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Keywords = soft X-ray spectra

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16 pages, 3885 KiB  
Article
Synthesis and Properties of Bi1.8Mn0.5Ni0.5Ta2O9-Δ Pyrochlore
by Sergey V. Nekipelov, Olga V. Petrova, Alexandra V. Koroleva, Mariya G. Krzhizhanovskaya, Kristina N. Parshukova, Nikolay A. Sekushin, Boris A. Makeev and Nadezhda A. Zhuk
Chemistry 2025, 7(4), 119; https://doi.org/10.3390/chemistry7040119 - 25 Jul 2025
Viewed by 180
Abstract
Pyrochlore Bi1.8Mn0.5Ni0.5Ta2O9-Δ (sp.gr. Fd-3m, a = 10.5038(9) Å) was synthesized by the solid-phase reaction method and characterized by vibrational and X-ray spectroscopy. According to scanning electron microscopy, the ceramics are characterized by a [...] Read more.
Pyrochlore Bi1.8Mn0.5Ni0.5Ta2O9-Δ (sp.gr. Fd-3m, a = 10.5038(9) Å) was synthesized by the solid-phase reaction method and characterized by vibrational and X-ray spectroscopy. According to scanning electron microscopy, the ceramics are characterized by a porous microstructure formed by randomly oriented oblong grains. The average crystallite size determined by X-ray diffraction is 65 nm. The charge state of transition element cations in the pyrochlore was analyzed by soft X-ray spectroscopy using synchrotron radiation. For mixed pyrochlore, a characteristic shift of Bi4f and Ta4f and Ta5p spectra to the region of lower energies by 0.25 and 0.90 eV is observed compared to the binding energy in Bi2O3 and Ta2O5 oxides. XPS Mn2p spectrum of pyrochlore has an intermediate energy position compared to the binding energy in MnO and Mn2O3, which indicates a mixed charge state of manganese (II, III) cations. Judging by the nature of the Ni2p spectrum of the complex oxide, nickel ions are in the charge state of +(2+ζ). The relative permittivity of the sample in a wide temperature (up to 350 °C) and frequency range (25–106 Hz) does not depend on the frequency and exhibits a constant low value of 25. The minimum value of 4 × 10−3 dielectric loss tangent is exhibited by the sample at a frequency of 106 Hz. The activation energy of conductivity is 0.7 eV. The electrical behavior of the sample is modeled by an equivalent circuit containing a Warburg diffusion element. Full article
(This article belongs to the Section Inorganic and Solid State Chemistry)
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21 pages, 3581 KiB  
Article
Non-Destructive Detection of Pomegranate Blackheart Disease via Near-Infrared Spectroscopy and Soft X-ray Imaging Systems
by Rongke Nie, Xingyi Huang, Xiaoyu Tian, Shanshan Yu, Chunxia Dai, Xiaorui Zhang and Qin Fang
Foods 2025, 14(14), 2454; https://doi.org/10.3390/foods14142454 - 12 Jul 2025
Viewed by 227
Abstract
Pomegranate blackheart disease, as an internal disease affecting the global pomegranate industry, is difficult to identify externally and urgently requires non-destructive detection methods for rapid diagnosis. This study established discriminative models for blackheart disease severity in pomegranates by using near-infrared (NIR) spectroscopy and [...] Read more.
Pomegranate blackheart disease, as an internal disease affecting the global pomegranate industry, is difficult to identify externally and urgently requires non-destructive detection methods for rapid diagnosis. This study established discriminative models for blackheart disease severity in pomegranates by using near-infrared (NIR) spectroscopy and soft X-ray imaging techniques. The results showed that the optimal NIR-based discriminative model, constructed with a Random Forest (RF) algorithm based on spectra preprocessed by the second-derivative (D2) denoising and a Competitive Adaptive Reweighted Sampling (CARS) algorithm, achieved a prediction set accuracy of 86.00%; the optimal soft X-ray imaging-based discriminative model, built with an RF algorithm using textural features extracted from images preprocessed by median filtering and a Contrast-Limited Adaptive Histogram Equalization (CLAHE) algorithm combined with gray-level co-occurrence matrix (GLCM) and gray-gradient co-occurrence matrix (GGCM) algorithms, reached a prediction set accuracy of 93.10%. In terms of model performance, the model based on soft X-ray imaging exhibited superior performance. Both techniques possess distinct advantages and limitations yet enable non-destructive detection of pomegranate blackheart disease. Further technical optimizations in the future could provide enhanced support for the healthy development of the pomegranate industry. Full article
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20 pages, 3455 KiB  
Article
Pore Structure Characterization of Jurassic Sandstones in the Northeastern Ordos Basin: An Integrated Experimental and Inversion Approach
by Haiyang Yin, Tongjun Chen, Yueyue Li, Haicheng Xu and Wan Li
Minerals 2025, 15(5), 547; https://doi.org/10.3390/min15050547 - 20 May 2025
Viewed by 333
Abstract
Although Mercury Intrusion Porosimetry (MIP) and Nuclear Magnetic Resonance (NMR) are widely used for pore characterization, their effectiveness is fundamentally constrained by theoretical limitations. This study investigated the pore structure characteristics of coal-bearing sandstones from the northeastern Ordos Basin using an integrated approach [...] Read more.
