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Search Results (150)

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39 pages, 5065 KiB  
Review
Electroexcitation of Nucleon Resonances and Emergence of Hadron Mass
by Patrick Achenbach, Daniel S. Carman, Ralf W. Gothe, Kyungseon Joo, Victor I. Mokeev and Craig D. Roberts
Symmetry 2025, 17(7), 1106; https://doi.org/10.3390/sym17071106 - 9 Jul 2025
Viewed by 282
Abstract
Developing an understanding of phenomena driven by the emergence of hadron mass (EHM) is one of the most challenging problems in the Standard Model. This discussion focuses on the impact of results on nucleon resonance (N*) electroexcitation amplitudes (or [...] Read more.
Developing an understanding of phenomena driven by the emergence of hadron mass (EHM) is one of the most challenging problems in the Standard Model. This discussion focuses on the impact of results on nucleon resonance (N*) electroexcitation amplitudes (or γvpN* electrocouplings) obtained from experiments during the 6 GeV era in Hall B at Jefferson Lab on understanding EHM. Analyzed using continuum Schwinger function methods (CSMs), these results have revealed new pathways for the elucidation of EHM. A good description of the Δ(1232)3/2+, N(1440)1/2+, and Δ(1600)3/2+ electrocouplings, achieved by CSM analyses that express a realistic dressed quark mass function, sheds light on the strong interaction dynamics underlying EHM. Extensions to N* studies for higher-mass states are outlined, as well as experimental results anticipated in the 12 GeV era at Jefferson Lab and those that would be enabled by a further increase in the beam energy to 22 GeV. Full article
(This article belongs to the Special Issue The Symmetry of QCD Matter and Functional QCD Approaches)
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26 pages, 7464 KiB  
Article
Pore Structure and Multifractal Characteristics of the Upper Lianggaoshan Formation in the Northeastern Sichuan Basin, China
by Jingjing Guo, Guotao Luo, Haitao Wang and Liehui Zhang
Fractal Fract. 2025, 9(7), 430; https://doi.org/10.3390/fractalfract9070430 - 30 Jun 2025
Viewed by 285
Abstract
The Upper Lianggaoshan (LGS) Formation in the northeastern Sichuan Basin, composed of shale with interbedded siltstone, is a promising target layer for shale oil. Accurate evaluation of pore structures is essential for effective exploration of shale oil. This study investigated pore structures of [...] Read more.
The Upper Lianggaoshan (LGS) Formation in the northeastern Sichuan Basin, composed of shale with interbedded siltstone, is a promising target layer for shale oil. Accurate evaluation of pore structures is essential for effective exploration of shale oil. This study investigated pore structures of siltstone and shale samples from the Upper LGS Formation using low-pressure CO2 adsorption (LTCA), low-temperature N2 adsorption (LTNA), high-pressure mercury intrusion (HPMI), and nuclear magnetic resonance (NMR) methods. The single-exponent and multifractal dimensions of samples were determined, and the relationships between fractal dimensions and pore structures were explored. Results show that the pore size distribution (PSD) of siltstone and shale samples exhibits multi-peak characteristics, with mesopores (2–50 nm) being dominant in the total pore volumes. The multi-scaled pores in shale and siltstone samples exhibit fractal characteristics. The average values of single-fractal dimensions (D1, D2) obtained by LTNA data are 2.39 and 2.62 for shale samples, and 2.24 and 2.59 for siltstone samples, respectively. Compared to siltstones, the pore structures of shale samples exhibit greater complexity, indicated by larger fractal dimensions. The samples from subsections Liang 2 and Liang 3 exhibit greater heterogeneity compared to subsection Liang 1. The single-fractal dimensions of micropores and mesopores show positive correlations with specific surface area (SSA) and pore volume (PV), while the fractal dimension of macropores shows a negative correlation with average pore diameter and median radius. The average values of single-fractal dimension D3 obtained from HPMI data are 2.9644 and 2.9471 for shale and siltstone samples, respectively, indicating more complex structures of macropores in shale samples compared to siltstone samples. The average value of ΔDNMR and singularity strength range Δα obtained by a multifractal model for core samples from subsection Liang 1 are 1.868 and 2.155, respectively, which are the smallest among all of the three subsections, indicating that the heterogeneity of pore structures of subsection Liang 1 is the weakest. This research provides valuable guidance for shale oil development in the northeastern Sichuan Basin, China. Full article
(This article belongs to the Special Issue Analysis of Geological Pore Structure Based on Fractal Theory)
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32 pages, 11250 KiB  
Article
Novel Dielectric Resonator-Based Microstrip Filters with Adjustable Transmission and Equalization Zeros
by David Espinosa-Adams, Sergio Llorente-Romano, Vicente González-Posadas, José Luis Jiménez-Martín and Daniel Segovia-Vargas
Electronics 2025, 14(13), 2557; https://doi.org/10.3390/electronics14132557 - 24 Jun 2025
Viewed by 501
Abstract
This work presents a comprehensive technological study of dielectric resonator-based microstrip filters (DRMFs), encompassing the design, fabrication, and rigorous characterization of the TE01δ mode. Through systematic coupling analysis, we demonstrate filters featuring novel input–output coupling techniques and innovative implementations of [...] Read more.
