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19 pages, 2022 KiB  
Article
Q-Switched Nd:YAG Laser Treatment of Nocardia sp. Black Biofilm: Complete Biodeterioration Reversal in Limestone Heritage Conservation
by Shimaa Ibrahim, Rageh K. Hussein, Hesham Abdulla, Ghada Omar, Sharif Abu Alrub, Paola Grenni and Dina M. Atwa
Int. J. Mol. Sci. 2025, 26(16), 8064; https://doi.org/10.3390/ijms26168064 - 20 Aug 2025
Viewed by 294
Abstract
Stone cleaning for cultural heritage monuments is a critical conservation intervention that must effectively eliminate harmful surface contaminants while preserving the material’s physical, chemical, and historical integrity. This study investigated the removal of tenacious black biofilms formed by Nocardia species previously isolated from [...] Read more.
Stone cleaning for cultural heritage monuments is a critical conservation intervention that must effectively eliminate harmful surface contaminants while preserving the material’s physical, chemical, and historical integrity. This study investigated the removal of tenacious black biofilms formed by Nocardia species previously isolated from deteriorated limestone from the Bastet tomb in Tell Basta, Zagazig City, Egypt, using a Q-switched 1064 nm Nd:YAG laser. Experimental limestone specimens were systematically inoculated with Nocardia sp. under controlled laboratory conditions to simulate biodeterioration processes. Comprehensive testing revealed that a laser fluence of 0.03 J/cm2 with a 5 ns pulse duration, applied under wet conditions with 500 pulses, achieved the complete elimination of the biological black film without damaging the underlying stone substrate. The cleaning efficacy was evaluated through an integrated analytical framework combining stereomicroscopy, scanning electron microscopy coupled with energy-dispersive X-ray analysis (SEM-EDX), X-ray diffraction (XRD), and laser-induced plasma spectroscopy (LIPS). These analyses demonstrated a remarkable transformation from a compromised mineralogical composition dominated by gypsum (62%) and anhydrite (13%) to a restored state of 98% calcite, confirming the laser treatment’s effectiveness in reversing biodeterioration processes. SEM micrographs revealed the complete elimination of mycelial networks that had penetrated to depths between 984 μm and 1.66 mm, while LIPS analysis confirmed the restoration of elemental signatures to near-control levels. The successful application of LIPS for real-time monitoring during cleaning provides a valuable tool for preventing overcleaning, addressing a significant concern in laser conservation interventions. This research establishes evidence-based protocols for the non-invasive removal of Nocardia-induced black biofilms from limestone artifacts, offering conservation professionals a precise, effective, and environmentally sustainable alternative to traditional chemical treatments for preserving irreplaceable cultural heritage. Full article
(This article belongs to the Section Physical Chemistry and Chemical Physics)
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21 pages, 37808 KiB  
Article
Coarse-Graining and Classifying Massive High-Throughput XFEL Datasets of Crystallization in Supercooled Water
by Ervin S. H. Chia, Tim B. Berberich, Egor Sobolev, Jayanath C. P. Koliyadu, Patrick Adams, Tomas André, Fabio Dall Antonia, Sebastian Cardoch, Emiliano De Santis, Andrew Formosa, Björn Hammarström, Michael P. Hassett, Seonmyeong Kim, Marco Kloos, Romain Letrun, Janusz Malka, Diogo Melo, Stefan Paporakis, Tokushi Sato, Philipp Schmidt, Oleksii Turkot, Mohammad Vakili, Joana Valerio, Tej Varma Yenupuri, Tong You, Raphaël de Wijn, Gun-Sik Park, Brian Abbey, Connie Darmanin, Saša Bajt, Henry N. Chapman, Johan Bielecki, Filipe R. N. C. Maia, Nicusor Timneanu, Carl Caleman, Andrew V. Martin, Ruslan P. Kurta, Jonas A. Sellberg and Ne-te Duane Lohadd Show full author list remove Hide full author list
Crystals 2025, 15(8), 734; https://doi.org/10.3390/cryst15080734 - 19 Aug 2025
Viewed by 144
Abstract
Ice crystallization in supercooled water is a complex phenomenon with far-reaching implications across scientific disciplines, including cloud formation physics and cryopreservation. Experimentally studying such complexity can be a highly data-driven and data-hungry endeavor because of the need to record rare events that cannot [...] Read more.