Although Mercury Intrusion Porosimetry (MIP) and Nuclear Magnetic Resonance (NMR) are widely used for pore characterization, their effectiveness is fundamentally constrained by theoretical limitations. This study investigated the pore structure characteristics of coal-bearing sandstones from the northeastern Ordos Basin using an integrated approach combining experimental measurements and model-based inversion. The experimental measurements comprised a stress-dependent acoustic velocity test (P- and S-wave velocities), X-ray diffraction (XRD) mineralogical analysis, and NMR relaxation T2 spectra characterization. For model-based inversion, we developed an improved Mori-Tanaka (M-T) theoretical framework incorporating stress-sensitive pore geometry parameters and dual-porosity (stiff/soft) microstructure representation. Systematic analysis revealed four key findings: (1) excellent agreement between model-inverted and NMR-derived total porosity, with a maximum absolute error of 1.09%; (2) strong correlation between soft porosity and the third peak of T2 relaxation spectra; (3) stiff porosity governed by brittle mineral content (quartz and calcite), while soft porosity showing significant correlation with clay mineral abundance and Poisson’s ratio; and (4) markedly lower elastic moduli (28.78%–51.85%) in Zhiluo Formation sandstone compared to Yan’an Formation equivalents, resulting from differential diagenetic alteration despite comparable depositional settings. The proposed methodology advances conventional NMR analysis by simultaneously quantifying both pore geometry parameters (e.g., aspect ratios) and the stiff-to-soft pore distribution spectra. This established framework provides a robust characterization of the pore architecture in Jurassic sandstones, yielding deeper insights into sandstone pore evolution within the Ordos Basin. These findings provide actionable insights for water hazard mitigation and geological CO2 storage practices. Full article
(This article belongs to the Section Mineral Exploration Methods and Applications)
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29 pages, 4044 KiB  
Article
Adsorption and Thermal Stability of Ionic Liquid Multilayers on ZnO Surfaces
by Zoë Henderson, Jordan Cole, Andrew G. Thomas, Robert G. Jones, Michael Wagstaffe, José Avila, María C. Asensio, Zheshen Li and Karen L. Syres
Surfaces 2025, 8(2), 29; https://doi.org/10.3390/surfaces8020029 - 25 Apr 2025
Viewed by 675
Abstract
Ionic liquids (ILs) have been explored as a way of improving the performance of ZnO-based optoelectronic devices; however, there are few fundamental studies of the IL/ZnO interface. Here, the adsorption of the IL 1-octyl-3-methylimidazolium tetrafluoroborate [C8C1Im][BF4] on [...] Read more.