This work presents a comprehensive technological study of dielectric resonator-based microstrip filters (DRMFs), encompassing the design, fabrication, and rigorous characterization of the TE01δ mode. Through systematic coupling analysis, we demonstrate filters featuring novel input–output coupling techniques and innovative implementations of both transmission zeros (4-2-0 configuration) and equalization zeros (4-0-2 configuration), specifically designed for demanding space and radar receiver applications, while the loaded quality factor (QL) and insertion loss do not match those of dielectric resonator cavity filters (DRCFs), our solution significantly surpasses conventional microstrip filters (MFs), achieving QL> 3000 compared to typical QL≈ 200 for coupled-line MFs in X-band. The fabricated filters exhibit exceptional performance as follows: input reflection (S11) below −18 dB (4-2-0) and −16.5 dB (4-0-2), flat transmission response (S21), and out-of-band rejection exceeding −30 dB. Mechanical tuning enables precise control of input–output coupling, inter-resonator coupling, cross-coupling, and frequency synthesis, while equalization zeros provide tailored group delay characteristics. This study positions DRMFs as a viable intermediate technology for high-performance RF systems, bridging the gap between conventional solutions. Full article
(This article belongs to the Special Issue Advances in Low Power Circuit and System Design and Applications)
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17 pages, 306 KiB  
Review
Stable Isotope Analysis of Alcoholic Beverages: A Review
by Alberto Roncone and Luana Bontempo
Beverages 2025, 11(3), 89; https://doi.org/10.3390/beverages11030089 - 10 Jun 2025
Viewed by 683
Abstract
Alcoholic beverages represent a sector of significant economic and cultural importance but are also susceptible to fraud and adulteration, which can compromise their quality and authenticity. Isotopic analyses have become increasingly valuable tools for tracing the geographical origin and ensuring the quality control [...] Read more.
Alcoholic beverages represent a sector of significant economic and cultural importance but are also susceptible to fraud and adulteration, which can compromise their quality and authenticity. Isotopic analyses have become increasingly valuable tools for tracing the geographical origin and ensuring the quality control of products such as wine, beer, and distilled spirits. This literature review examines the main isotopic analysis techniques employed in this field, including Isotope Ratio Mass Spectrometry (IRMS) and Site-Specific Natural Isotope Fractionation by Nuclear Magnetic Resonance (SNIF-NMR), with a particular focus on the insights derived from the isotopic ratios of various elements, notably δ(2H), δ(13C), δ(18O), δ(15N) and δ(34S). Full article
23 pages, 5181 KiB  
Article
Fractal Characterization and NMR Analysis of Curing-Dependent Pore Structures in Cemented Tailings Waste RockBackfill
by Jianhui Qiu, Xin Xiong and Keping Zhou
Fractal Fract. 2025, 9(6), 367; https://doi.org/10.3390/fractalfract9060367 - 4 Jun 2025
Cited by 1 | Viewed by 553
Abstract
This study investigates the coupled effects of waste rock-to-tailings ratio (WTR) and curing temperature on the pore structure and mechanical performance of cemented tailings waste rock backfill (CTRB). Four WTRs (6:4, 7:3, 8:2, 9:1) and curing temperatures (20–50 °C) were tested. Low-field nuclear [...] Read more.