Ice crystallization in supercooled water is a complex phenomenon with far-reaching implications across scientific disciplines, including cloud formation physics and cryopreservation. Experimentally studying such complexity can be a highly data-driven and data-hungry endeavor because of the need to record rare events that cannot be triggered on demand. Here, we describe such an experiment comprising 561 million images of X-ray free-electron laser (XFEL) diffraction patterns (2.3 PB raw data) spanning the disorder-to-order transition in micrometer-sized supercooled water droplets. To effectively analyze these patterns, we propose a data reduction (i.e., coarse-graining) and dimensionality reduction (i.e., principal component analysis) strategy. We show that a simple set of criteria on this reduced dataset can efficiently classify these patterns in the absence of reference diffraction signatures, which we validated using more precise but computationally expensive unsupervised machine learning techniques. For hit-finding, our strategy attained 98% agreement with our cross-validation. We speculate that these strategies may be generalized to other types of large high-dimensional datasets generated at high-throughput XFEL facilities. Full article
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10 pages, 701 KiB  
Article
Beyond Wave-Nature Signatures: h-Independent Transport in Strongly-Scattering Quasi-2D Quantum Channels
by Er’el Granot
Condens. Matter 2025, 10(3), 46; https://doi.org/10.3390/condmat10030046 - 14 Aug 2025
Viewed by 181
Abstract
The Landauer-Büttiker formalism provides a fundamental framework for mesoscopic transport, typically expressing conductance in units of the quantum of conductance, e2/h. Here, we present a theoretical study of electron transport in a quasi two-dimensional (2D) quantum wire. This system [...] Read more.
The Landauer-Büttiker formalism provides a fundamental framework for mesoscopic transport, typically expressing conductance in units of the quantum of conductance, e2/h. Here, we present a theoretical study of electron transport in a quasi two-dimensional (2D) quantum wire. This system features a wide transverse confinement and a longitudinal, high-energy, narrow potential barrier. The derivation, performed within the Landauer framework, yields an analytical expression for the total conductance that is explicitly independent of Planck’s constant (h). Instead, the conductance is found to depend solely on the Fermi energy, the electron effective mass, the wire width, and the effective barrier strength. We interpret this as an emergent phenomenon where the explicit signature of the electron’s wave-like nature, commonly manifest through Planck’s constant (h) in the overall scaling of conductance, is effectively absorbed within the energy- and geometry-dependent sum of transmission probabilities. This allows the conductance to be primarily governed by the Fermi energy, representing a ‘state-counting’ quantum parameter rather than more wave-like characteristic. Full article
(This article belongs to the Section Quantum Materials)
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14 pages, 3205 KiB  
Article
Typomorphic Characterization and Geological Significance of Megacrystalline Uraninite in the Haita Area, Kangdian Region, Southwestern China
by Minghui Yin, Zhengqi Xu, Bo Xie, Chengjiang Zhang and Jian Yao
Crystals 2025, 15(8), 718; https://doi.org/10.3390/cryst15080718 - 8 Aug 2025
Viewed by 266
Abstract
Megacrystalline uraninite within Neoproterozoic migmatites in the Haita area of the Kangdian region of China provides a unique condition for the investigation of uraninite typomorphism under high-temperature conditions. The present study represents the first systematic characterization of the typomorphic signatures and genetic significance [...] Read more.
