bluuebunny/crossref_metadata_2025 huggingface dataset:
Microencapsulation of antioxidant phenolics from tamarind seed peels using chia gum and maltodextrin
Authors: Abdel-Aty Azza M. , Gad Abdul Aziz M. , Barakat Amal Z. , Mohamed Saleh A.
Published: February 2025

Tamarindus indica seeds/seed peels (TSP) are the main waste products from the tamarind industry and contain valuable bioactive antioxidant-phenolic compounds that promote human health; however, their application is limited due to their instability and poor solubility. Encapsulation is becoming more important in several industries due to its potential for preserving and delivering valuable and delicate bioactive compounds. This study targets the microencapsulation of TSP-phenolic compounds for incorporation into functional food formulations. By employing the freeze-drying method, three microcapsule formulations were developed using chia gum (CG), maltodextrin (M), and a mixture of the two (M/CG) as coating materials. The formed M-, M/CG-, and CG-microcapsules showed remarkable encapsulation efficiency of 88.0, 90.0, and 95.0%, respectively. They preserved most of the TSP-phenolic content (87.5–96.3%) and antioxidant activity (86.0-98.8%). They demonstrated higher digestibility percentages in the intestinal media (53.0–70.0%) than in the gastric media (29.0–36.0%), especially the microcapsules coated with CG. They kept the TSP-antioxidant-phenolic content safe at 40 °C for 2 months. The microcapsules demonstrated improved microstructures, swelling, solubility, and moisture content. Crosslinking and enhanced thermal stability were also proven for microcapsules via FTIR and thermogravimetric studies. In addition, the prepared microcapsules displayed better antimicrobial activity against the examined bacterial strains, with minimum bactericidal concentrations ranging from 0.61 to 1.4 mg/mL. In conclusion, the encapsulation improved the stability, bioavailability, and antibacterial properties of TSP-phenolic compounds, making them suitable for food and pharmaceutical applications.
A spatial transcriptomic signature of 26 genes resolved at single-cell resolution characterizes high-risk gastric cancer precursors
Authors: Huang Robert J. , Wichmann Ignacio A. , Su Andrew , Sathe Anuja , Shum Miranda V. , Grimes Susan M. , Meka Rithika , Almeda Alison , Bai Xiangqi , Shen Jeanne , Nguyen Quan , Luo Ingrid , Han Summer S. , Amieva Manuel R. , Hwang Joo Ha , Ji Hanlee P.
Published: February 2025

Gastric cancer precursors demonstrate highly-variable rates of progression toward neoplasia. Certain high-risk precursors, such as gastric intestinal metaplasia with advanced histologic features, may be at up to 30-fold increased risk for progression compared to lower-risk intestinal metaplasia. The biological differences between high- and low-risk lesions have been incompletely explored. In this study, we use several clinical cohorts to characterize the microenvironment of advanced gastric cancer precursors relative to low-risk lesions using bulk, spatial, and single-cell gene expression assays. We identified a 26-gene panel which is associated with advanced lesions, localizes to metaplastic glands on histopathology, and is expressed in aberrant mature and immature intestinal cells not normally present in the healthy stomach. This gene expression signature suggests an important role of the immature intestinal lineages in promoting carcinogenesis in the metaplastic microenvironment. These findings may help to inform future biomarker development and strategies of gastric cancer prevention.
Evaluating feature extraction in ovarian cancer cell line co-cultures using deep neural networks
Authors: Sharma Osheen , Gudoityte Greta , Minozada Rezan , Kallioniemi Olli P. , Turkki Riku , Paavolainen Lassi , Seashore-Ludlow Brinton
Published: February 2025

Single-cell image analysis is crucial for studying drug effects on cellular morphology and phenotypic changes. Most studies focus on single cell types, overlooking the complexity of cellular interactions. Here, we establish an analysis pipeline to extract phenotypic features of cancer cells cultured with fibroblasts. Using high-content imaging, we analyze an oncology drug library across five cancer and fibroblast cell line co-culture combinations, generating 61,440 images and ∼170 million single-cell objects. Traditional phenotyping with CellProfiler achieves an average enrichment score of 62.6% for mechanisms of action, while pre-trained neural networks (EfficientNetB0 and MobileNetV2) reach 61.0% and 62.0%, respectively. Variability in enrichment scores may reflect the use of multiple drug concentrations since not all induce significant morphological changes, as well as the cellular and genetic context of the treatment. Our study highlights nuanced drug-induced phenotypic variations and underscores the morphological heterogeneity of ovarian cancer cell lines and their response to complex co-culture environments.
A sulfone-functionalized molecular triangle as a strong anion receptor driven by anion–π interactions
Authors: Ma Yifan , Song Zihang , Guo Sidan , Han Han , Cai Kang
Published: February 2025