This study investigates the coupled effects of waste rock-to-tailings ratio (WTR) and curing temperature on the pore structure and mechanical performance of cemented tailings waste rock backfill (CTRB). Four WTRs (6:4, 7:3, 8:2, 9:1) and curing temperatures (20–50 °C) were tested. Low-field nuclear magnetic resonance (NMR) was used to characterize pore size distributions and derive fractal dimensions (Da, Db, Dc) at micropore, mesopore, and macropore scales. Uniaxial compressive strength (UCS) and elastic modulus (E) were also measured. The results reveal that (1) the micropore structure complexity was found to be a key indicator of structural refinement, while excessive temperature led to pore coarsening and strength reduction. Da = 2.01 reaches its peak at WTR = 7:3 and curing temperature = 40 °C; (2) at this condition, the UCS and E achieved 20.5 MPa and 1260 MPa, increasing by 45% and 38% over the baseline (WTR = 6:4, 20 °C); (3) when the temperature exceeded 40 °C, Da dropped significantly (e.g., to 1.51 at 50 °C for WTR = 7:3), indicating thermal over-curing and micropore coarsening; (4) correlation analysis showed strong negative relationships between total pore volume and mechanical strength (R = −0.87 for δavs.UCS), and a positive correlation between Da and UCS (R = 0.43). (5) multivariate regression models incorporating pore volume fractions, T2 relaxation times, and fractal dimensions predicted UCS and E with R2 > 0.98; (6) the hierarchical sensitivity of fractal dimensions follows the order micro-, meso-, macropores. This study provides new insights into the microstructure–mechanical performance relationship in CTRB and offers a theoretical and practical basis for the design of high-performance backfill materials in deep mining environments. Full article
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18 pages, 1065 KiB  
Review
Multimodal Neuroimaging of Obesity: From Structural-Functional Mechanisms to Precision Interventions
by Wenhua Liu, Na Li, Dongsheng Tang, Lang Qin and Zhiqiang Zhu
Brain Sci. 2025, 15(5), 446; https://doi.org/10.3390/brainsci15050446 - 25 Apr 2025
Cited by 1 | Viewed by 1117
Abstract
Purpose: Obesity’s metabolic consequences are well documented; however, its neurobiological underpinnings remain elusive. This systematic review addresses a critical gap by synthesizing evidence on obesity-induced neuroplasticity across structural, functional, and molecular domains through advanced neuroimaging. Methods: According to PRISMA guidelines, we systematically searched [...] Read more.
Purpose: Obesity’s metabolic consequences are well documented; however, its neurobiological underpinnings remain elusive. This systematic review addresses a critical gap by synthesizing evidence on obesity-induced neuroplasticity across structural, functional, and molecular domains through advanced neuroimaging. Methods: According to PRISMA guidelines, we systematically searched (2015–2024) across PubMed/Web of Science, employing MeSH terms: (“Obesity” [Majr]) AND (“Neuroimaging” [Mesh] OR “Magnetic Resonance Imaging” [Mesh]). A total of 104 studies met the inclusion criteria. The inclusion criteria required the following: (1) multimodal imaging protocols (structural MRI/diffusion tensor imaging/resting-state functional magnetic resonance imaging (fMRI)/positron emission tomography (PET)); (2) pre-/post-intervention longitudinal design. Risk of bias was assessed via the Newcastle-Ottawa Scale. Key Findings: 1. Structural alterations: 7.2% mean gray matter reduction in prefrontal cortex (Cohen’s d = 0.81). White matter integrity decline (FA reduction β = −0.33, p < 0.001) across 12 major tracts. 2. Functional connectivity: Resting-state hyperactivity in mesolimbic pathways (fALFF + 23%, p-FDR < 0.05). Impaired fronto–striatal connectivity (r = −0.58 with BMI, 95% CI [−0.67, −0.49]). 3. Interventional reversibility: Bariatric surgery restored prefrontal activation (Δ = +18% vs. controls, p = 0.002). Neurostimulation (transcranial direct current stimulation (tDCS) enhanced cognitive control (post-treatment β = 0.42, p = 0.009). Conclusion: 1. Obesity induces multidomain neural reorganization beyond traditional reward circuits. 2. Neuroimaging biomarkers (e.g., striatal PET-dopamine binding potential) predict intervention outcomes (AUC = 0.79). 3. Precision neuromodulation requires tripartite integration of structural guidance, functional monitoring, and molecular profiling. Findings highlight neuroimaging’s pivotal role in developing stage-specific therapeutic strategies. Full article
(This article belongs to the Special Issue Application of MRI in Brain Diseases)
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18 pages, 6741 KiB  
Article
Competitive Ligand-Induced Recruitment of Coactivators to Specific PPARα/δ/γ Ligand-Binding Domains Revealed by Dual-Emission FRET and X-Ray Diffraction of Cocrystals
by Shotaro Kamata, Akihiro Honda, Sayaka Yashiro, Chihiro Kaneko, Yuna Komori, Ayumi Shimamura, Risa Masuda, Takuji Oyama and Isao Ishii
Antioxidants 2025, 14(4), 494; https://doi.org/10.3390/antiox14040494 - 20 Apr 2025
Viewed by 830
Abstract
Peroxisome proliferator-activated receptors (PPARs), composed of the α/δ/γ subtypes, are ligand-activated nuclear receptors/transcription factors that sense endogenous fatty acids or therapeutic drugs to regulate lipid/glucose metabolism and oxidative stress. PPAR forms a multiprotein complex with a retinoid X receptor and corepressor complex in [...] Read more.