Ionic liquids (ILs) have been explored as a way of improving the performance of ZnO-based optoelectronic devices; however, there are few fundamental studies of the IL/ZnO interface. Here, the adsorption of the IL 1-octyl-3-methylimidazolium tetrafluoroborate [C8C1Im][BF4] on ZnO (0001) and ZnO (101¯0) has been studied using synchrotron-based soft X-ray photoelectron spectroscopy. The results indicate that [C8C1Im][BF4] is deposited intact on the ZnO (0001) surface; however, there is some dissociation of [BF4] anions, resulting in boron atoms attaching to the oxygen atoms in the ZnO surface and forming B2O3. In contrast, the deposition of [C8C1Im][BF4] on the ZnO (101¯0) surface at −150 °C results in the appearance of more chemical environments in the spectra. We propose that the high temperature of the IL evaporator causes some conversion of [C8C1Im][BF4] to a carbene–borane adduct, resulting in the deposition of both the IL and adduct onto the ZnO surface. The adsorption and desorption of the analogous IL 1-butyl-3-methylimidazolium tetrafluoroborate [C4C1Im][BF4] was investigated on ZnO (0001) using synchrotron-based soft X-ray photoelectron spectroscopy. The results indicate that [C4C1Im][BF4] is deposited largely intact at −150 °C and forms islands when heated to room temperature. When heated to over 80 °C, it begins to react with the ZnO surface and decomposes. This is a much lower temperature than the long-term thermal stability of the pure IL, quoted in the literature as ~400 °C, and of IL on powdered ZnO, quoted in the literature as ~300 °C. This indicates that the ZnO surface may catalyse the thermal decomposition of [C4C1Im][BF4] at lower temperatures. This is likely to have a negative impact on the potential use of ILs in ZnO-based photovoltaic applications, where operating temperatures can routinely reach 80 °C. Full article
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14 pages, 6876 KiB  
Article
Near-Edge X-Ray Absorption Fine-Structure Spectra and Specific Dissociation of Phe-Gly and Gly-Phe
by Tse-Fu Shen, Yu-Ju Chiang, Yi-Shiue Lin, Chen-Lin Liu, Yu-Chiao Wang, Kuan-Yi Chou, Cheng-Cheng Tsai and Wei-Ping Hu
Int. J. Mol. Sci. 2025, 26(6), 2515; https://doi.org/10.3390/ijms26062515 - 11 Mar 2025
Viewed by 821
Abstract
The total-ion-yield (TIY) near-edge X-ray absorption fine-structure (NEXAFS) spectra of two dipeptides were measured and analyzed to identify the excitation sites of core electrons and the corresponding destination molecular orbitals. Peptide molecules were transferred to the gaseous phase using traditional heating and MALDI [...] Read more.
The total-ion-yield (TIY) near-edge X-ray absorption fine-structure (NEXAFS) spectra of two dipeptides were measured and analyzed to identify the excitation sites of core electrons and the corresponding destination molecular orbitals. Peptide molecules were transferred to the gaseous phase using traditional heating and MALDI methods, ensuring that the resulting NEXAFS spectra and fragmentation products were consistent across both approaches. Mass spectra obtained at various excitation energies revealed the branching ratios of products at each energy level, offering insights into specific dissociation phenomena. Notably, variations in excitation energy demonstrated a selective dissociation process, with certain products forming more efficiently. This specificity appears closely linked to dissociations near the peptide bond, where the nodal planes of destination molecular orbitals are located. These findings were validated using both small peptide models and peptoid molecules, highlighting consistent patterns in the dissociation behavior. Full article
(This article belongs to the Section Molecular Informatics)
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12 pages, 784 KiB  
Article
Thermal Profile of Accretion Disk Around Black Hole in 4D Einstein–Gauss–Bonnet Gravity
by Odilbek Kholmuminov, Bakhtiyor Narzilloev and Bobomurat Ahmedov
Universe 2025, 11(2), 38; https://doi.org/10.3390/universe11020038 - 26 Jan 2025
Viewed by 837
Abstract
In this study, we investigate the properties of a thin accretion disk around a static spherically symmetric black hole in 4D Einstein–Gauss–Bonnet gravity, with an additional coupling constant, α, appearing in the spacetime metric. Using the Novikov–Thorne accretion disk model, we examine [...] Read more.
In this study, we investigate the properties of a thin accretion disk around a static spherically symmetric black hole in 4D Einstein–Gauss–Bonnet gravity, with an additional coupling constant, α, appearing in the spacetime metric. Using the Novikov–Thorne accretion disk model, we examine the thermal properties of the disk, finding that increasing α reduces the energy, angular momentum, and effective potential of a test particle orbiting the black hole. We demonstrate that α can mimic the spin of a Kerr black hole in general relativity up to a 0.23 M for the maximum value of α. Our analysis of the thermal radiation flux shows that larger α values increase the flux and shift its maximum towards the central black hole, while far from the black hole, the solution recovers the Schwarzschild limit. The impact of α on the radiative efficiency of the disk is weak but can slightly alter it. Assuming black-body radiation, we observe that the disk’s temperature peaks near its inner edge and is higher for larger α values. Lastly, the electromagnetic spectra reveal that the disk’s luminosity is lower in Einstein–Gauss–Bonnet gravity compared to general relativity, with the peak luminosity shifting toward higher frequencies, corresponding to the soft X-ray band as α increases. Full article
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21 pages, 6592 KiB  
Review
High-Energy Spectra of Black Hole and Neutron Star Low-Mass X-Ray Binaries
by Gábor Pszota
Universe 2024, 10(12), 446; https://doi.org/10.3390/universe10120446 - 3 Dec 2024
Viewed by 1042
Abstract
In the case of low-mass X-ray binaries, the companion star is often too faint for detection; therefore, there is no chance for dynamical studies to independently determine the mass of the compact object. In the absence of a mass estimate, one cannot make [...] Read more.