Megacrystalline uraninite within Neoproterozoic migmatites in the Haita area of the Kangdian region of China provides a unique condition for the investigation of uraninite typomorphism under high-temperature conditions. The present study represents the first systematic characterization of the typomorphic signatures and genetic significance of megacrystalline uraninite via optical microscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XRS), and electron probe microanalysis (EPMA). The results show that uranium mineralization occurs as euhedral megacrystalline uraninite (black grains ≤ 10 mm) hosted in quartz veins, exhibiting frequent rhombic dodecahedral and subordinate cubic–octahedral morphologies. The paragenetic assemblage is quartz–uraninite–titanite–apatite–molybdenite. The investigated uraninite is characterized by elevated unit-cell parameters and a reduced oxygen index, with complex chemical compositions enriched in ThO2 and Y2O3. These typomorphic characteristics indicate crystallization under high-temperature reducing conditions with gradual cooling. Post-crystallization tectonic fragmentation and uplift-facilitated oxidation occur, generating secondary uranium minerals with concentric color zonation (orange–red to yellow–green halos). Mineralization was jointly controlled by migmatization and late-stage tectonism, with the breakup of the Rodinia supercontinent serving as the key driver of fluid mobilization and ore deposition. The data materialized in the present study improve our knowledge about uranium mineralization during continental breakup events. Full article
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15 pages, 7931 KiB  
Article
The Catalyzing Effect of Aggregates on the Fibrillation Pathway of Human Insulin: A Spectroscopic Investigation During the Lag Phase
by Giorgia Ciufolini, Alessandra Filabozzi, Angela Capocefalo, Francesca Ripanti, Angelo Tavella, Giulia Imparato, Alessandro Nucara and Marilena Carbone
Int. J. Mol. Sci. 2025, 26(15), 7599; https://doi.org/10.3390/ijms26157599 - 6 Aug 2025
Viewed by 190
Abstract
The kinetics of insulin aggregation and fibril formation were studied in vitro using Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FTIR) spectroscopy. Our investigation centered on the protein’s morphological and structural changes to better understand the transient molecular configurations that occur during [...] Read more.
The kinetics of insulin aggregation and fibril formation were studied in vitro using Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FTIR) spectroscopy. Our investigation centered on the protein’s morphological and structural changes to better understand the transient molecular configurations that occur during the lag phase. SEM images showed that, already at early incubation stages, a network of disordered pseudo-filaments, ranging in length between 200 and 500 nanometers, develops on the surface of large aggregates. At later stages, fibrils catalyzed by protein aggregates were observed. Principal Component Analysis (PCA) of the FTIR data identified signatures of intramolecular β-sheet secondary structures forming during the lag phase and at the onset of the exponential growth phase. These absorption bands are linked to secondary nucleation mechanisms due to their transient nature. This interpretation is further supported by a chemical equilibrium model, which yielded a reliable secondary nucleation rate constant, K2, on the order of 104 M−2 s−1. Full article
(This article belongs to the Special Issue Spectroscopic Techniques in Molecular Sciences)
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10 pages, 1191 KiB  
Article
RNA Sequencing on Muscle Biopsies from Exertional Rhabdomyolysis Patients Revealed Down-Regulation of Mitochondrial Function and Enhancement of Extracellular Matrix Composition
by Mingqiang Ren, Luke P. Michaelson, Ognoon Mungunsukh, Peter Bedocs, Liam Friel, Kristen Cofer, Carolyn E. Dartt, Nyamkhishig Sambuughin and Francis G. O’Connor
Genes 2025, 16(8), 930; https://doi.org/10.3390/genes16080930 - 2 Aug 2025
Viewed by 382
Abstract
Background/Objective: Exertional rhabdomyolysis (ER) is primarily driven by mechanical stress on muscles during strenuous or unaccustomed exercise, often exacerbated by environmental factors like heat and dehydration. While the general cellular pathway involving energy depletion and calcium overload is understood in horse ER models, [...] Read more.
