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Keywords = first-order perturbation theory

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13 pages, 6092 KB  
Article
Effects of Substituted Tryptamines on the Excitonic Structure of the Tubulin Tryptophan Network
by Matthew T. Colbourne, Lea Gassab and Travis J. A. Craddock
Photonics 2026, 13(7), 636; https://doi.org/10.3390/photonics13070636 - 30 Jun 2026
Viewed by 198
Abstract
Microtubules contain ordered aromatic amino acid networks whose optical excitations have been proposed to support non-trivial energy-transfer dynamics. Here, we examined whether bound tryptamine ligands can perturb the excitonic structure of the tubulin tryptophan network. A virtual screen of 294 tryptamines was performed [...] Read more.
Microtubules contain ordered aromatic amino acid networks whose optical excitations have been proposed to support non-trivial energy-transfer dynamics. Here, we examined whether bound tryptamine ligands can perturb the excitonic structure of the tubulin tryptophan network. A virtual screen of 294 tryptamines was performed across seven known binding regions of the tubulin heterodimer using AutoDock Vina 1.2.6. From this screen, top-ranked tryptamine ligands were carried forward for excited-state analysis. Geometry optimization and time-dependent density functional theory (TD-DFT) calculations were used to obtain vertical excitation energies and transition dipole moments for the ligand-bound states in the ultraviolet range. These ligand properties were then incorporated into a tight-binding Hamiltonian describing the tubulin tryptophan excitation network in order to evaluate changes in exciton energies and eigenvector delocalization. The calculations indicate that tryptamine binding can modify the excitonic landscape of tubulin in a ligand-dependent manner, with the magnitude of the perturbation governed by excitation wavelength, transition dipole strength, and spatial orientation relative to the intrinsic tryptophan network. These results show that substituted tryptamines differ in how they perturb the modeled tubulin tryptophan excitonic manifold, but they do not by themselves establish experimentally resolvable modulation of tubulin or microtubule photophysics. The present work should therefore be interpreted as a first-pass computational screening framework for prioritizing ligands and defining future experimental tests. Full article
(This article belongs to the Section Biophotonics and Biomedical Optics)
26 pages, 557 KB  
Article
Perturbed Hybrid Pantograph Systems with Deformable Derivatives: Well-Posedness, Stability, Numerical Sensitivity, and a Delay-Feedback Toy Example
by Rafik Zeraoulia, Souad Ayadi, Amina Boucenna, Meltem Erden Ege, Ozgur Ege and Mohammed Rabih
Fractal Fract. 2026, 10(5), 328; https://doi.org/10.3390/fractalfract10050328 - 11 May 2026
Viewed by 967
Abstract
We study a perturbed coupled system of generalized hybrid pantograph equations involving the deformable derivative of Zulfeqarr–Ujlayan–Ahuja. A central point of the revision is made explicit: for classically differentiable functions this derivative is local and satisfies [...] Read more.
We study a perturbed coupled system of generalized hybrid pantograph equations involving the deformable derivative of Zulfeqarr–Ujlayan–Ahuja. A central point of the revision is made explicit: for classically differentiable functions this derivative is local and satisfies Dτu=(1τ)u+τu. Therefore, in the present differentiable setting the memory or aftereffect is produced by the proportional pantograph delays, while the deformable order τ supplies an order-dependent local relaxation/drift term. After rewriting the system as an equivalent integral equation on X=C(I,R2), we establish invariant-ball conditions, existence and uniqueness within invariant balls, generalized Ulam–Hyers stability, and Lipschitz continuous dependence on the perturbation amplitude ε. The assumptions and constants are stated so that the restrictive roles of the Lipschitz bounds, the interval length, and |ε| are transparent. We then provide numerical parameter sensitivity diagrams for illustrative pantograph systems and include step-size refinement checks and performance indices. The numerical and plasma-inspired sections are deliberately framed as exploratory delay-feedback examples rather than as first-principles plasma models or rigorous bifurcation theory. Full article
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21 pages, 8800 KB  
Article
Generalized High-Order LADRC Tracking Control for VICTS Hollow Annular Direct-Drive Motor Considering Non-Stationary Disturbances
by Xinlu Yu, Jiacheng Lu, Ping Gao, Pingfa Feng and Lin Jia
Actuators 2026, 15(5), 254; https://doi.org/10.3390/act15050254 - 1 May 2026
Viewed by 426
Abstract
This paper proposes a generalized high-order linear active disturbance rejection control (GHO-LADRC) method to suppress non-stationary disturbances in VICTS antenna direct-drive motors during high-dynamic scanning. First, a fourth-order generalized extended state observer is constructed, in which the derivative of the total disturbance is [...] Read more.