In the case of low-mass X-ray binaries, the companion star is often too faint for detection; therefore, there is no chance for dynamical studies to independently determine the mass of the compact object. In the absence of a mass estimate, one cannot make a distinction as to whether the binary hosts a black hole or neutron star. Therefore, the question arises whether this distinction can be made based on the X-ray data alone, even when there are no bursts or pulsations. These would automatically imply a neutron star, but they are not always present. Black hole systems are known to emit radiation with an unbroken power–law shape up to several hundred keV energies in their high/soft states. If the non-thermal Comptonization processes that are responsible for this are somehow related to the lack of a solid surface, and to the fact that more gravitational potential energy can be released for a black hole, then there would be a definite method to reliably distinguish between the two sources. This work intends to review the available observations and studies to compare how these two populations behave during their different spectral states. A conclusion can be made that high/soft-state spectra are really different for black holes and neutron stars, for the low/hard state; however, the same conclusion cannot be safely made. Full article
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23 pages, 2586 KiB  
Review
IXPE View of BH XRBs during the First 2.5 Years of the Mission
by Michal Dovčiak, Jakub Podgorný, Jiří Svoboda, James F. Steiner, Philip Kaaret, Henric Krawczynski, Adam Ingram, Vadim Kravtsov, Lorenzo Marra, Fabio Muleri, Javier A. García, Guglielmo Mastroserio, Romana Mikušincová, Ajay Ratheesh and Nicole Rodriguez Cavero
Galaxies 2024, 12(5), 54; https://doi.org/10.3390/galaxies12050054 - 25 Sep 2024
Cited by 3 | Viewed by 2188
Abstract
Accreting stellar-mass black holes represent unique laboratories for studying matter and radiation under the influence of extreme gravity. They are highly variable sources going through different accretion states, showing various components in their X-ray spectra from the thermal emission of the accretion disc [...] Read more.
Accreting stellar-mass black holes represent unique laboratories for studying matter and radiation under the influence of extreme gravity. They are highly variable sources going through different accretion states, showing various components in their X-ray spectra from the thermal emission of the accretion disc dominating in the soft state to the up-scattered Comptonisation component from an X-ray corona in the hard state. X-ray polarisation measurements are particularly sensitive to the geometry of the X-ray scatterings and can thus constrain the orientation and relative positions of the innermost components of these systems. The IXPE mission has observed about a dozen stellar-mass black holes with masses up to 20 solar masses in X-ray binaries with different orientations and in various accretion states. The low-inclination sources in soft states have shown a low fraction of polarisation. On the other hand, several sources in soft and hard states have revealed X-ray polarisation higher than expected, which poses significant challenges for theoretical interpretation, with 4U 1630–47 being one of the most puzzling sources. IXPE has measured the spin of three black holes via the measurement of their polarisation properties in the soft emission state. In each of the three cases, the new results agree with the constraints from the spectral observations. The polarisation observations of the black hole X-ray transient Swift J1727.8–1613 across its entire outburst has revealed that the soft-state polarisation is much weaker than the hard-state polarisation. Remarkably, the observations furthermore show that the polarisation of the bright hard state and that of the 100 times less luminous dim hard state are identical within the accuracy of the measurement. For sources with a radio jet, the electric field polarisation tends to align with the radio jet, indicating the equatorial geometry of the X-ray corona, e.g., in the case of Cyg X–1. In the unique case of Cyg X–3, where the polarisation is perpendicular to the radio jet, the IXPE observations reveal the presence and geometry of obscuring material hiding this object from our direct view. The polarisation measurements acquired by the IXPE mission during its first 2.5 years have provided unprecedented insights into the geometry and physical processes of accreting stellar-mass black holes, challenging existing theoretical models and offering new avenues for understanding these extreme systems. Full article
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15 pages, 4117 KiB  
Article
A Study of Interstellar Medium in the Line of Sight of Transient Neutron Star Low-Mass X-ray Binary, MXB 1659-298, by Timing and Spectral Analysis
by Rabindra Mahato, Parag Bhattacharya and Monmoyuri Baruah
Galaxies 2024, 12(4), 41; https://doi.org/10.3390/galaxies12040041 - 31 Jul 2024
Viewed by 1230
Abstract
This work is dedicated to the study of interstellar medium (ISM) along the line of sight (LOS) of the transient low-mass X-ray binary, MXB 1659-298, capitalizing the high resolving power of XMM-Newton in the soft energy range. We emphasized the analysis of reflection [...] Read more.