Background/Objective: Exertional rhabdomyolysis (ER) is primarily driven by mechanical stress on muscles during strenuous or unaccustomed exercise, often exacerbated by environmental factors like heat and dehydration. While the general cellular pathway involving energy depletion and calcium overload is understood in horse ER models, the underlying mechanisms specific to the ER are not universally known within humans. This study aimed to evaluate whether patients with ER exhibited transcriptional signatures that were significantly different from those of healthy individuals. Methods: This study utilized RNA sequencing on skeletal muscle samples from 19 human patients with ER history, collected at a minimum of six months after the most recent ER event, and eight healthy controls to investigate the transcriptomic landscape of ER. To identify any alterations in biological processes between the case and control groups, functional pathway analyses were conducted. Results: Functional pathway enrichment analyses of differentially expressed genes revealed strong suppression of mitochondrial function. This suppression included the “aerobic electron transport chain” and “oxidative phosphorylation” pathways, indicating impaired energy production. Conversely, there was an upregulation of genes associated with adhesion and extracellular matrix-related pathways, indicating active restoration of muscle function in ER cases. Conclusions: The study demonstrated that muscle tissue exhibited signs of suppressed mitochondrial function and increased extracellular matrix development. Both of these facilitate muscle recovery within several months after an ER episode. Full article
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29 pages, 3064 KiB  
Review
Inelastic Electron Tunneling Spectroscopy of Molecular Electronic Junctions: Recent Advances and Applications
by Hyunwook Song
Crystals 2025, 15(8), 681; https://doi.org/10.3390/cryst15080681 - 26 Jul 2025
Viewed by 536
Abstract
Inelastic electron tunneling spectroscopy (IETS) has emerged as a powerful vibrational spectroscopy technique for molecular electronic junctions, providing unique insights into molecular vibrations and electron–phonon coupling at the nanoscale. In this review, we present a comprehensive overview of IETS in molecular junctions, tracing [...] Read more.
Inelastic electron tunneling spectroscopy (IETS) has emerged as a powerful vibrational spectroscopy technique for molecular electronic junctions, providing unique insights into molecular vibrations and electron–phonon coupling at the nanoscale. In this review, we present a comprehensive overview of IETS in molecular junctions, tracing its development from foundational principles to the latest advances. We begin with the theoretical background, detailing the mechanisms by which inelastic tunneling processes generate vibrational fingerprints of molecules, and highlighting how IETS complements optical spectroscopies by accessing electrically driven vibrational excitations. We then discuss recent progress in experimental techniques and device architectures that have broadened the applicability of IETS. Central focus is given to emerging applications of IETS over the last decade: molecular sensing (identification of chemical bonds and conformational changes in junctions), thermoelectric energy conversion (probing vibrational contributions to molecular thermopower), molecular switches and functional devices (monitoring bias-driven molecular state changes via vibrational signatures), spintronic molecular junctions (detecting spin excitations and spin–vibration interplay), and advanced data analysis approaches such as machine learning for interpreting complex tunneling spectra. Finally, we discuss current challenges, including sensitivity at room temperature, spectral interpretation, and integration into practical devices. This review aims to serve as a thorough reference for researchers in physics, chemistry, and materials science, consolidating state-of-the-art understanding of IETS in molecular junctions and its growing role in molecular-scale device characterization. Full article
(This article belongs to the Special Issue Advances in Multifunctional Materials and Structures)
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16 pages, 4284 KiB  
Article
Monitoring of Corrosion in Reinforced E-Waste Concrete Subjected to Chloride-Laden Environment Using Embedded Piezo Sensor
by Gaurav Kumar, Tushar Bansal and Dayanand Sharma
Constr. Mater. 2025, 5(3), 46; https://doi.org/10.3390/constrmater5030046 - 16 Jul 2025
Viewed by 550
Abstract
This study explores the use of embedded piezo sensor (EPS) employing the Electro-Mechanical Impedance (EMI) technique for real-time corrosion monitoring in reinforced E-waste concrete exposed to chloride-laden environments. With the growing environmental concerns over electronic waste (E-waste) and the demand for sustainable construction [...] Read more.
