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Search for "modeling" in Full Text gives 330 result(s) in Beilstein Journal of Nanotechnology. Showing first 200.

Multilayered hyperbolic Au/TiO2 nanostructures for enhancing the nonlinear response around the epsilon-near-zero point

  • Fernando Arturo Araiza-Sixtos,
  • Mauricio Gomez-Robles,
  • Rafael Salas-Montiel and
  • Raúl Rangel-Rojo

Beilstein J. Nanotechnol. 2026, 17, 251–261, doi:10.3762/bjnano.17.17

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  • only interested in the visible region because it is the region in which we are able to study the nonlinear response. Data analysis and multilayer modeling were performed using CompleteEASE software by J.A. Woollam. The optical constants were fitted using a B-splines layer with a Au thin film with KK
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Published 05 Feb 2026

Comparative study on 3D morphologies of delignified, single tracheids and fibers of five wood species

  • Helen Gorges,
  • Felicitas von Usslar,
  • Cordt Zollfrank,
  • Silja Flenner,
  • Imke Greving,
  • Martin Müller,
  • Clemens F. Schaber,
  • Chuchu Li and
  • Stanislav N. Gorb

Beilstein J. Nanotechnol. 2026, 17, 239–250, doi:10.3762/bjnano.17.16

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  • delignification. The 3D models provide a valuable resource for (1) understanding interspecies differences of fibers and tracheids, (2) optimizing the use of delignified wood in industrial applications (including bio-based and bio-inspired materials), and (3) physical modeling of wood regarding questions of wood
  • fibers and tracheids, paving the way for more effective modeling applications, such as finite element modeling or computational simulations of fluid flow or heat transfer, aiding in development of various industrial applications of delignified wood. Accurate 3D models provide valuable insights into
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Published 04 Feb 2026

Micro- and nanoscale effects in biological and bioinspired materials and surfaces

  • Thies H. Büscher,
  • Rhainer Guillermo Ferreira,
  • Manuela Rebora and
  • Stanislav N. Gorb

Beilstein J. Nanotechnol. 2026, 17, 214–217, doi:10.3762/bjnano.17.14

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  • ” consists of 15 articles representing all facets of research on biological and bioinspired surfaces, ranging from experimental and microscopy studies on biological objects, translational approaches with characterization of artificial replicas, bioinspired prototypes to theoretical studies including modeling
  • adhesion. They combined molecular dynamics for the simulation of the adhesive contact between the gecko spatula and the substrate with finite element modeling of the mechanical behavior of the adhesive seta to understand key aspects of gecko seta adhesion across scales. Besides these studies, focusing on
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Published 28 Jan 2026

Structure-dependent thermochromism of PAZO thin films: theory and experiment

  • Georgi Mateev,
  • Dean Dimov,
  • Nataliya Berberova-Buhova,
  • Nikoleta Kircheva,
  • Todor Dudev,
  • Ludmila Nikolova,
  • Elena Stoykova,
  • Keehoon Hong,
  • Dimana Nazarova,
  • Silvia Angelova and
  • Lian Nedelchev

Beilstein J. Nanotechnol. 2026, 17, 186–199, doi:10.3762/bjnano.17.12

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  • relationship between the structural organization of the polymer side chains and temperature-induced optical changes. By combining experimental spectroscopic techniques with theoretical modeling, we demonstrate that the thermochromic response of PAZO films is strongly influenced by molecular aggregation, film
  • be discussed in more details in the Section “Density functional theory modeling”. Analysis of spectrofluorimetric, infrared, and S and P polarization spectra Two PAZO samples were used for the spectrofluorimetric analysis: the first sample was not thermally treated (red curves in Figure 3A) and the
  • with enhanced efficiency or expanded surface coverage. Density functional theory modeling PAZO is a polymer with azobenzene units incorporated as pendant groups attached to the main polymer backbone (Figure 6A). The core of PAZO polymer side chains is the azobenzene fragment (Ar–N=N–Ar), which can
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Published 20 Jan 2026

Capabilities of the 3D-MLSI software tool in superconducting neuron design

  • Irina E. Tarasova,
  • Nikita S. Shuravin,
  • Liubov N. Karelina,
  • Fedor A. Razorenov,
  • Evgeny N. Zhardetsky,
  • Aleksandr S. Ionin,
  • Mikhail M. Khapaev and
  • Vitaly V. Bol’ginov