Peroxisome proliferator-activated receptors (PPARs), composed of the α/δ/γ subtypes, are ligand-activated nuclear receptors/transcription factors that sense endogenous fatty acids or therapeutic drugs to regulate lipid/glucose metabolism and oxidative stress. PPAR forms a multiprotein complex with a retinoid X receptor and corepressor complex in an unliganded/inactive state, and ligand binding induces the replacement of the corepressor complex with the coactivator complex to initiate the transcription of various genes, including the metabolic and antioxidant ones. We investigated the processes by which the corepressor is replaced with the coactivator or in which two coactivators compete for the PPARα/δ/γ-ligand-binding domains (LBDs) using single- and dual-emission fluorescence resonance energy transfer (FRET) assays. Single-FRET revealed that the respective PPARα/δ/γ-selective agonists (pemafibrate, seladelpar, and pioglitazone) induced the dissociation of the two corepressor peptides, NCoR1 and NCoR2, from the PPARα/δ/γ-LBDs and the recruitment of the two coactivator peptides, CBP and TRAP220. Meanwhile, dual-FRET demonstrated that these processes are simultaneous and that the four coactivator peptides, CBP, TRAP220, PGC1α, and SRC1, were competitively recruited to the PPARα/δ/γ-LBDs with different preferences upon ligand activation. Furthermore, the five newly obtained cocrystal structures using X-ray diffraction, PPARα-LBDs–NCoR2/CBP/TRAP220/PGC1α and PPARγ-LBD–NCoR2, were co-analyzed with those from our previous studies. This illustrates that these coactivators bound to the same PPARα-LBD loci via their consensus LXXLL motifs in the liganded state; that NCoR1/NCoR2 corepressors bound to the same loci via the IXXXL sequences within their consensus LXXXIXXXL motifs in the unliganded state; and that ligand activation induced AF-2 helix 12 formation that interfered with corepressor binding and created a binding space for the coactivator. These PPARα/γ-related biochemical and physicochemical findings highlight the coregulator dynamics on limited PPARα/δ/γ-LBDs loci. Full article
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14 pages, 5411 KiB  
Article
Study on the Preparation and Modification of a Novel Bio-Based Cardanol-Furfurylamine Oxazine Resin
by Jing Wang and Riwei Xu
Polymers 2025, 17(8), 1084; https://doi.org/10.3390/polym17081084 - 17 Apr 2025
Viewed by 393
Abstract
In this study, a novel bio-based oxazine resin was synthesized through the reaction of naturally renewable materials: cardanol and furfurylamine. The molecular structure of the target product was confirmed via comprehensive characterization techniques, including Fourier-transform Infrared Spectroscopy (FT-IR), Gel Permeation Chromatography (GPC), Mass [...] Read more.