This study explores the use of embedded piezo sensor (EPS) employing the Electro-Mechanical Impedance (EMI) technique for real-time corrosion monitoring in reinforced E-waste concrete exposed to chloride-laden environments. With the growing environmental concerns over electronic waste (E-waste) and the demand for sustainable construction practices, printed circuit board (PCB) materials were incorporated as partial replacements for coarse aggregates in concrete. The experiment utilized M30-grade concrete mixes, substituting 15% of natural coarse aggregates with E-waste, aiming to assess both sustainability and structural performance without compromising durability. EPS configured with Lead Zirconate Titanate (PZT) patches were embedded into both conventional and E-waste concrete specimens. The EPS monitored the changes in the form of conductance and susceptance signatures across a 100–400 kHz frequency range during accelerated corrosion exposure over a 60-day period in a 3.5% NaCl solution. The corrosion progression was evaluated qualitatively through electrical impedance signatures, visually via rust formation and cracking, and quantitatively using the Root Mean Square Deviation (RMSD) of EMI signatures. The results showed that the EMI technique effectively captured the initiation and propagation stages of corrosion. E-waste concrete exhibited earlier and more severe signs of corrosion compared to conventional concrete, indicated by faster increases and subsequent declines in conductance and susceptance and higher RMSD values during the initiation phase. The EMI-based system demonstrated its capability to detect microstructural changes at early stages, making it a promising method for Structural Health Monitoring (SHM) of sustainable concretes. The study concludes that while the use of E-waste in concrete contributes positively to sustainability, it may compromise long-term durability in aggressive environments. However, the integration of EPS and EMI offers a reliable, non-destructive, and sensitive technique for real-time corrosion monitoring, supporting preventive maintenance and improved infrastructure longevity. Full article
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15 pages, 2185 KiB  
Article
High Sensitivity Online Sensor for BTEX in Ambient Air Based on Multiphoton Electron Extraction Spectroscopy
by Uriah H. Sharon, Lea Birkan, Valery Bulatov, Roman Schuetz, Tikhon Filippov and Israel Schechter
Sensors 2025, 25(14), 4268; https://doi.org/10.3390/s25144268 - 9 Jul 2025
Viewed by 511
Abstract
Benzene, toluene, ethylbenzene, and xylene (BTEX) are widespread volatile organic compounds commonly present in fuels and various industrial materials. Their release into the atmosphere significantly contributes to air pollution, prompting strict regulatory concentration limits in ambient air. In this work, we introduce Multiphoton [...] Read more.
Benzene, toluene, ethylbenzene, and xylene (BTEX) are widespread volatile organic compounds commonly present in fuels and various industrial materials. Their release into the atmosphere significantly contributes to air pollution, prompting strict regulatory concentration limits in ambient air. In this work, we introduce Multiphoton Electron Extraction Spectroscopy (MEES) as an innovative technique for the sensitive, selective, and online detection and quantitation of BTEX compounds under ambient conditions. MEES employs tunable UV laser pulses to induce the resonant ionization of target molecules under a high electrical field, with subsequent measurement of the generated photocurrent. We now demonstrate the method’s ability to detect BTEX in ambient air, at part-per-trillion (ppt) concentration range, providing distinct spectral signatures for each compound, including individual xylene isomers. The technique represents a significant advancement in BTEX monitoring, with potential applications in environmental sensing and industrial air quality control. Full article
(This article belongs to the Special Issue Advanced Spectroscopy-Based Sensors and Spectral Analysis Technology)
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23 pages, 4741 KiB  
Article
Advanced Diagnostic Techniques for Earthing Brush Faults Detection in Large Turbine Generators
by Katudi Oupa Mailula and Akshay Kumar Saha
Energies 2025, 18(14), 3597; https://doi.org/10.3390/en18143597 - 8 Jul 2025
Cited by 1 | Viewed by 298
Abstract
Large steam turbine generators are increasingly vulnerable to damage from shaft voltages and bearing currents due to the widespread adoption of modern power electronic excitation systems and more flexible operating regimes. Earthing brushes provide a critical path for discharging these shaft currents and [...] Read more.