This paper proposes a generalized high-order linear active disturbance rejection control (GHO-LADRC) method to suppress non-stationary disturbances in VICTS antenna direct-drive motors during high-dynamic scanning. First, a fourth-order generalized extended state observer is constructed, in which the derivative of the total disturbance is explicitly modeled as an extended state. This configuration enables real-time observation of the disturbance rate of change and suppresses the phase lag inherent in traditional ADRC during rapid disturbance variations through disturbance feedforward compensation. Secondly, drawing on singular perturbation theory and the motor’s dual-time-scale characteristics, this work precisely decouples and explicitly extracts the nonlinear friction and electromagnetic damping terms during the modeling stage. By integrating the extracted electromagnetic damping terms and the disturbance variation rate, an improved model-assisted control law is formulated, enabling active compensation for intense dynamic interference. Theoretical analysis and experimental results demonstrate that the proposed method significantly enhances disturbance rejection capability and satellite communication accuracy. As the first application of GHO-LADRC in the field of direct-drive VICTS antenna control, this work validates its effectiveness in improving system robustness within complex dynamic environments. Full article
(This article belongs to the Section Aerospace Actuators)
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15 pages, 3660 KB  
Article
Relative Entropy Computations for Nonlinear Deformations of the Porous Steel Structures
by Michał Strąkowski and Marcin Kamiński
Materials 2026, 19(9), 1783; https://doi.org/10.3390/ma19091783 - 28 Apr 2026
Viewed by 302
Abstract
In this paper, we investigate the application of the relative entropy framework for safety assessments of steel elements with structural defects at the micro- and macro-scales. Mathematical theories developed by Bhattacharyya and by Kullback and Leibler (K-L) have been used for this purpose. [...] Read more.
In this paper, we investigate the application of the relative entropy framework for safety assessments of steel elements with structural defects at the micro- and macro-scales. Mathematical theories developed by Bhattacharyya and by Kullback and Leibler (K-L) have been used for this purpose. This approach uses both expectations and variations, similar to the First-Order Reliability Method (FORM), but is extended to include 3rd- and 4th-order central probabilistic moments. It is necessary to use a hybrid computational technique that combines the Finite Element Method (FEM) software ABAQUS CAE 2017 with the implemented Gurson–Tvergaard–Needleman (GTN) damage model and the computer algebra system MAPLE. The iterative generalized stochastic perturbation technique has been used to determine the probabilistic moments of structural response, to utilize the Weighted Least Squares Method to approximate the structural response function, and to determine uncertainty in the stress, strain, and displacement state functions. This approach is based on relative entropy because of its universality. There is no need to assume a type of distribution of the state functions, in contrast to FORM, where a Gaussian distribution is required. This paper verifies whether relative entropy can serve as an alternative to FORM for determining reliability. The yield surface of the porous material with a random values of the void volume fraction f are also presented. Full article
(This article belongs to the Section Metals and Alloys)
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25 pages, 332 KB  
Article
From Proportional Stationarity to Curvature–Strain Balance: A Variational Bridge for Equilibrium Ratios
by Robert Castro
Quantum Rep. 2026, 8(2), 38; https://doi.org/10.3390/quantum8020038 - 22 Apr 2026
Viewed by 1096
Abstract
Variational models describe deformation and stability through the first and second variations in an underlying functional, but the relationship between these responses is seldom expressed as an intrinsic equilibrium quantity of the model itself. A canonical curvature–strain representation for equilibrium ratios arising in [...] Read more.