A pyromellitic diimide-based molecular triangle was functionalized with six strongly electron-withdrawing ethyl sulfone groups, significantly enhancing the π-acidity and anion recognition capability of the macrocycle.
Unveiling POM-Peptide Complexes: Molecular Insights into Metal Oxide Nanoparticle-Protein Interactions
Authors: Greijer Björn , Kessler Vadim G
Published: February 2025

Mineral nanoparticles (NPs) play a crucial role in biological systems, exhibiting enzyme-like "nanozyme" activity in protein oxidation and hydrolysis. To study NP interactions at the molecular level, we characterized complexes...
One-step solvothermal in situ synthesis of NiMOF nanosheets for high-performance supercapacitor applications
Authors: Wang Xiaojing , Lu Fenglian , Wu Zongjin , Zhang Kuantao , Li Song , Tu Rui , Luo Sha , Pan Hongyan , Wang Keliang , Lin Qian
Published: February 2025

The schematic diagram of the preparation of NiMOF nanosheets and the structure of asymmetric supercapacitors are shown in the figure.
Cooperative and competitive effects in pH-dependent surface composition of atmospherically relevant organic ions in water
Authors: Marinho Ricardo R. T. , Björneholm Olle , Mocellin Alexandra , Herbert de Abreu Gomes Anderson , Öhrwall Gunnar , Araújo Oscar Cardoso , Rocha Túlio C. R. , Naves de Brito Arnaldo
Published: February 2025

The molecular surface compositions of aerosols can differ considerably from their bulk counterparts, an aspect often overlooked in climate models.
Multiferroicity in two-dimensional III-V Indium Pnictide optoelectronic materials
Authors: Jang Jingwen , Ma Zhuang , Xu Yiguo
Published: February 2025

Three-dimensional (3D) III-V semiconductors including indium pnictides are widely used in optoelectronic devices, such as light-emitting diodes, laser diodes and photodetectors, in their bulk or thin-film geometries. On the other...
A Ring-Strain Model for Predicting 29Si NMR Chemical Shifts in Polyhedral Oligomeric Silsesquioxanes and Siloxanes
Authors: Laird Mathilde , Carcel Carole , Man Michel Wong Chi , Bartlett John R.
Published: February 2025

We present a model for predicting 29Si NMR chemical shifts (δ) in polyhedral oligomeric silsesquioxanes (POSS) and siloxanes (POS) incorporating rings with 3, 4, 5 and/or 6 Si atoms. The...
Magnetic activated carbon particles as stimuli-responsive vehicles for methotrexate
Authors: Lirio Piñar Juan Antonio , Lázaro Marina , Iglesias Guillermo R. , Romacho Tania , Delgado Angel , García-García Gracia , Ahualli Silvia
Published: February 2025

This study investigates porous activated carbon (AC) particles as drug delivery vehicles for methotrexate (MTX). To enhance functionality, magnetic nanoparticles are embedded in AC imparting superparamagnetic properties (MAC composites), making...
TiO2-modified porphyrin-based covalent organic frameworks for efficient catalytic CO2 conversion to cyclic carbonates
Authors: . Raveena , Kumari Pratibha
Published: February 2025

Carbon dioxide (CO2) is a potent greenhouse gas and a rapid increase in CO2 concentration has become a major environmental hazard. The chemical fixation of CO2 to produce value-added products...
Derivatives of 2-(3,4-dinitro-1H-pyrazol-1-yl) acetonitrile: Design strategy, syntheses, and properties of a series of new melt-cast explosives
Authors: Zhang Tong Wei , Yuan Xiao-feng , Xu Ze , Lu Ming , Xu Yuangang
Published: February 2025