In this study, a novel bio-based oxazine resin was synthesized through the reaction of naturally renewable materials: cardanol and furfurylamine. The molecular structure of the target product was confirmed via comprehensive characterization techniques, including Fourier-transform Infrared Spectroscopy (FT-IR), Gel Permeation Chromatography (GPC), Mass Spectrometry (MS), and Nuclear Magnetic Resonance (NMR). Differential Scanning Calorimetry (DSC) revealed that the curing process of cardanol-furfurylamine oxazine (CFZ) exhibited three exothermic peaks (~140, ~240, ~270 °C), which not only helped to optimize the processing conditions but also effectively enhanced the material properties. In the modification experiments, CFZ had been blended and cured with benzoxazine (BZ) at the mass ratios of 2:98, 5:95, 10:90, 20:80, and 40:60. Dynamic Mechanical Thermal Analysis (DMTA) further showed an elevated Loss Factor (tan δ) peak of CFZ-BZ resin, suggesting significantly enhanced toughness. Notably, when the content of the CFZ resin in the composite reached only 5%, the storage modulus achieved its maximum value, highlighting that minimal addition of CFZ resin can optimize the rigidity of the composite, which would drastically reduce material costs and simplify the process. Impact strength testing demonstrated that the impact resistance of CFZ-BZ resin was 6.42 times higher than that of pristine BZ. By integrating renewable materials with rational molecular design, this novel oxazine resin synergistically combines high-temperature resistance, superior toughness, and efficient modification at low loading, positioning it as a promising candidate to replace conventional petroleum-based resins in aerospace, renewable energy, and electronic packaging applications. Full article
(This article belongs to the Special Issue Synthesis and Application of Epoxy-Based Polymeric Materials)
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13 pages, 8870 KiB  
Article
Ni-Doped Pr0.5Ba0.5CoO3+δ Perovskite with Low Polarization Resistance and Thermal Expansivity as a Cathode Material for Solid Oxide Fuel Cells
by Runze Sun, Songbo Li, Lele Gao, Shengli An, Zhen Yan, Huihui Cao, Qiming Guo and Mengxin Li
Molecules 2025, 30(7), 1482; https://doi.org/10.3390/molecules30071482 - 27 Mar 2025
Viewed by 518
Abstract
Solid oxide fuel cells (SOFCs) have become promising devices for converting chemical energy into electrical energy. Altering the microstructure of cathode materials to enhance the activity and stability of the oxygen reduction reaction is particularly important. Herein, Pr0.5Ba0.5Co1−X [...] Read more.
Solid oxide fuel cells (SOFCs) have become promising devices for converting chemical energy into electrical energy. Altering the microstructure of cathode materials to enhance the activity and stability of the oxygen reduction reaction is particularly important. Herein, Pr0.5Ba0.5Co1−XNiXO3+δ with a tetragonal perovskite structure was synthesized through the sol–gel method. The polarization resistance of the symmetrical half-cell with Pr0.5Ba0.5Co0.9Ni0.1O3+δ as the cathode was 0.041 Ω·cm2 at 800 °C and 0.118 Ω·cm2 lower than that of the symmetrical cell with Pr0.5Ba0.5CoO3+δ as the cathode, indicating that the Pr0.5Ba0.5Co1−XNiXO3+δ cathode material had high catalytic activity during the electrochemical reaction. The results of electron paramagnetic resonance revealed that the concentration of oxygen vacancies increased as the Ni doping amount increased to 0.15. As a result of the increase in the Ni doping amount, the thermal expansion coefficient of the Pr0.5Ba0.5CoO3+δ cathode material was effectively reduced, resulting in improved matching between the cathode and electrolyte material. The power density of the single cell increased by 69 mW·cm−2. Therefore, Pr0.5Ba0.5Co1−XNiXO3+δ is a promising candidate cathode material for high-performance SOFCs. Full article
(This article belongs to the Collection Green Energy and Environmental Materials)
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13 pages, 2376 KiB  
Article
Wave-like Behavior in the Source–Detector Resonance
by Ioannis Contopoulos
Particles 2025, 8(1), 24; https://doi.org/10.3390/particles8010024 - 3 Mar 2025
Viewed by 617
Abstract
We consider a particular model of a Source of independent particles and a macroscopic Detector that are both tuned to the same resonance frequency ν01/P. Particles are emitted by the Source at exact multiples of the resonance [...] Read more.