This work is dedicated to the study of interstellar medium (ISM) along the line of sight (LOS) of the transient low-mass X-ray binary, MXB 1659-298, capitalizing the high resolving power of XMM-Newton in the soft energy range. We emphasized the analysis of reflection grating spectrometer (RGS) data in the energy range 0.5–2.15 keV, suitable for the study of ISM. The paper includes an explanation of why, in the soft X-ray energy range, only two observations (out of seven) were deemed eligible for analysis. Three absorption lines associated with highly ionized Fe XX (1s22p2-2p2 (3p) 4d), Si XIV (1s2-1s2p), and Mg XI (1s2-1s6p) were identified in the observations, with IDs of 8620701(2001) and 748391601(2015). These new absorption lines and the absorption edge due to the neutral oxygen K edge seen in the spectra validate the multiphase structure of ISM. The predominance of interstellar medium over the ionized absorber is established along the direction of the source. The equivalent hydrogen column density measured is nearly equal to the galactic HI value derived previously. The small value of the ionic column density of Fe, Si, and Mg in the site of the high-temperature region resembles previous findings. Full article
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15 pages, 537 KiB  
Article
The First VHE Activity of OJ 287 and the Extragalactic Background Light
by Sameer Yadav and Pankaj Kushwaha
Galaxies 2024, 12(4), 34; https://doi.org/10.3390/galaxies12040034 - 30 Jun 2024
Cited by 1 | Viewed by 1458
Abstract
The BL Lacertae (BL Lac) object OJ 287 underwent an intense X-ray activity phase, exhibiting its brightest recorded X-ray flare in 2016–2017, characterized by much softer X-ray spectra and, concurrently, its first-ever recorded very-high-energy (VHE) emission (100–560 GeV), reported by the VERITAS observatory. [...] Read more.
The BL Lacertae (BL Lac) object OJ 287 underwent an intense X-ray activity phase, exhibiting its brightest recorded X-ray flare in 2016–2017, characterized by much softer X-ray spectra and, concurrently, its first-ever recorded very-high-energy (VHE) emission (100–560 GeV), reported by the VERITAS observatory. Broadband spectral energy distribution reveals a new jet emission component similar to high-synchrotron-peaked BL Lac objects, thereby implying the soft X-ray spectrum for the synchrotron emission. Using the advantage of simultaneous X-ray and VHE spectral information, as well as the source being a low-synchrotron-peaked BL Lac object, we systematically explored the extragalactic background light (EBL) spectrum by demanding that the VHE spectrum cannot be harder than the X-ray spectrum. We used three different phenomenological forms of the EBL spectral shape (power-law, parabola, and polynomial) motivated by current constraints on the EBL with the Bayesian Monte Carlo approach to infer the credible EBL range. Our study favors an almost flat power-law spectral shape and is consistent with previous studies. The other spectral forms capable of capturing curvature though result in a better statistics value; the improvement is statistically insignificant given the additional parameters. Full article
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16 pages, 2966 KiB  
Article
Convolutional Neural Network to Classify Infrared Thermal Images of Fractured Wrists in Pediatrics
by Olamilekan Shobayo, Reza Saatchi and Shammi Ramlakhan
Healthcare 2024, 12(10), 994; https://doi.org/10.3390/healthcare12100994 - 11 May 2024
Cited by 3 | Viewed by 2416
Abstract
Convolutional neural network (CNN) models were devised and evaluated to classify infrared thermal (IRT) images of pediatric wrist fractures. The images were recorded from 19 participants with a wrist fracture and 21 without a fracture (sprain). The injury diagnosis was by X-ray radiography. [...] Read more.