Beilstein J. Nanotechnol. 2026, 17, 122–138, doi:10.3762/bjnano.17.8

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  • the modeling and the experiment is also possible. This may be the case for red diamonds in Figure 4d since a noticeable deviation is observed for both filled and empty symbols. Fortunately, this type of coupling area design was not used in layouts of neurons studied below. Superconducting neurons Next
  • size in the vicinity of the boundary. This allows for more accurate modeling of regions of strong current density changes located just in the vicinity of strip line edges (see inset on Figure 8b). The choice of the upper grid scale value ah is defined mainly by the minimal strip line width according to
  • interferometer designs, this allows for the extraction of self- and mutual inductances to be achieved with an accuracy of 1–2%, as shown in Figure 9. When modeling large SQUIDs based on partial loops of neurons, the values ah = 2 μm and ahb = 0.25 μm were mostly used. One can see that a relative accuracy within
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Published 13 Jan 2026

Terahertz-range on-chip local oscillator based on Josephson junction arrays for superconducting quantum-limited receivers

  • Fedor V. Khan,
  • Lyudmila V. Filippenko,
  • Andrey B. Ermakov,
  • Mikhail Yu. Fominsky and
  • Valery P. Koshelets

Beilstein J. Nanotechnol. 2025, 16, 2296–2305, doi:10.3762/bjnano.16.158

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  • lines with different gap widths. The inset shows the profile of the CPW. Pump current and calculated S21 parameter for the scheme with a higher critical current density. The discrepancy between the experiment and modeling is likely to be caused by the absence of the matched load at the nonradiating end
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Published 22 Dec 2025

Electromagnetic study of a split-ring resonator metamaterial with cold-electron bolometers

  • Ekaterina A. Matrozova,
  • Alexander V. Chiginev,
  • Leonid S. Revin and
  • Andrey L. Pankratov

Beilstein J. Nanotechnol. 2025, 16, 2199–2206, doi:10.3762/bjnano.16.152

Graphical Abstract
  • in series. The total absorbed power is calculated as the sum of the powers absorbed in these discrete ports representing the CEBs. The power in our modeling is normalized to the power outgoing from the waveguide port, which is equal to 0.5 in arbitrary units. Results The design of the previously
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Published 05 Dec 2025

Missing links in nanomaterials research impacting productivity and perceptions

  • Santosh K. Tiwari and
  • Nannan Wang

Beilstein J. Nanotechnol. 2025, 16, 2168–2176, doi:10.3762/bjnano.16.149

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  • standardized toxicity assessment, environmental fate modeling, and lifecycle analysis to enable safe and scalable commercialization. (2) Strengthen industry engagement through public–private partnerships that integrate advanced nanomaterials such as graphene, MXenes, nanoporous catalysts, and quantum dots into
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Perspective
Published 03 Dec 2025

Microplastic pollution in Himalayan lakes: assessment, risks, and sustainable remediation strategies

  • Sameeksha Rawat,
  • S. M. Tauseef and
  • Madhuben Sharma

Beilstein J. Nanotechnol. 2025, 16, 2144–2167, doi:10.3762/bjnano.16.148

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  • key mechanism in remote lakes besides direct input [7]. Groundwater modeling methods have been instrumental in describing the transport and fate of contaminants, including MPs, in subsurface environments. Numerical methods such as MODFLOW coupled with transport methods such as MT3DMS and RT3D are
  • in Himalayan groundwater [30]. Our addition of groundwater vulnerability modeling and toxicity pathways to this contributes by incorporating MPs into groundwater threat frameworks, providing a new contribution in linking solid plastic pollution with hydrological threats in vulnerable highland
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Published 25 Nov 2025

Electron transport through nanoscale multilayer graphene and hexagonal boron nitride junctions