Large steam turbine generators are increasingly vulnerable to damage from shaft voltages and bearing currents due to the widespread adoption of modern power electronic excitation systems and more flexible operating regimes. Earthing brushes provide a critical path for discharging these shaft currents and voltages, but their effectiveness depends on the timely detection of brush degradation or faults. Conventional monitoring of shaft voltage and current is often rudimentary, typically limited to peak readings, making it challenging to identify specific fault conditions before mechanical damage occurs. This study addresses this gap by systematically analyzing shaft voltage and current signals under various controlled earthing brush fault conditions (floating brushes, worn brushes, and oil/dust contamination) in several large turbine generators. Experimental site tests identified distinct electrical signatures associated with each fault type, demonstrating that online shaft voltage and current measurements can reliably detect and classify earthing brush faults. These include unique RMS, DC, and harmonic patterns in both voltage and current signals, enabling accurate fault classification. These findings highlight the potential for more proactive maintenance and condition-based monitoring, which can reduce unplanned outages and improve the reliability and safety of power generation systems. Full article
(This article belongs to the Section F1: Electrical Power System)
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17 pages, 2576 KiB  
Article
Discovery and Structural Characterization of a Novel Polymorph (Form III) of Alclometasone Dipropionate
by Gianfranco Lopopolo, M. Giovanna E. Papadopoulos, Corrado Cuocci, Giuseppe F. Mangiatordi, Antonio Lopalco, Emanuele Attolino and Rosanna Rizzi
Crystals 2025, 15(7), 627; https://doi.org/10.3390/cryst15070627 - 5 Jul 2025
Viewed by 327
Abstract
This study reports the discovery and structural characterization of a novel polymorph, designated as Form III, of Alclometasone dipropionate, a corticosteroid commonly used in the treatment of inflammatory dermatoses. Form III was obtained by modifying the crystallization conditions reported in prior art and [...] Read more.
This study reports the discovery and structural characterization of a novel polymorph, designated as Form III, of Alclometasone dipropionate, a corticosteroid commonly used in the treatment of inflammatory dermatoses. Form III was obtained by modifying the crystallization conditions reported in prior art and was thoroughly characterized using Powder X-ray Diffraction (PXRD), Fourier Transform Infrared (FT-IR) spectroscopy, melting-point determination, Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), including its first derivative (DTG), optical microscopy, and Scanning Electron Microscopy (SEM). In parallel, pure Form II, previously observed only in mixtures with Form I, was successfully isolated and characterized using the same analytical techniques. Both forms were compared in terms of structural, thermal, and morphological properties. PXRD analysis revealed that Form III crystallizes in a triclinic system; FT-IR spectroscopy revealed unique vibrational signatures, and microscopy showed rod-like crystal morphology. The discovery of Form III expands the current understanding of the solid-state landscape of Alclometasone dipropionate and opens opportunities for the identification of new industrial purification methods for the compound. Full article
(This article belongs to the Special Issue Celebrating the 10th Anniversary of International Crystallography)
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12 pages, 4829 KiB  
Article
Pressure-Induced Structural Stabilities and Superconductivity in Rhodium Borides
by Junyi Du, Weiguo Sun, Xiaofeng Li and Xinfang Su
Materials 2025, 18(13), 3125; https://doi.org/10.3390/ma18133125 - 1 Jul 2025
Viewed by 257
Abstract
Transition metal borides have garnered significant research interest due to their versatile properties, including superconductivity and exceptional hardness. This study examines the stable crystal structures of Rhodium-Boron (Rh-B) compounds under high pressure using first-principles structural searching. Beyond the previously known Rh2B, [...] Read more.