We consider a particular model of a Source of independent particles and a macroscopic Detector that are both tuned to the same resonance frequency ν01/P. Particles are emitted by the Source at exact multiples of the resonance period P, and the Detector absorbs them with a certain probability at any one of its points. The Detector may also announce the detection of the absorbed particle. Any particle that is not absorbed at a certain point passes through to a deeper layer in the interior of the Detector. Eventually, all particles will be absorbed, i.e., detected. We calculate the probability of detection for two particle time series generated by the same Source reaching the Detector with a time delay of δt and show that it manifests the illusion of collective (wave-like) interference with particle number conservation. We conclude that wave phenomena may reflect the nature of detectors rather than fundamental laws of physics. Full article
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18 pages, 10824 KiB  
Article
Pattern-Reconfigurable, Vertically Polarized, Wideband Electrically Small Huygens Source Antenna
by Yunlu Duan, Ming-Chun Tang, Mei Li, Zhehao Zhang, Qingli Lin and Richard W. Ziolkowski
Electronics 2025, 14(3), 634; https://doi.org/10.3390/electronics14030634 - 6 Feb 2025
Viewed by 893
Abstract
A pattern-reconfigurable, vertically polarized (VP), electrically small (ES), Huygens source antenna (HSA) is demonstrated. A custom-designed reconfigurable inverted-F structure is embedded in a hollowed-out cylindrical dielectric resonator (DR). It radiates VP electric dipole fields that excite the DR’s HEM11δ mode, which in [...] Read more.
A pattern-reconfigurable, vertically polarized (VP), electrically small (ES), Huygens source antenna (HSA) is demonstrated. A custom-designed reconfigurable inverted-F structure is embedded in a hollowed-out cylindrical dielectric resonator (DR). It radiates VP electric dipole fields that excite the DR’s HEM11δ mode, which in turn acts as an orthogonal magnetic dipole radiator. The HSA’s unidirectional properties are thus formed. It becomes low-profile and electrically small through a significant lowering of its operational frequency band by loading the DR’s top surface with a metallic disk. The entire 360° azimuth range is covered by each of the HSA’s four 90° reconfigurable states, emitting a unidirectional wide beam. A prototype was fabricated and tested. The measured results, which are in good agreement with their simulated values, demonstrate that the developed wideband Huygens source antenna, with its 0.085 λL low profile and its 0.20 λL × 0.20 λL compact transverse dimensions, hence, electrically small size with ka = 0.89, exhibits a wide 14.1% fractional impedance bandwidth and a 6.1 dBi peak realized gain in all four of its pattern-reconfigurable states. Full article
(This article belongs to the Special Issue Antennas for IoT Devices)
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24 pages, 7367 KiB  
Article
The 31P Spectral Modulus (PSM) as an Assay of Metabolic Status
by Jack V. Greiner, Tamara I. Snogren and Thomas Glonek
Biology 2025, 14(2), 152; https://doi.org/10.3390/biology14020152 - 2 Feb 2025
Cited by 1 | Viewed by 1047
Abstract
The phosphorus-31 (31P) spectral modulus (PSM) is a measure of the metabolic status of cells, tissues, and organs. The PSM can be calculated from 31P nuclear magnetic resonance (31P NMR) spectra obtained from cell, tissue, or organ preparations. [...] Read more.