  • Aleksandar Staykov and
  • Takaya Fujisaki

Beilstein J. Nanotechnol. 2025, 16, 2132–2143, doi:10.3762/bjnano.16.147

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  • transmission probability. Thus, the defects increase the current through the nanoscale junctions. Modeling of graphite and h-BN. (a) Unit cell of graphite, (b) DOS of graphite, (c) band structure of graphite, (d) unit cell of h-BN, (e) DOS of h-BN, (f) band structure of h-BN, and (g) schematic of the Brillouin
  • zone. Modeling of graphite and h-BN with Stone–Wales defect. (a) Unit cell of defective graphite, (b) DOS of defective graphite, (c) band structure of defective graphite, (d) unit cell of defective h-BN, (e) DOS of defective h-BN, (f) band structure of defective h-BN, and (g) schematic of the Brillouin
  • zone. Modeling of N-doped graphite. (a) Unit cell of N-doped graphite, (b) band structure of N-doped graphite, (c) schematic of the Brillouin zone, and (d) DOS of N-doped graphite. Geometry of Pt/graphene/Pt junctions with (a) one layer, (b) two layers, (c) three layers, (d) four layers; (e) five
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Published 24 Nov 2025

Molecular and mechanical insights into gecko seta adhesion: multiscale simulations combining molecular dynamics and the finite element method

  • Yash Jain,
  • Saeed Norouzi,
  • Tobias Materzok,
  • Stanislav N. Gorb and
  • Florian Müller-Plathe

Beilstein J. Nanotechnol. 2025, 16, 2055–2076, doi:10.3762/bjnano.16.141

Graphical Abstract
  • limitations inherent in single-scale models. Keywords: finite element method; gecko adhesion; hybrid modeling; molecular dynamics; multiscale simulations; seta; spatula; Introduction Geckos possess the ability to adhere to a variety of substrates, a trait attributed to specialized micro- and nanoscale
  • modeled with a height H0 of 22.8 μm and an inclination angle αse of 30°. The multiscale seta was constructed by modeling a main shaft that branched four times into 16 tips, each connecting to a molecular spatula. The overall seta geometry was bound by the positive legs of the two parabolas (red lines
  • while avoiding unnecessary computational cost. We note that the substrate model is an idealized approximation chosen for consistency with our prior work [10][12] and computational efficiency. Modeling biologically realistic interfaces will require extending the present model to include stratification
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Published 14 Nov 2025

Mechanical property measurements enabled by short-term Fourier-transform of atomic force microscopy thermal deflection analysis

  • Thomas Mathias,
  • Roland Bennewitz and
  • Philip Egberts

Beilstein J. Nanotechnol. 2025, 16, 1952–1962, doi:10.3762/bjnano.16.136

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  • microscopy [3], tapping mode AFM [4], and contact resonance AFM (CR-AFM) [5], each providing unique advantages or insights into a surface and the materials that comprise it. Alongside the developments of the experimental technique, there have been a number of modeling techniques created that can be used to
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Published 06 Nov 2025

PEGylated lipids in lipid nanoparticle delivery dynamics and therapeutic innovation

  • Peiyang Gao

Beilstein J. Nanotechnol. 2025, 16, 1914–1930, doi:10.3762/bjnano.16.133

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  • molar ratio of 50:10:38.5:1.5, SANS analysis revealed a core–shell architecture with an average particle diameter of approximately 75 nm and a LNP shell thickness of 5 to 7 nm. Quantitative modeling of shell composition further demonstrated that the DMPE-PEG2k lipid accounted for 3.0 ± 0.5% of the shell
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Published 30 Oct 2025

On the road to sustainability – application of metallic nanoparticles obtained by green synthesis in dentistry: a scoping review

  • Lorena Pinheiro Vasconcelos Silva,
  • Joice Catiane Soares Martins,
  • Israel Luís Carvalho Diniz,
  • Júlio Abreu Miranda,
  • Danilo Rodrigues de Souza,
  • Éverton do Nascimento Alencar,
  • Moan Jéfter Fernandes Costa and
  • Pedro Henrique Sette-de-Souza

Beilstein J. Nanotechnol. 2025, 16, 1851–1862, doi:10.3762/bjnano.16.128

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  • absent in 16.2% (n = 14) of the works, while 9.5% (n = 8) did not replicate their experiments. Limitations also included restricted animal modeling (8.1%; n = 7) and absence of long-term effect assessments (8.1%; n = 7). Altogether, these findings indicate that while green-synthesized nanoparticles hold
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Published 22 Oct 2025

