening method. Acetanilide was used as the electroosmotic flow (EOF) marker to avoid possible errors due to the change in EOF during the experiment. The binding results were calculated from the mobility ratios of protein (Ri) and EOF marker (Rf) using the formula (Ri − Rf)/Rf or ∆R/Rf. For more comprehensive understanding, the kinetics of the interaction was studied and binding constants were calculated. Results showed that the Fe3+ displayed insignificant interaction with both proteins at lower metal ion concentrations (5–25 μmol/mL). However, transferrin exhibited significant interactions with the metal ion at 50 and 100 μmol/mL (ΔR/Rf = 0.0114 and 0.0201, resp.) concentrations and apotransferrin showed strong binding interactions (ΔR/Rf = −0.0254 and 0.0205, resp.) at relatively higher Fe3+ concentrations of 100 and 250 μmol/mL. The binding constants of 18.968 mmol−1 and −13.603 mmol−1 were recorded for Fe3+ interaction with transferrin and apotransferrin, respectively, showing significant interactions. Different binding patterns of Fe3+ with both proteins might be attributed to the fact that the iron-binding sites in transferrin have already been occupied, which was not the case in apotransferrin. The present study may be used as a reference for the investigation of protein-metal ion, drug-protein, drug-metal ion, and enzyme-metal ion interactions and may be helpful to provide preliminary insight into the new metal-based drug development.
Spectral Characteristics of Needle Array-Plate Dielectric Barrier Discharge Plasma and Its Activated Water
The plasma-activated water (PAW), as a new environmentally friendly nonthermal processing technology, has attracted wide attention for its applications in agriculture, food, and biomedical fields. This paper used the needle array-plate dielectric barrier discharge (needle array-plate DBD) device to activate deionized water and prepare PAW simply and efficiently. It was found that the concentration of reactive oxygen and nitrogen species (RONS) generated in the process of needle array-plate DBD was large and varied. Especially in the wavelength range of 600–770 nm, the spectral intensity is stronger. And, the ionic wind is more likely to interact with the deionized water. The changes in PAW parameters and UV/Vis spectra with treatment time were measured under different voltages and needle-dielectric plate distances. Results show that increasing discharge voltage or decreasing needle-dielectric plate distance increases the concentration of RONS, ionic wind speed, water evaporation, and conductivity of the PAW and decreases pH. UV/Vis spectra results show that prolonged treatment time results in increased total absorbance and concentrations of H2O2 and and that a new absorption peak appears at 210 nm in the UV/Vis spectra. When the wavelength is larger than 210 nm, a redshifted new peak and color enhancement are observed. The seeds of Astragalus adsurgens Pall were treated by discharge plasma, PAW, and the combination of plasma and PAW. It was found that high voltage and long-time activated PAW could significantly increase the ROS level of seeds and seedlings after germination for 3 days, resulting in oxidative stress damage. The survival rate of seeds was lower than that under the half lethal dose. This paper provides a feasible device design for treating activated water in large quantities with high efficiency, which is important for the application of PAW and mutation breeding of A. adsurgens Pall.
Study of the Effects of Heating on Organic Matter and Mineral Phases in Limestones
Color-induced changes in stones due to heating can be useful in determining the degree of degradation generated in their components and structure. We evaluate the effect of heating in three types of limestones, useful in building and restoration, corresponding to biomicrite (BC), biosparite (BS), and intramicrite (IM), in the range of temperature from 100°C to 600°C. Our analyses indicate that the strongest changes in reflectance occur in the samples of intramicrite, followed by biomicrite, being biosparite showing the smallest ones. Additionally, IM samples suffer the largest modifications in effective porosity due to the thermal treatment; in contrast, BS and BC samples show smaller temperature-induced alterations associated with smaller changes in reflectance. Moreover, we reveal that most of the thermally induced variations are associated, in this range of temperature, to the dehydroxylation of goethite that transforms into hematite, as well as by the burning and partial release of the organic matter present in the rock. Colorimetry analyses show that the sequence of thermally induced changes can be followed by the evolution of the three coordinates, L (lightness), a (red-green), and b (yellow-blue), of the CIE 1976 Lab space.
Monitoring Sea Ice in Liaodong Bay of Bohai Sea during the Freezing Period of 2017/2018 Using Sentinel-2 Remote Sensing Data
It is of great significance to monitor sea ice for relieving and preventing sea ice disasters. In this paper, the growth and development of sea ice in Liaodong Bay of Bohai Sea in China were monitored using Sentinel-2 remote sensing data during the freezing period from January to March in 2018. Based on the comprehensive analysis of the spectral characteristics of seawater and sea ice in visible bands, supplemented by the Normalized Difference Snow Index (NDSI) and the Normalized Difference Vegetation Index (NDVI), we proposed a new method based on decision tree classification for extracting sea ice types in Liaodong Bay of Bohai Sea. Using the remote sensing data of eight satellite overpasses acquired from Sentinel-2A/B satellites, the distribution and area of the different sea ice types in Liaodong Bay during the freezing period of 2017/2018 were obtained. Compared with the maximum likelihood (ML) classification method and the support vector machine (SVM) classification method, the proposed method has higher accuracy when discriminating the sea ice types, which proved the new method proposed in this paper is suitable for extracting sea ice types from Sentinel-2 optical remote sensing data in Liaodong Bay. And its classification accuracy reaches 88.05%. The whole process of evolution such as the growth and development of sea ice in Liaodong Bay during the freezing period from January to March in 2018 was monitored. The maximum area of sea ice was detected on 27 January 2018, about 10,187 km2. At last, the quantitative relationship model between the sea ice area and the mean near-surface temperature derived by MODIS data in Liaodong Bay was established. Through research, we found that the mean near-surface temperature was the most important factor for affecting the formation and melt of sea ice in Liaodong Bay.
Experimental and Theoretical Investigations of Terahertz Spectra of the Structural Isomers: Mannose and Galactose
The high-resolution terahertz spectra of the two structural isomers, mannose and galactose, have been measured by terahertz time-domain spectroscopy (THz-TDS) in the range of 0.5–4.0 THz at room temperature. Significant differences between these similar molecules have been found in their THz characteristic spectra, implying that THz-TDS is a powerful tool for identifying isomers. Structural analyses and normal mode calculations of the two systems were performed using solid-state density functional theory (DFT) with the PBE and PW91 density functionals as well as using gas-state DFT with B3LYP hybrid functional. Among these calculations, the solid-state simulated results obtained from the PBE method exhibit a good agreement with the experimentally measured spectra. According to the calculated results of PBE, the observed spectral features were assigned as primarily external lattice translations, deformations, and rotations with lesser contributions due to intramolecular motion of pyranose ring, CH2OH group, and hydroxyl groups.