Transition metal borides have garnered significant research interest due to their versatile properties, including superconductivity and exceptional hardness. This study examines the stable crystal structures of Rhodium-Boron (Rh-B) compounds under high pressure using first-principles structural searching. Beyond the previously known Rh2B, RhB2, and RhB4 phases, three new boron-rich phases—C2/m-RhB6, Amm2-RhB6, and Cmca-RhB8—are identified, each characterized by three-dimensional covalent bonding networks. Their mechanical and thermodynamic stability is validated through elastic property assessments and phonon dispersion calculations. Surprisingly, these phases exhibit low bulk and shear moduli, ruling them out as candidates for hard materials. The metallic character of these borides is evident from their electronic density of states, which exhibits a sharp peak at the EF-a signature often associated with superconducting systems. Indeed, our calculations predict Tc values of 8.93 K and 9.36 K for Amm2-RhB6 and Cmca-RhB8, respectively, at 100 GPa. Full article
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14 pages, 17044 KiB  
Article
Evolution of Griffiths-like Anomaly in Isostructural Swedenborgite Compounds Ho1−xErxBaCo4O7+δ
by Biplab Pakhuria, Rafikul Ali Saha, Carlo Meneghini, Fabrice Bert, Shruti Kundu and Sugata Ray
Magnetochemistry 2025, 11(7), 55; https://doi.org/10.3390/magnetochemistry11070055 - 30 Jun 2025
Viewed by 464
Abstract
In this study, we investigate the presence of the Griffiths-like anomaly in the geometrically frustrated antiferromagnet HoBaCo4O7+δ and globally its absence in ErBaCo4O7+δ, despite only small differences in the ionic radii, f [...] Read more.
In this study, we investigate the presence of the Griffiths-like anomaly in the geometrically frustrated antiferromagnet HoBaCo4O7+δ and globally its absence in ErBaCo4O7+δ, despite only small differences in the ionic radii, f-electron occupancy, and the corresponding crystal structures of the Ho3+ and Er3+-members. Previous studies have identified the Griffiths phase in the Dy-analog, DyBaCo4O7+δ, suggesting certain inherent features of this class of materials that regularly give rise to such anomalies. To explore the curious disappearance of such an anomalous feature in ErBaCo4O7+δ, we prepared a series of compounds with varying compositions Ho1xErxBaCo4O7+δ (0x1) and systematically studied the evolution of various physical properties as a function of Er-doping. Our experimental studies, including X-ray diffraction (XRD), magnetic, X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), heat capacity, and muon spin relaxation spectroscopy (μSR spectroscopy), revealed that while the Griffiths-like anomaly indeed disappears with doping at the macroscopic level, signatures of inhomogeneity are retained in ErBaCo4O7+δ too, at least at the local level. Overall, our results highlight the significant role of ionic radius and local structural distortions in stabilizing the Griffiths phase in this class of systems. Full article
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21 pages, 2803 KiB  
Article
Pharmacogenomics and Pharmacometabolomics in Precision Tramadol Prescribing for Enhanced Pain Management: Evidence from QBB and EMR Data
by Dhoha Dhieb, Najeha Anwardeen, Dinesh Velayutham, Mohamed A. Elrayess, Puthen Veettil Jithesh and Kholoud Bastaki
Pharmaceuticals 2025, 18(7), 971; https://doi.org/10.3390/ph18070971 - 27 Jun 2025
Viewed by 449
Abstract
Background/Objectives: Tramadol is an opioid frequently prescribed for moderate to severe pain and has seen a global increase in use. This presents numerous challenges in clinical management. This study aims to elucidate metabolic signatures associated with tramadol consumption, enhancing predictive capabilities for [...] Read more.