Beyond the bilayer: multilayered hygroscopic actuation in pine cone scales

  • Kim Ulrich,
  • Max David Mylo,
  • Tom Masselter,
  • Fabian Scheckenbach,
  • Sophia Fischerbauer,
  • Martin Nopens,
  • Silja Flenner,
  • Imke Greving,
  • Linnea Hesse and
  • Thomas Speck

Beilstein J. Nanotechnol. 2025, 16, 1695–1710, doi:10.3762/bjnano.16.119

Graphical Abstract
  • integrate high-resolution computed tomography-based geometries to further elucidate the mechanisms underlying hygroscopic actuation. This integrative approach will bridge experimental findings with computational modeling and advance plant biomechanics and biomimetic transfer. Keywords: digital volume
  • , together with previously published bilayer models, show that the analytical analysis of such a complex drying movement is a sensitive system of selected expansion coefficients, mechanical properties, and geometric models. It should be noted that the modeling of sorption/desorption of water via thermal
  • zones. This analysis highlighted the importance of the tissue material properties and raises some questions about previous Young’s modulus measurements. Furthermore, the achievable bending angle can be increased by avoiding a simple bilayer geometry and modeling the sclerenchyma layer as discrete fibers
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Published 29 Sep 2025

Ambient pressure XPS at MAX IV

  • Mattia Scardamaglia,
  • Ulrike Küst,
  • Alexander Klyushin,
  • Rosemary Jones,
  • Jan Knudsen,
  • Robert Temperton,
  • Andrey Shavorskiy and
  • Esko Kokkonen

Beilstein J. Nanotechnol. 2025, 16, 1677–1694, doi:10.3762/bjnano.16.118

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  • between fundamental surface studies and application-relevant complexity. Another promising frontier is the coupling of APXPS with advanced data acquisition and analysis, such as machine learning for spectral interpretation, real-time kinetic modeling, and high-throughput experimentation. These approaches
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Published 24 Sep 2025

Nanotechnology-based approaches for the removal of microplastics from wastewater: a comprehensive review

  • Nayanathara O Sanjeev,
  • Manjunath Singanodi Vallabha and
  • Rebekah Rubidha Lisha Rabi

Beilstein J. Nanotechnol. 2025, 16, 1607–1632, doi:10.3762/bjnano.16.114

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  • fine tuning process parameters for improved performance [139]. Recent advancements in computational modeling and AI have significantly contributed to the development of more efficient and targeted strategies for MP and NP removal. As illustrated in Figure 13, AI and ML models serve as powerful tools
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Published 15 Sep 2025

Bioinspired polypropylene-based functionally graded materials and metamaterials modeling the mistletoe–host interface

  • Lina M. Rojas González,
  • Naeim Ghavidelnia,
  • Christoph Eberl and
  • Max D. Mylo

Beilstein J. Nanotechnol. 2025, 16, 1592–1606, doi:10.3762/bjnano.16.113

Graphical Abstract
  • colleagues have also structured the interfaces of the gradients in their work on bioinspired 3D-printed fused deposition modeling materials, incorporating different patterns such as collagen-like triple helices into their geometric design, resulting in a 50% toughness increase compared to the non-graded
  • and material gradients, finite element (FE) simulations were performed using small deformation implicit modeling. The linear solver of the ANSYS static structural module was used for the FE simulations. Due to the low thickness of the metamaterial structures, the plane stress 2D model (PLANE 183
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Published 11 Sep 2025

Few-photon microwave fields for superconducting transmon-based qudit control

  • Irina A. Solovykh,
  • Andrey V. Pashchenko,
  • Natalya A. Maleeva,
  • Nikolay V. Klenov,
  • Olga V. Tikhonova and
  • Igor I. Soloviev

Beilstein J. Nanotechnol. 2025, 16, 1580–1591, doi:10.3762/bjnano.16.112

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  • qubits; Introduction Currently, quantum computing is under active development, opening new horizons for solving a number of problems that are difficult for classical processors, including modeling the behavior of quantum systems, optimization problems, breaking cryptographic systems, solving large
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Published 11 Sep 2025

Modeling magnetic properties of cobalt nanofilms used as a component of spin hybrid superconductor–ferromagnetic structures

  • Aleksey Fedotov,
  • Olesya Severyukhina,
  • Anastasia Salomatina and
  • Anatolie Sidorenko