Convolutional neural network (CNN) models were devised and evaluated to classify infrared thermal (IRT) images of pediatric wrist fractures. The images were recorded from 19 participants with a wrist fracture and 21 without a fracture (sprain). The injury diagnosis was by X-ray radiography. For each participant, 299 IRT images of their wrists were recorded. These generated 11,960 images (40 participants × 299 images). For each image, the wrist region of interest (ROI) was selected and fast Fourier transformed (FFT) to obtain a magnitude frequency spectrum. The spectrum was resized to 100 × 100 pixels from its center as this region represented the main frequency components. Image augmentations of rotation, translation and shearing were applied to the 11,960 magnitude frequency spectra to assist with the CNN generalization during training. The CNN had 34 layers associated with convolution, batch normalization, rectified linear unit, maximum pooling and SoftMax and classification. The ratio of images for the training and test was 70:30, respectively. The effects of augmentation and dropout on CNN performance were explored. Wrist fracture identification sensitivity and accuracy of 88% and 76%, respectively, were achieved. The CNN model was able to identify wrist fractures; however, a larger sample size would improve accuracy. Full article
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17 pages, 5518 KiB  
Article
EUV Radiation in the Range of 10–20 nm from Liquid Spray Targets Containing O, Cl, Br and I Atoms under Pulsed Laser Excitation
by Valerie E. Guseva, Andrey N. Nechay, Alexander A. Perekalov and Nicolay I. Chkhalo
Photonics 2024, 11(5), 438; https://doi.org/10.3390/photonics11050438 - 8 May 2024
Cited by 1 | Viewed by 1247
Abstract
The article describes the results of an investigation to determine the values of radiation intensities emitted by O-, Cl-, Br-, and I-containing liquid spray targets in absolute units in the wavelength range 10–20 nm when excited by pulsed laser radiation. The conversion coefficients [...] Read more.
The article describes the results of an investigation to determine the values of radiation intensities emitted by O-, Cl-, Br-, and I-containing liquid spray targets in absolute units in the wavelength range 10–20 nm when excited by pulsed laser radiation. The conversion coefficients of laser radiation into the EUV radiation are given for some wavelengths. The authors’ specially designed pulse extrusion liquid supply system was used to form the liquid spray targets. An Nd:YAG laser with λ = 1064 nm, τ = 8.4 ns, and Epulse = 0.8 J was used to excite the targets. Spectral measurements were made using a grazing incidence grating spectrometer–monochromator. The absolute intensities of a number of emission lines were also measured using a Bragg spectrometer based on a Mo/Be multilayer X-ray mirror, calibrated by both sensitivity and wavelength. The high values of absolute intensities of the liquid targets in the extreme ultraviolet wavelength range were demonstrated. Full article
(This article belongs to the Special Issue Advances and Applications of Solid State Lasers)
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18 pages, 1983 KiB  
Article
Core-Hole Excitation Spectra of the Oxides and Hydrates of Fullerene C60 and Azafullerene C59N
by Xiong Li, Shuyi Wang, Jingdong Guo, Ziye Wu, Changrui Guo, Shaohong Cai and Mingsen Deng
Molecules 2024, 29(3), 609; https://doi.org/10.3390/molecules29030609 - 26 Jan 2024
Cited by 2 | Viewed by 1593
Abstract
The interaction of fullerenes and their derivatives with environmental molecules such as oxygen or water was crucial for the rational design of low-dimensional materials and devices. In this paper, the near-edge X-ray absorption fine structure (NEXAFS), X-ray emission spectroscopy (XES) and X-ray photoelectron [...] Read more.