Background/Objectives: Tramadol is an opioid frequently prescribed for moderate to severe pain and has seen a global increase in use. This presents numerous challenges in clinical management. This study aims to elucidate metabolic signatures associated with tramadol consumption, enhancing predictive capabilities for therapeutic outcomes and optimizing patient-specific treatment plans. Methods: Data were obtained from the Qatar Biobank (QBB), focusing on pharmacogenomic variants associated with tramadol use and prescription trends. A cohort of 27 individuals who were administered daily tramadol doses between 100 and 400 mg with available metabolomic profiles were selected. The pharmacokinetics of tramadol were evaluated in relation to specific CYP2D6 genetic variants. Comparative pharmacometabolomic profiles were generated for tramadol users versus a control group of 54 non-users. Additionally, prescription data encompassing tramadol formulations were collected from the electronic medical records (EMR) system of the major public hospital network in Qatar (Hamad Medical Corporation) to discern prescribing patterns. Results: From January 2019 to December 2022, tramadol prescriptions varied, with chronic pain as the primary indication, followed by acute pain. Pharmacogenomic analysis indicated that CYP2D6 allele variations significantly impacted tramadol and O-desmethyltramadol glucuronide levels, notably in ‘normal metabolizers’. Metabolomic analysis revealed distinct metabolic profiles in tramadol users, with significant variations in phosphatidylcholine, histidine, and lysine pathways compared to controls, highlighting tramadol’s unique biochemical impacts. Conclusions: This study underscores the importance of integrating genetic and omics-based approaches to enhance tramadol’s efficacy and safety. These findings support personalized pain management strategies, enhancing treatment outcomes for both chronic and acute pain. Full article
(This article belongs to the Special Issue Pharmacogenomics for Precision Medicine)
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12 pages, 8480 KiB  
Article
Chemical and Biological Properties of C-Point Obturation Cones
by Marina Angélica Marciano, Paulo Jorge Palma, Ana Cristina Padilha Janini, Brenda Fornazaro Moraes, Thiago Bessa Marconato Antunes, Ribamar Lazanha Lucateli, Bruno Martini Guimarães, Mariza Akemi Matsumoto, Diana Bela Sequeira, Talita Tartari, Brenda Paula Figueiredo Almeida Gomes and Marco Antonio Hungaro Duarte
Biomimetics 2025, 10(6), 409; https://doi.org/10.3390/biomimetics10060409 - 18 Jun 2025
Viewed by 433
Abstract
This study evaluated the chemical composition and subcutaneous tissue biocompatibility of C-Point, a root canal filling material, compared to ProTaper gutta-percha cones (control). Material characterization was conducted using scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS). For biocompatibility assessment, both materials were implanted subcutaneously [...] Read more.
This study evaluated the chemical composition and subcutaneous tissue biocompatibility of C-Point, a root canal filling material, compared to ProTaper gutta-percha cones (control). Material characterization was conducted using scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS). For biocompatibility assessment, both materials were implanted subcutaneously in the dorsal connective tissue of sixteen albino rats (n = 8 per group). Histological evaluation of inflammatory infiltrate intensity was performed at 30 and 60 days post-implantation, with statistical analysis (significance set at p < 0.05). SEM-EDS analysis revealed distinct elemental compositions: C-Point primarily contained zirconium and cobalt ions, while gutta-percha cones demonstrated a strong zinc signature with trace amounts of barium, aluminum, and sulfur. Both materials exhibited similar particulate morphology with radiopaque inclusions. Histologically, no significant difference in inflammatory response was observed between C-Point and gutta-percha at any time point (p > 0.05). All specimens developed a fibrous encapsulation. The inflammatory profile showed temporal dynamics, with lymphocyte predominance during early stages that progressively diminished by the study endpoint. These findings demonstrate that while C-Point possesses a unique elemental profile dominated by zirconium, its tissue biocompatibility parallels that of conventional gutta-percha obturation materials. However, due to the absence of mechanical testing and the limited in vivo follow-up period, the long-term stability of the material remains uncertain. Full article
(This article belongs to the Section Biomimetics of Materials and Structures)
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