Melt-cast explosives, the most widely used energetic materials in military composite explosives, play an important role in improving the energy and safety performance of military composite explosives. In this work,...
Anharmonicity-induced thermal rectification of a single diblock molecular junction inspired by the Aviram–Ratner diode
Authors: Nakamura Hisao , Karasawa Naoyuki
Published: February 2025

We examined the design of a unimolecular thermal diode inspired by the concept of the Aviram–Ratner diode and analyzed the anharmonic effects of molecular vibrations in the junction on heat transport.
Regioselective RAFT-HDA: a New Approach to Hyperbranched Polymers with Precise Topology Control
Authors: Zhang Jiayi , Cao Ruyue , Wang Xiaowei , Wang Yixuan , Feng An Chao
Published: February 2025

This study introduces a novel approach combining reversible addition-fragmentation chain transfer (RAFT) polymerization and hetero-Diels–Alder (HDA) reaction to efficiently synthesize hyperbranched polymers (HBPs) with controlled topology. The traditional ABn monomer...
Fabrication of p-Ni0.8Cu0.2WO4/n-Si heterojunction diode and 1 MHz rectifier operation
Authors: Kim Inseo , Yun Sora , Kim Hyun Jae , Yang Jung Yup , Lee Kyu Hyoung , Oh Min Suk , Lee Kimoon
Published: February 2025

Authors report the fabrication of heterostructure diode adopting p-Ni0.8Cu0.2WO4 oxide/n-Si junction, and its demonstration toward high speed rectifier circuit upto 1 MHz. Newly developed p-type Cu-doped NiWO4 was synthesized by...
Wet spinning of sodium carboxymethyl cellulose–sodium caseinate hydrogel fibres: relationship between rheology and spinnability
Authors: Vaniyan Lathika , Borah Pallab Kumar , Pavlovskaya Galina E. , Terrill Nick , Reid Joshua E. S. J. , Boehm Michael , Prochasson Philippe , Nicholson Reed A. , Baier Stefan , Yakubov Gleb E.
Published: February 2025

Mimicking the fibrous structures of meat is a significant challenge because natural plant protein assemblies lack the fibrous organisation ubiquitous in mammalian muscle tissues.
Microstructural evolution in drying colloidal films driven by evaporation and sedimentation: Lattice Boltzmann simulation and mathematical model
Authors: Yun Jinseong , Chun Byoungjin , Jung Hyun Wook
Published: February 2025

Understanding the temporal evolution of particle distribution during the drying of colloidal films is essential for advancing the design and optimization of film properties. This study investigates the dynamics of...
Quantitative rationalization of unexpectedly moderate water wettability on poly (vinyl alcohol) surfaces: Thermodynamic Evaluation and Prediction of Surface Hydrogen Bonding
Authors: Guo Zhuohuan , Ma Zhuoyuan , Wang Dayang
Published: February 2025

In this work, a series of poly (vinyl alcohol) (PVA) films with defined but varied water wettability were prepared by curing as-prepared PVA films at systematically adjusted temperatures. The polar...
Ultra-micropores of hard carbons for ultrafast Na-ion storage
Authors: Zhang Hu , Yin Jian , Ouyang Dandan , Liu Yu , Wu Ruiyao , Zhang Rui , Huo Ruiqiang , Yang Gaixiu , Cai Yanjun , Yin Jiao
Published: February 2025

A hard carbon with concentrated ultra-micropore sizes of 0.4–0.8 nm is prepared by a protonation-mediated strategy, which enables high plateau capacity and rate capability for sodium-ion batteries toward high energy and power densities.
Beryllium Dinitride Monolayer: A Multifunctional Direct Bandgap Anisotropic Semiconductor with Polymeric Nitrogen, Oxygen Reduction Catalysis, and Potassium Ion Storage Ability
Authors: Ni Shuang , Jiang Jiaxin , Wang Weiyi , Wu Xiaojun , Zhuo Zhiwen , Wang Zhuo
Published: February 2025

Searching two-dimensional multifunctional polynitride materials with novel properties and practical applications is an attractive challenge. A global energy minimum of beryllium dinitride monolayer (α-2D-BeN2) is predicted with global structure search...
Sulfur element achieves rapid and stable migration of Li+ in oxide cathode materials
Authors: Hou Lijuan , Liu Qi , Mu Daobin , Li Li , Wu Feng , Chen Renjie
Published: February 2025