Variational models describe deformation and stability through the first and second variations in an underlying functional, but the relationship between these responses is seldom expressed as an intrinsic equilibrium quantity of the model itself. A canonical curvature–strain representation for equilibrium ratios arising in variational field settings is developed. For a twice Fréchet differentiable functional and an admissible perturbation generator, strain is defined as normalized first-order response and curvature as normalized second-order response along the generator direction. Their quotient defines a curvature–strain ratio that measures proportional balance between deformation and curvature within the model. The main result shows that this curvature–strain ratio is a canonical representative of a response ratio already implicit in the variational data. Under canonical normalization, the curvature–strain ratio coincides with the quotient of second- and first-order response, and stationarity of the curvature–strain ratio is equivalent to proportional stationarity of that response quotient along the admissible flow. A further theorem establishes transfer of local isolation: when the second-variation operator satisfies standard hypotheses such as compact resolvent and non-degeneracy of the constrained extremum, isolated equilibrium ratios persist in the curvature–strain representation for the same operator-theoretic reasons. Quadratic scalar and Maxwell-type models illustrate the construction. The paper establishes a mathematically controlled curvature–strain representation of equilibrium ratios within ordinary variational theory, with emphasis on the analysis of variational response and equilibrium balance. Full article
19 pages, 13392 KB  
Article
High-Order Interactions Reshape the Carbon Emission Efficiency Network Across Chinese Regions
by Ruijin Du, Xiao Ge, Ziyang Kong, Qingze Shi, Muhammad Ahsan and Lixin Tian
Entropy 2026, 28(4), 431; https://doi.org/10.3390/e28040431 - 12 Apr 2026
Viewed by 591
Abstract
To address the challenge of balancing economic growth with carbon emission reduction, improving regional Carbon Emission Efficiency (CEE) has emerged as a central pathway to achieving the “dual carbon” goals. While most existing studies focus on inter-regional CEE linkages through pairwise interaction networks, [...] Read more.
To address the challenge of balancing economic growth with carbon emission reduction, improving regional Carbon Emission Efficiency (CEE) has emerged as a central pathway to achieving the “dual carbon” goals. While most existing studies focus on inter-regional CEE linkages through pairwise interaction networks, such approaches fall short in capturing the high-order mechanisms of multi-regional collaboration. This study integrates the Super-SBM model with a modified gravity model to construct a CEE correlation network across 30 provincial administrative regions in China from 2007 to 2023. To overcome the limitations of traditional pairwise networks, simplicial complex theory is introduced to establish a high-order topological representation framework. Furthermore, by applying the multiorder Laplacian to assess the synchronization stability of the network, a directed second-order degree swap strategy is proposed to optimize its high-order structure. The findings reveal that the CEE correlation network has evolved from a single-pole aggregation pattern toward a multi-center equilibrium. Provinces with high connectivity play a dominant role in both pairwise and triadic synergies, though their collaborative advantages are gradually diffusing to central and western regions. Notably, with only a limited number (approximately five) of second-order degree swaps among key node pairs, the network’s synchronization stability can be substantially improved. When first-order and second-order interaction strengths reach comparable levels (coupling strength α*0.5), the system achieves optimal resistance to external perturbations. This study highlights the pivotal role of high-order collaboration in shaping regional CEE linkages and offers a practical optimization pathway for structurally enhancing CEE through coordinated efforts in pursuit of the “dual carbon” goals. Full article
(This article belongs to the Special Issue Analysis of Critical Behavior in Complex Systems)
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23 pages, 14334 KB  
Review
Recent Developments in and Applications of the Relativistic Chiral Nuclear Force
by Li-Sheng Geng, Jun-Xu Lu, Qing-Yu Zhai, Zhi-Wei Liu and Shi-Hang Shen
Particles 2026, 9(2), 38; https://doi.org/10.3390/particles9020038 - 4 Apr 2026
Viewed by 795
Abstract
The nuclear force is central to our understanding of complex nuclear phenomena and to the applications of nuclear techniques. The non-perturbative nature of low-energy strong interaction and color confinement have provided an ab initio understanding of nuclear force, a challenge for almost a [...] Read more.