The interaction of fullerenes and their derivatives with environmental molecules such as oxygen or water was crucial for the rational design of low-dimensional materials and devices. In this paper, the near-edge X-ray absorption fine structure (NEXAFS), X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) shake-up satellites were employed to distinguish the oxides and hydrates of the fullerene C60 and azafullerene C59N families. The study includes various isomers, such as the open [5,6] and closed [6,6] isomers of C60O, C60H(OH), C60-O-C60, C60H-O-C60H, C59N(OH) and C59N-O-C59N, based on density functional theory. These soft X-ray spectra offered comprehensive insights into the molecular orbitals of these azafullerene molecular groups. The oxygen K-edge NEXAFS, carbon and oxygen K-edge XPS shake-up satellite spectra provided valuable tools for distinguishing oxides or hydrates of fullerene C60 and azafullerene C59N. Our findings could significantly benefit the development of fullerene functional molecular materials and expand the application scope of soft X-ray spectroscopy as a molecular fingerprinting tool for the fullerene family. Full article
(This article belongs to the Special Issue Computational Chemistry Insights into Molecular Interactions)
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14 pages, 3372 KiB  
Article
β-Tricalcium Phosphate-Loaded Chitosan-Based Thermosensitive Hydrogel for Periodontal Regeneration
by Naiwen Tan, Maja Sabalic-Schoener, Linh Nguyen and Francesco D’Aiuto
Polymers 2023, 15(20), 4146; https://doi.org/10.3390/polym15204146 - 19 Oct 2023
Cited by 7 | Viewed by 2606
Abstract
The current treatment for periodontitis is aimed at resolving gingival inflammation, whilst complete periodontal tissue regeneration is not predictable, and it represents a therapeutic challenge. Injectable biomaterials hold tremendous potential in dental tissue regeneration. This study aimed to investigate the ability of an [...] Read more.
The current treatment for periodontitis is aimed at resolving gingival inflammation, whilst complete periodontal tissue regeneration is not predictable, and it represents a therapeutic challenge. Injectable biomaterials hold tremendous potential in dental tissue regeneration. This study aimed to investigate the ability of an injectable thermosensitive β-tricalcium phosphate (β-TCP) and chitosan-based hydrogel to carry cells and promote periodontal tissue regeneration. In this study, different concentrations of β-TCP-loaded chitosan hydrogels were prepared (0%, 2%, 4%, or 6% β-TCP, 10% β-glycerol phosphate, and 1.5% chitosan). The characteristics of the hydrogels were tested using rheology, a scanning electron microscope (SEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), degradation, and biological analyses. The new biomaterial showed a sol–gel transformation ability at body temperature and exhibited excellent chemical and physical characteristics, whilst the existence of β-TCP enhanced the structure and the properties of the hydrogels. The SEM confirmed the three-dimensional networks of the hydrogels, and the typical rheological properties of strong gel were observed. The EDX and XRD validated the successful incorporation of β-TCP, and similar patterns between different groups were found in terms of the FTIR spectra. The stable structure of the hydrogels under 100 °C was confirmed via DSC. Biological tests such as Alamar Blue assay and Live/Dead staining confirmed the remarkable biocompatibility of the hydrogels with pre-osteoblast MC3T3-E1 and human gingival fibroblast (HGF) cells for 14 days, and the results were validated with confocal imaging. This preliminary study shows great promise for the application of the β-TCP-loaded thermosensitive chitosan hydrogels as a scaffold in periodontal bone and soft tissue repair. Full article
(This article belongs to the Topic Advanced Functional Materials for Regenerative Medicine)
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17 pages, 3206 KiB  
Article
Role of Simple Spatial Gradient in Reinforcing the Accuracy of Temperature Determination of HED Plasma via Spectral Line-Area Ratios
by Greg A. Riggs, Mark E. Koepke, Ted S. Lane, Thomas E. Steinberger, Pawel M. Kozlowski and Igor E. Golovkin
Atoms 2023, 11(7), 104; https://doi.org/10.3390/atoms11070104 - 12 Jul 2023
Viewed by 1798
Abstract
We report on the simulation of temperature gradients in tamped NaFMgO target-foil plasma, heated and backlit by z-pinch dynamic hohlraum radiation. Our approach compares the spectroscopic output of a collisional-radiative model (prismspect) with soft X-ray absorption spectra collected on Sandia National [...] Read more.
We report on the simulation of temperature gradients in tamped NaFMgO target-foil plasma, heated and backlit by z-pinch dynamic hohlraum radiation. Our approach compares the spectroscopic output of a collisional-radiative model (prismspect) with soft X-ray absorption spectra collected on Sandia National Laboratories’ (SNL) Z Pulsed Power Facility. The pattern of minimum χ2 is seen to agree with an efficient, three-parameter model. Results show that a negligible gradient in electron temperature Te is consistent with experimental data, justifying the assumptions of previous work. The predicted sensitivity of line spectra to the gradient-aligned profile of Te is documented for each spectral feature, so that the line-area ratio between a pair of spectral features may be assessed as a proxy for the existence and quantification of such gradients. Full article
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