Higher energy density can be obtained by increasing the charging cut-off voltage of Ni-rich materials to meet the range requirements of electric vehicles. However, Ni-rich layered cathode materials exhibit severe...
A T1 MRI detectable hyaluronic acid hydrogel for in vivo tracking after intracerebral injection in stroke
Authors: Said Moustoifa , Jing Jing , Montigon Olivier , Collomb Nora , Vossier Frédérique , Chovelon Benoit , El Amine Bayan , Jeacomine Isabelle , Lemasson Benjamin , BARBIER Emmanuel L , Detante Olivier , Rome Claire , Auzély Rachel
Published: February 2025

Injectable hydrogels have emerged as a promising strategy for stroke and neurodegenerative diseases, but their effectiveness depends on precise injection, defect filling, and long-term retention at the target site. While...
Theoretical Understanding and Prediction of Metal-doped CeO2 Catalysts for Ammonia Dissociation
Authors: Shen Yongjie , Kaewraung Wongsathorn , Gao Min
Published: February 2025

Ammonia plays a critical role in energy and environmental catalysis, particularly in ammonia dissociation reactions. Understanding the adsorption and dissociation of ammonia-related species during catalyst is essential for the development...
Conformal phosphating hierarchical interface of CC/CoNiMn-P for hybrid supercapacitors with high rate stable cycling
Authors: Wang Dongxu , Zhu Feng , Dang Yupeng , Luan JingZe , Li MingQuan , Shen Zexiang , Han Dandan
Published: February 2025

Transition metal phosphides (TMPs) have gained widespread applications in the field of electrochemical energy storage. However, controlled morphology and multi-site dynamic activation remain challenging. Herein, a thin-walled, hollow, and porous...
Metal-free catalytic de novo construction of multi-functionalized trifluoromethylarenes through [3 + 3] benzannulation at low catalyst loadings
Authors: He Qing , Xiang Yu-Qi , Zhou Rui , Liu Bin , Wang Rong-Hua , Kong Xiang-Kai , Bai Song , Li Miao , Yang Guang-Jun , Zhu Gao-Feng
Published: February 2025

A low catalyst loading and transition metal-free benzannulation of β,γ-alkynyl-α-keto esters and CF3-alkenes has been developed through Michael-triggered [3 + 3] annulation.
Effects of limited core rejuvenation on the properties of massive contact binaries
Authors: Vandersnickt J. , Fabry M.
Published: February 2025

Massive contact binaries are both stellar-merger and gravitational-wave progenitors, but their evolution is still uncertain. An open problem in the population synthesis of massive contact binaries is the predicted mass ratio distribution. Current simulations evolve quickly to mass ratios close to unity, which is not supported by the sample of observed systems. It has been shown that modifying the near core mixing properties of massive stars can alter the evolution of contact binaries, but this has not been tested on a whole population. We implement a prescription of the convective core overshooting based on the molecular gradient. The goal of the implementation is to limit the rejuvenation efficiency of the accretor. We aim to investigate the effects of the reduced rejuvenation on the mass ratio distribution of massive contact binaries. We calculated a grid of models using the binary-evolution code MESA with our convective overshoot formulation, and we compared the simulations with the known observations of massive contact binaries. We find that by limiting core rejuvenation through the convective core overshoot, the predicted mass ratio distribution shifts significantly to values away from unity. This improves the theoretical predictions of the mass ratios of massive contact binaries. The core rejuvenation of the components in massive contact binaries is a key parameter for their predicted mass ratio distribution. Establishing the rejuvenation efficiency within the contact binary population should therefore be possible. The sample size and uncertainties associated with the characterization of contact binaries, however, prevents us from doing so, and other methods like asteroseismology can place constraints on the rejuvenation process.
Integrated evidence reveals a new subspecies of the genus Seuratascaris (Nematoda: Ascaridomorpha), with characterization of the complete mitochondrial genome
Authors: Gu Xiao-Hong , Mu Jia-Tong , Chen Hui-Xia , Li Liang
Published: February 2025