The nuclear force is central to our understanding of complex nuclear phenomena and to the applications of nuclear techniques. The non-perturbative nature of low-energy strong interaction and color confinement have provided an ab initio understanding of nuclear force, a challenge for almost a century, since the pioneering work of Yukawa. Since 1990, chiral effective field theory (ChEFT) has become the de facto standard for describing nuclear interactions; most prior studies employed heavy-baryon chiral perturbation theory. Only recently, there have been successful attempts to construct a chiral nuclear force employing covariant baryon chiral perturbation theory. In this work, we review recent developments and applications of relativistic chiral nuclear forces. We first elaborate on the necessity of relativistic/covariant theories, then present the construction of the first high-precision relativistic chiral nuclear force up to next-to-next-to-leading order (NNLO), and discuss the ongoing progress in higher-order nucleon–nucleon (NN) and n-d scattering, as well as their applications in nuclear matter, finite nuclei, and hypernuclear systems. Finally, we summarize the achievements and outline the future outlook of this research field. Full article
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26 pages, 572 KB  
Article
Physics-Constrained Optimization Framework for Detecting Stealthy Drift Perturbations
by Mordecai Opoku Ohemeng and Frederick T. Sheldon
Mathematics 2026, 14(7), 1113; https://doi.org/10.3390/math14071113 - 26 Mar 2026
Viewed by 693
Abstract
This work develops a zero-trust, physics-constrained mathematical framework for detecting stealthy drift perturbations in power system dynamical models. Such perturbations constitute adversarial, statistical deviations that preserve first-order operating trends, making them difficult to identify using classical residual-based estimators or unconstrained data-driven models. We [...] Read more.
This work develops a zero-trust, physics-constrained mathematical framework for detecting stealthy drift perturbations in power system dynamical models. Such perturbations constitute adversarial, statistical deviations that preserve first-order operating trends, making them difficult to identify using classical residual-based estimators or unconstrained data-driven models. We introduce ZETWIN, a spatio-temporal learning architecture formulated as a constrained optimization problem in which the nodal admittance matrix Ybus acts as a graph-structured linear operator embedded directly into the loss functional. This construction enforces Kirchhoff-consistent latent representations and yields a mathematically grounded zero-trust decision rule that flags any trajectory violating physical feasibility, independent of prior attack signatures. The proposed framework is evaluated using a PyPSA-based AC–DC meshed network, demonstrating an AUROC = 0.994, and F1 = 0.969. The formulation highlights how physics-informed constraints, graph operators, and spatio-temporal approximation theory can be combined to construct mathematically interpretable zero-trust detectors for complex dynamical systems. Full article
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11 pages, 264 KB  
Article
Additive Effects of Small Permanent Charges on Ionic Flow Using Poisson–Nernst–Planck Systems
by Jia Guo, Zhantao Li, Jie Song and Mingji Zhang
Axioms 2026, 15(2), 135; https://doi.org/10.3390/axioms15020135 - 13 Feb 2026
Viewed by 390
Abstract
We examine the effects from small, spatially localized permanent charges on ionic transport in narrow membrane channels. Our analysis is based on a one-dimensional steady-state Poisson–Nernst–Planck (PNP) model involving two oppositely charged ion species with constant diffusion coefficients under electroneutral boundary conditions. In [...] Read more.
We examine the effects from small, spatially localized permanent charges on ionic transport in narrow membrane channels. Our analysis is based on a one-dimensional steady-state Poisson–Nernst–Planck (PNP) model involving two oppositely charged ion species with constant diffusion coefficients under electroneutral boundary conditions. In the framework of geometric singular perturbation theory, the steady PNP system is reformulated as a fast–slow dynamical system amenable to boundary-layer analysis. In the limit of vanishing permanent charge, the solution exhibits a singular structure with sharp boundary-layer segments and smooth bulk segments across regions of piecewise constant charge. Assuming the permanent charge strength Q is small, we carry out a regular perturbation expansion about Q=0 and derive explicit first-order corrections to each ion’s flux. Closed-form expressions are obtained for both the leading-order (zero-charge) fluxes and the O(Q) flux corrections, revealing how even a small fixed charge can modulate the magnitude of individual ionic fluxes as a function of the applied transmembrane voltage and boundary concentration asymmetry. These results elucidate how permanent charge enhances or inhibits specific ionic flows, thereby influencing channel selectivity. Overall, our analysis provides clear asymptotic formulas and highlights the broader relevance of this perturbative approach to electro-diffusive transport modeling in biophysical systems. Full article
43 pages, 1173 KB  
Article
A New Hybrid Stochastic SIS Co-Infection Model with Two Primary Strains Under Markov Regime Switching and Lévy Jumps
by Yassine Sabbar and Saud Fahad Aldosary
Mathematics 2026, 14(3), 445; https://doi.org/10.3390/math14030445 - 27 Jan 2026
Viewed by 375
Abstract
We study a hybrid stochastic SIS co-infection model for two primary strains and a co-infected class with Crowley–Martin incidence, Markovian regime switching, and Lévy jumps. The model is a four-dimensional regime-switching Lévy-driven SDE system with state-dependent diffusion and jump coefficients. Under natural integrability [...] Read more.