The phosphorus-31 (31P) spectral modulus (PSM) is a measure of the metabolic status of cells, tissues, and organs. The PSM can be calculated from 31P nuclear magnetic resonance (31P NMR) spectra obtained from cell, tissue, or organ preparations. These 31P NMR spectra can be a measure of intact living cells, tissues, or organs, or appropriate biochemical extracts of such preparations. The 31P NMR spectrum is comprised of signals derived from organophosphate metabolites that resonate from 10 δ to −25 δ on the phosphorus chemical shift δ scale. The PSM is the ratio of the high-energy phosphate to that of the low-energy phosphate spectral integrals. These integrals may be conveniently grouped into high-energy and low-energy spectral regions, respectively, into 31P chemical shifts located between −0.13 δ to −25 δ and between 10 δ to −0.13 δ. High-energy phosphates are typically described as providing the energy necessary for the activity of cellular metabolism; chemically, they contain one or more phosphate anhydride bonds. This study demonstrates that, (1) in general, the higher the metabolic activity, the higher the PSM, and (2) the modulus calculation does not require a highly resolved 31P spectrum and can be calculated solely from the integral. The PSM was calculated among cells, tissues, and organs considered normal, diseased, and stressed. In diseased (mean 1.29 ± 0.73) and stressed (mean 1.23 ± 0.75) cells, tissues, and organs, PSM values are typically low or low relative to normal cells, tissues, or organs (mean 1.65 ± 0.90), following time-course measurements, in dynamic decline. The PSM is useful in determining the metabolic status of cells, tissues, or organs and can be employed as a calculable numeric assay for determining health status statically or over time. Calculation of the PSM can be carried out with spectra of low signal-to-noise; it relies on the minimal resolution required to detect an integral curve having a clear spectral integral inflection point at ca. −0.13 δ. Detection of an integral curve alone enables the calculation of a PSM even at levels of phosphorus concentration so low as to prevent detection of the individual or groups of metabolites, such as with in vivo or ex vivo cell, tissue, or organ determinations. This study (1) presents the foundations and fundamentals of the PSM, a living index of tissue metabolic health, and (2) demonstrates the use of spectral scan analysis in opening new vistas of biology and medicine for measuring the metabolic status of stressed and diseased tissues at a range of detectable levels for monitoring therapeutic interventions. Full article
(This article belongs to the Section Biochemistry and Molecular Biology)
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12 pages, 3610 KiB  
Communication
Synthesis and Characterization of Hydrazine Bridge Cyclotriphosphazene Derivatives with Amide–Schiff Base Linkages Attached to Decyl and Hydroxy Terminal Groups
by Fatin Junaidah Mohamad Fazli and Zuhair Jamain
Molbank 2024, 2024(4), M1934; https://doi.org/10.3390/M1934 - 7 Dec 2024
Cited by 1 | Viewed by 1596
Abstract
New cyclotriphosphazene derivatives featuring amide–Schiff base linkages with a hydrazine bridge and different terminal ends, such as decyl alkyl chains and hydroxy groups, were successfully synthesized and characterized. Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR), and CHN elemental analysis were used [...] Read more.
New cyclotriphosphazene derivatives featuring amide–Schiff base linkages with a hydrazine bridge and different terminal ends, such as decyl alkyl chains and hydroxy groups, were successfully synthesized and characterized. Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR), and CHN elemental analysis were used to characterize the structures of these compounds. The formation of hydrazine-bridged cyclotriphosphazene derivatives with amide–Schiff base linkages was confirmed by the FTIR spectra, showing a primary amine band for the amide linkage around ~3300 cm−1 and a band for the Schiff base linkage near ~1595 cm−1. This was further supported by NMR analysis, which displayed an amide proton (H-N-C=O) at ~δ 10.00 ppm and an azomethine proton (H-C=N) within the δ 8.40–8.70 ppm range. The 31P NMR spectra of cyclotriphosphazene compounds display a singlet at ~δ 8.20 ppm, indicating an upfield shift that suggests the complete substitution of all phosphorus atoms with identical side chains. Furthermore, CHN analysis verified the purity of the synthesized compounds, with a percentage error below 2%. The introduction of hydrazine bridges and amide–Schiff base linkages into the cyclotriphosphazene core significantly enriches the molecular structure with diverse functional groups. These modifications not only improve the compound’s stability and reactivity, but also expand its potential for a wide range of applications. Full article
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55 pages, 12432 KiB  
Article
Mitigating Algorithmic Bias in AI-Driven Cardiovascular Imaging for Fairer Diagnostics
by Md Abu Sufian, Lujain Alsadder, Wahiba Hamzi, Sadia Zaman, A. S. M. Sharifuzzaman Sagar and Boumediene Hamzi
Diagnostics 2024, 14(23), 2675; https://doi.org/10.3390/diagnostics14232675 - 27 Nov 2024
Cited by 3 | Viewed by 2085
Abstract
Background/Objectives: The research addresses algorithmic bias in deep learning models for cardiovascular risk prediction, focusing on fairness across demographic and socioeconomic groups to mitigate health disparities. It integrates fairness-aware algorithms, susceptible carrier-infected-recovered (SCIR) models, and interpretability frameworks to combine fairness with actionable [...] Read more.