Beilstein J. Nanotechnol. 2025, 16, 1557–1566, doi:10.3762/bjnano.16.110

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  • Aleksey Fedotov Olesya Severyukhina Anastasia Salomatina Anatolie Sidorenko Modeling Structures and Functional Materials Group, Institute of Mechanics, Udmurt Federal Research Center, Ural Division, Russian Academy of Sciences, Baramzinoy 34, Izhevsk 426067, Russia Nanotechnology and Microsystems
  • ., Dolgoprudny, 141701, Russia 10.3762/bjnano.16.110 Abstract The paper presents a mathematical model for studying the magnetic behavior of atoms, which takes into account spin and interatomic interactions. Two problems were solved by means of mathematical modeling. At the first stage, the problem of modeling a
  • thin films and the formation of Neel domain walls. Keywords: ferromagnetic properties; LAMMPS; mathematical modeling; MEAM; molecular dynamics; spin dynamics; Introduction Thin film structures [1][2] are increasingly employed each year in a wide range of applications, serving as functional [3][4
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Published 08 Sep 2025

The role of biochar in combating microplastic pollution: a bibliometric analysis in environmental contexts

  • Tuan Minh Truong Dang,
  • Thao Thu Thi Huynh,
  • Guo-Ping Chang-Chien and
  • Ha Manh Bui

Beilstein J. Nanotechnol. 2025, 16, 1401–1416, doi:10.3762/bjnano.16.102

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  • reliable candidate for modeling and experimental investigations [33]. According to Shams et al. [68], PS exhibits a critical coagulation concentration of 800 mM NaCl, significantly higher than PE’s 80 mM, which underscores PS’s stability in saline environments and its suitability for long-term studies. The
  • development of microbial-enriched biochar presents new opportunities for soil restoration, yet further research is needed to optimize its composition and stability. Advancements in computational modeling
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Published 21 Aug 2025

Deep-learning recognition and tracking of individual nanotubes in low-contrast microscopy videos

  • Vladimir Pimonov,
  • Said Tahir and
  • Vincent Jourdain

Beilstein J. Nanotechnol. 2025, 16, 1316–1324, doi:10.3762/bjnano.16.96

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  • overall performance, although potentially reducing recognition accuracy. Automating recognition and tracking is essential for high-throughput video analysis, which is critical for understanding and modeling complex nanoscale phenomena. The differential video treatment approach, combined with the deep
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Published 13 Aug 2025

Investigation of the solubility of protoporphyrin IX in aqueous and hydroalcoholic solvent systems

  • Michelly de Sá Matsuoka,
  • Giovanna Carla Cadini Ruiz,
  • Marcos Luciano Bruschi and
  • Jéssica Bassi da Silva

Beilstein J. Nanotechnol. 2025, 16, 1209–1215, doi:10.3762/bjnano.16.89

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  • (n = 3). TEM images of PpIX in polymeric systems comprising 10% (w/w) poloxamer 407 in purified water (A), EtOH50 (B) and EtOH77 (C). The images are at a scale of 200 nm. Mathematical modeling of the solubilization curves of PpIX dissolution in micellar systems using the Korsmeyer–Peppas model with
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Published 29 Jul 2025

Towards a quantitative theory for transmission X-ray microscopy

  • James G. McNally,
  • Christoph Pratsch,
  • Stephan Werner,
  • Stefan Rehbein,
  • Andrew Gibbs,
  • Jihao Wang,
  • Thomas Lunkenbein,
  • Peter Guttmann and
  • Gerd Schneider

Beilstein J. Nanotechnol. 2025, 16, 1113–1128, doi:10.3762/bjnano.16.82

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  • modeling the ellipsoidal mirror as an annular lens that produces a converging spherical wave at its focal point in the sample plane. An angular spectrum decomposition of this lens field shows that it is very accurately described as a sum of plane waves spanning the polar angular range (Supporting
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Published 15 Jul 2025

Time-resolved probing of laser-induced nanostructuring processes in liquids

  • Maximilian Spellauge,
  • David Redka,
  • Mianzhen Mo,
  • Changyong Song,
  • Heinz Paul Huber and
  • Anton Plech

Beilstein J. Nanotechnol. 2025, 16, 968–1002, doi:10.3762/bjnano.16.74

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Published 02 Jul 2025
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