We study a hybrid stochastic SIS co-infection model for two primary strains and a co-infected class with Crowley–Martin incidence, Markovian regime switching, and Lévy jumps. The model is a four-dimensional regime-switching Lévy-driven SDE system with state-dependent diffusion and jump coefficients. Under natural integrability conditions on the jumps and a mild structural assumption on removal rates, we prove uniform high-order moment bounds for the total population, establish pathwise sublinear growth, and derive strong laws of large numbers for all Brownian and Lévy martingales, reducing the long-time analysis to deterministic time averages. Using logarithmic Lyapunov functionals for the infective classes, we introduce four noise-corrected effective growth parameters λ1,,λ4 and two interaction matrices A,B that encode the combined impact of Crowley–Martin saturation, regime switching, and jump noise. In terms of explicit inequalities involving λk and the entries of A,B, we obtain sharp almost-sure criteria for extinction of all infectives, persistence with competitive exclusion, and coexistence in mean of both primary strains, together with the induced long-term behaviour of the co-infected class. Numerical simulations with regime switching and compensated Poisson jumps illustrate and support these thresholds. This provides, to our knowledge, the first rigorous extinction-exclusion-coexistence theory for a multi-strain SIS co-infection model under the joint influence of Crowley–Martin incidence, Markov switching, and Lévy perturbations. Full article
(This article belongs to the Special Issue Advances in Epidemiological and Biological Systems Modeling)
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19 pages, 3565 KB  
Article
Relative Entropy-Based Reliability Assessment of Hybrid Telecommunication Skeletal Towers
by Marcin Kamiński and Rafał Bredow
Entropy 2026, 28(2), 137; https://doi.org/10.3390/e28020137 - 25 Jan 2026
Cited by 1 | Viewed by 367
Abstract
The main aim of this paper is the uncertainty quantification and reliability assessment of the hybrid skeletal telecommunication tower subjected to dynamic wind pressure. The structural response of this aluminum–steel construction is contrasted with the original steel tower solution widely available in engineering [...] Read more.
The main aim of this paper is the uncertainty quantification and reliability assessment of the hybrid skeletal telecommunication tower subjected to dynamic wind pressure. The structural response of this aluminum–steel construction is contrasted with the original steel tower solution widely available in engineering practice in the numerical environment of the system ABAQUS 2024. Some design parameters of both towers are considered uncertain and distributed according to the Gaussian probability distribution so that the resulting reliability indices in the Ultimate Limit State (ULS), as well as the Serviceability Limit State (SLS), are determined. These indices are calculated using the First Order Reliability Method (FORM), and also from the probabilistic entropy scheme due to the Bhattacharyya theory. The first two probabilistic characteristics necessary for the reliability assessment result from the Stochastic Finite Element Method implemented according to the generalized iterative stochastic perturbation technique. All probabilistic calculus is programmed in the symbolic algebra of the system MAPLE 2015. As it is documented in this study, a choice of the hybrid tower enables for some mass savings under preservation of the same reliability level. Full article
(This article belongs to the Section Multidisciplinary Applications)
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52 pages, 716 KB  
Article
Quantum Anomalies as Intrinsic Algebraic Curvature: A Unified AQFT Interpretation of Renormalization Ambiguities
by Andrei T. Patrascu
Quantum Rep. 2026, 8(1), 3; https://doi.org/10.3390/quantum8010003 - 7 Jan 2026
Viewed by 968
Abstract
Quantum anomalies are traditionally understood as classical symmetries that fail to survive quantization, while experimental “anomalies” denote deviations between theoretical predictions and measured values. In this work, we develop a unified framework in which both phenomena can be interpreted through the lens of [...] Read more.