Background/Objectives: The research addresses algorithmic bias in deep learning models for cardiovascular risk prediction, focusing on fairness across demographic and socioeconomic groups to mitigate health disparities. It integrates fairness-aware algorithms, susceptible carrier-infected-recovered (SCIR) models, and interpretability frameworks to combine fairness with actionable AI insights supported by robust segmentation and classification metrics. Methods: The research utilised quantitative 3D/4D heart magnetic resonance imaging and tabular datasets from the Cardiac Atlas Project’s (CAP) open challenges to explore AI-driven methodologies for mitigating algorithmic bias in cardiac imaging. The SCIR model, known for its robustness, was adapted with the Capuchin algorithm, adversarial debiasing, Fairlearn, and post-processing with equalised odds. The robustness of the SCIR model was further demonstrated in the fairness evaluation metrics, which included demographic parity, equal opportunity difference (0.037), equalised odds difference (0.026), disparate impact (1.081), and Theil Index (0.249). For interpretability, YOLOv5, Mask R-CNN, and ResNet18 were implemented with LIME and SHAP. Bias mitigation improved disparate impact (0.80 to 0.95), reduced equal opportunity difference (0.20 to 0.05), and decreased false favourable rates for males (0.0059 to 0.0033) and females (0.0096 to 0.0064) through balanced probability adjustment. Results: The SCIR model outperformed the SIR model (recovery rate: 1.38 vs 0.83) with a 10% transmission bias impact. Parameters (β=0.5, δ=0.2, γ=0.15) reduced susceptible counts to 2.53×1012 and increased recovered counts to 9.98 by t=50. YOLOv5 achieved high Intersection over Union (IoU) scores (94.8%, 93.7%, 80.6% for normal, severe, and abnormal cases). Mask R-CNN showed 82.5% peak confidence, while ResNet demonstrated a 10.4% accuracy drop under noise. Performance metrics (IoU: 0.910.96, Dice: 0.9410.980, Kappa: 0.95) highlighted strong predictive accuracy and reliability. Conclusions: The findings validate the effectiveness of fairness-aware algorithms in addressing cardiovascular predictive model biases. The integration of fairness and explainable AI not only promotes equitable diagnostic precision but also significantly reduces diagnostic disparities across vulnerable populations. This reduction in disparities is a key outcome of the research, enhancing clinical trust in AI-driven systems. The promising results of this study pave the way for future work that will explore scalability in real-world clinical settings and address limitations such as computational complexity in large-scale data processing. Full article
(This article belongs to the Special Issue Artificial Intelligence in Cardiology Diagnosis )
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11 pages, 1546 KiB  
Article
Investigation of the Binary Nitrides YN, LaN and LuN by Solid-State NMR Spectroscopy
by Jennifer Steinadler, Georg Krach, Wolfgang Schnick and Thomas Bräuniger
Molecules 2024, 29(23), 5572; https://doi.org/10.3390/molecules29235572 - 25 Nov 2024
Cited by 1 | Viewed by 913
Abstract
Based on their various and outstanding properties, binary nitrides are used as (synthesis) materials in industry and research. Hence, their comprehensive characterization by analytical methods is of particular interest. Since Nuclear Magnetic Resonance (NMR) spectroscopy is very sensitive to the symmetry of the [...] Read more.
Based on their various and outstanding properties, binary nitrides are used as (synthesis) materials in industry and research. Hence, their comprehensive characterization by analytical methods is of particular interest. Since Nuclear Magnetic Resonance (NMR) spectroscopy is very sensitive to the symmetry of the electronic density distribution, it is a suitable tool for the investigation of rock-salt structure types and, especially, for those with known stoichiometry issues. Here, we report on magic-angle spinning NMR spectra of the nuclides 89Y (I=12), 139La (I=72) and 14N (I=1) in polycrystalline samples of YN, LaN and LuN. Due to the high symmetry of their crystal structures, the spectra of all nuclides do not exhibit anisotropic effects of significant magnitude. The resulting isotropic chemical shift values are δiso(89Y) = 516 ppm for YN, δiso(139La) =1294 ppm for LaN, and δiso(14N) = 457 ppm (YN), 788 ppm (LaN) and 384 ppm (LuN). The newly determined δiso(14N) values for these three binary nitrides fit well into the previously reported linear correlation between nitrogen distance to the nearest cation and isotropic chemical shift, leading to a better correlation coefficient and reduced error margins for the fit parameters. Full article
(This article belongs to the Section Inorganic Chemistry)
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