Quantum anomalies are traditionally understood as classical symmetries that fail to survive quantization, while experimental “anomalies” denote deviations between theoretical predictions and measured values. In this work, we develop a unified framework in which both phenomena can be interpreted through the lens of algebraic quantum field theory (AQFT). Building on the renormalization group viewed as an extension problem, we show that renormalization ambiguities correspond to nontrivial elements of Hochschild cohomology, giving rise to a deformation of the observable algebra AB=AB+εω(A,B), where ω is a Hochschild 2-cocycle. We interpret ω as an intrinsic algebraic curvature of the net of local algebras, namely the (local) Hochschild class that measures the obstruction to trivializing infinitesimal scheme changes by inner redefinitions under locality and covariance constraints. The transported product is associative; its first-order expansion is associative up to O(ε2) while preserving the ∗-structure and Ward identities to the first order. We prove the existence of nontrivial cocycles in the perturbative AQFT setting, derive the conditions under which the deformed product respects positivity and locality, and establish the compatibility with current conservation. The construction provides a direct algebraic bridge to standard cohomological anomalies (chiral, trace, and gravitational) and yields correlated deformations of physical amplitudes. Fixing the small deformation parameter ε from the muon (g2) discrepancy, we propagate the framework to predictions for the electron (g2), charged lepton EDMs, and other low-energy observables. This approach reduces reliance on ad hoc form-factor parametrizations by organizing first-order scheme-induced deformations into correlation laws among low-energy observables. We argue that interpreting quantum anomalies as manifestations of algebraic curvature opens a pathway to a unified, testable account of renormalization ambiguities and their phenomenological consequences. We emphasize that the framework does not eliminate renormalization or quantum anomalies; rather, it repackages the finite renormalization freedom of pAQFT into cohomological data and relates it functorially to standard anomaly classes. Full article
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26 pages, 9287 KB  
Article
Tooth Surface Contact Characteristics of Non-Circular Gear Based on Ease-off Modification
by Shukai Liu and Yanzhong Wang
Appl. Sci. 2025, 15(23), 12707; https://doi.org/10.3390/app152312707 - 1 Dec 2025
Viewed by 618
Abstract
To address edge contact in non-circular gears arising from installation errors, a modification strategy represented by elliptical gears and driven by an ease-off topological surface is proposed. A tooth surface model for non-circular gears was first derived from meshing theory. The modification magnitude [...] Read more.
To address edge contact in non-circular gears arising from installation errors, a modification strategy represented by elliptical gears and driven by an ease-off topological surface is proposed. A tooth surface model for non-circular gears was first derived from meshing theory. The modification magnitude was defined using a second-order ease-off differential surface, and the modified surface is represented through non-uniform rational B-spline (NURBS) fitting. A tooth contact analysis (TCA) model is then built to evaluate how installation errors and modification amount influence contact behavior. The results indicate that an increase in center distance error reduces the contact ratio. For equal perturbations of axial horizontal and axial vertical mounting angles, the horizontal error has the stronger impact on the size and location of the contact patch. As the longitudinal modification coefficient grows, the contact path and peak pressure position shift from the tooth edge toward the mid-width; the contact ellipse first enlarges and then shrinks, while the contact pressure shows the opposite trend. The elastic deformation of the tooth surface increases with the mounting angle. Transmission tests confirm that the proposed modification lowers the transmission error relative to the unmodified gear pair. Full article
(This article belongs to the Special Issue Structural Mechanics in Materials and Construction—2nd Edition)
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17 pages, 2559 KB  
Article
Multilayer Plasmonic Nanodisk Arrays for Enhanced Optical Hydrogen Sensing
by Junyi Jiang, Mingyu Cheng, Xinyi Chen and Bin Ai
Technologies 2025, 13(10), 466; https://doi.org/10.3390/technologies13100466 - 14 Oct 2025
Viewed by 952
Abstract
Plasmonic metasurfaces that convert hydrogen-induced dielectric changes into optical signals hold promise for next-generation hydrogen sensors. Here, we employ simulations and theoretical analysis to systematically assess single-layer, bilayer, and trilayer nanodisk arrays comprising magnesium, palladium, and noble metals. Although monolithic Mg nanodisks show [...] Read more.
Plasmonic metasurfaces that convert hydrogen-induced dielectric changes into optical signals hold promise for next-generation hydrogen sensors. Here, we employ simulations and theoretical analysis to systematically assess single-layer, bilayer, and trilayer nanodisk arrays comprising magnesium, palladium, and noble metals. Although monolithic Mg nanodisks show strong optical contrast after hydrogenation, the corresponding surface plasmon resonance disappears completely, preventing quantitative spectral tracking. In contrast, bilayer heterostructures, particularly those combining Mg and Au, achieve a resonance red-shift of Δλ = 62 nm, a narrowed full width at half maximum (FWHM) of 207 nm, and a figure of merit (FoM) of 0.30. Notably, the FoM is boosted by up to 15-fold when tuning both material choice and stacking sequence (from Mg-Ag to Au-Mg), underscoring the critical role of interface engineering. Trilayer “sandwich” architectures further amplify performance, achieving a max 10-fold and 13-fold enhancement in Δλ and FoM, respectively, relative to its bilayer counterpart. Particularly, the trilayer Mg-Au-Mg reaches Δλ = 120 nm and FoM = 0.41, outperforming most previous plasmonic hydrogen sensors. These enhancements arise from maximized electric-field overlap with dynamically changing dielectric regions at noble-metal–hydride interfaces, as confirmed by first-order perturbation theory. These results indicate that multilayer designs combining Mg and noble metals can simultaneously maximize hydrogen-induced spectral shifts and signal quality, providing a practical pathway toward high-performance all-optical hydrogen sensors. Full article
(This article belongs to the Special Issue New Technologies for Sensors)
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11 pages, 1765 KB  
Article
Viscosity Analysis of Electron-Beam Degraded Gellan in Dilute Aqueous Solution
by Fathi Elashhab, Lobna Sheha, Nada Elzawi and Abdelsallam E. A. Youssef
Physchem 2025, 5(4), 40; https://doi.org/10.3390/physchem5040040 - 30 Sep 2025
Viewed by 1068
Abstract
Gellan gum (Gellan), a versatile polysaccharide applied in gel formation and prebiotic formulations, is often processed to tailor its molecular properties. Previous studies employed gamma irradiation and chemical hydrolysis, though without addressing systematic scaling behavior. This study investigates the structural and conformational modifications [...] Read more.
Gellan gum (Gellan), a versatile polysaccharide applied in gel formation and prebiotic formulations, is often processed to tailor its molecular properties. Previous studies employed gamma irradiation and chemical hydrolysis, though without addressing systematic scaling behavior. This study investigates the structural and conformational modifications of Gellan in dilute aqueous salt solutions using a safer and eco-friendly approach: atmospheric low-dose electron beam (e-beam) degradation coupled with viscosity analysis. Native and E-beam-treated Gellan samples (0.05 g/cm3 in 0.1 M KCl) were examined by relative viscosity at varying temperatures, with intrinsic viscosity and molar mass determined via Solomon–Ciuta and Mark–Houwink relations. Molar mass degradation followed first-order kinetics, yielding rate constants and degradation lifetimes. Structural parameters, including radius of gyration and second virial coefficient, produced scaling coefficients of 0.62 and 0.15, consistent with perturbed coil conformations in a good solvent. The shape factor confirmed preservation of an ideal random coil structure despite irradiation. Conformational flexibility was further analyzed using theoretical models. Transition state theory (TST) revealed that e-beam radiation lowered molar mass and activation energy but raised activation entropy, implying reduced flexibility alongside enhanced solvent interactions. The freely rotating chain (FRC) model estimated end-to-end distance (Rθ) and characteristic ratio (C), while the worm-like chain (WLC) model quantified persistence length (lp). Results indicated decreased Rθ, increased lp, and largely unchanged C, suggesting diminished chain flexibility without significant deviation from ideal coil behavior. Overall, this work provides new insights into Gellan’s scaling laws and flexibility under aerobic low-dose E-beam irradiation, with relevance for bioactive polysaccharide applications. Full article
(This article belongs to the Section Theoretical and Computational Chemistry)
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