Species of Seuratascaris Sprent, 1985 are a rarely reported group of ascaridoid nematodes, parasitising various frogs and toads. In the present study, a new subspecies of Seuratascaris, S. physalis bazhaiensis n. subsp. was described using integrated taxonomic methods, based on specimens collected from Odorrana graminea (Anura: Ranidae) in Guangxi Zhuang Autonomous Region, China. Results of the Assemble Species by Automatic Partitioning (ASAP) and Bayesian inference based on the mitochondrial cox1, cox2 and rrnS data all supported S. physalis bazhaiensis representing a distinct taxon from the nominate subspecies S. physalis physalis. Supplementary morphometric and genetic data of S. phy. physalis are presented based on newly collected material from Odorrana tiannanensis (Anura: Ranidae) and Rhacophorus sp. (Anura: Rhacophoridae) in Yunnan Province, China. A key to species of Seuratascaris is provided. The complete mitochondrial genome of S. physalis bazhaiensis was sequenced and annotated, and represents the first mitogenomic data for the genus Seuratascaris. This mitogenome has only 13,628 bp (including 12 protein-coding genes, 22 tRNA genes, 2 ribosomal RNAs, and only 1 non-coding region), and is the smallest of the reported ascaridoid mitogenomes so far.
Ion density waves driving the formation of filamentary dust structures
Authors: Mendoza A. , Jiménez Martí D. , Matthews L. S. , Rodríguez Saenz B. , Hartmann P. , Kostadinova E. , Rosenberg M. , Hyde T. W.
Published: February 2025

The PlasmaKristall-4 (PK-4) experiment on the International Space Station allows for the study of the three-dimensional interaction between plasma and dust particles. Previous simulations of the PK-4 environment have discovered fast moving ionization waves in the dc discharge [Hartmann et al., Plasma Sources Sci. Technol. 29, 115014 (2020)]. These ionization waves vary the plasma parameters by up to an order of magnitude, which may affect the mechanisms responsible for the self-organization of chains seen in the PK-4 experiment. Here, we adapt a molecular dynamics simulation to employ temporally varying plasma conditions in order to investigate the effect on the dust charging and electrostatic potential. In order to describe the differences between the average of the plasma conditions and the time-varying plasma condition, we present a model to reproduce the interaction that takes into account the negative potential from the dust grain and the positive potential from the ion wake.
Simulations of saturated MHD activity in the HBT-EP tokamak
Authors: Arnold David A. , Hansen C. J. , Levesque J. P. , Chandra R. N. , Li Boting , Saperstein A. R. , Navratil G. A.
Published: February 2025

The NIMROD code is used to perform simulations of MHD activity in the HBT-EP tokamak, including the effect of a resistive wall. Linear simulations are conducted to scan current and pressure profiles to establish self-consistent baseline equilibria that result in MHD instabilities with low error between experimental diagnostics and synthetic equivalents. A family of such equilibria is found with relatively peaked current and pressure profiles. Nonlinear simulations are performed using the optimal equilibrium, which is linearly unstable to a Resistive Wall Mode—stable in the ideal wall limit and with an Alfvénic growth rate in the no-wall limit. Using resistive wall boundary conditions, nonlinear Hall MHD simulations yield a rotating, saturated n=1 mode similar to the type observed experimentally in HBT-EP discharges. An n=1 mode around the q=2 surface mediates a localized axisymmetric perturbation that flattens the plasma current from a linearly unstable state to a 3D, rotating, stable state. During the saturated period, periodic changes in inter-diagnostic phase lag allow for qualitative estimations of effective, macroscopic transport coefficients used in MHD closure models and could be extended to model post-disruption MHD structure rotation after thermal quenches seen in HBT-EP.
Al0.8Sc0.2N film-based BAW filters using transfer process for Wi-Fi6 applications
Authors: Wang Yaxin , Yang Tingting , Gao Chao , Yang Chaoxiang , Lin Binghui , Liu Yan , Cai Yao , Sun Chengliang
Published: February 2025

With the emergence of fifth-generation communication systems, filters with bandwidth (BW) >5% and center frequency >4 GHz are in urgent need. This work presents film bulk acoustic resonators (FBARs) and bulk acoustic wave (BAW) filters based on Al0.8Sc0.2N films. To obtain a better quality AlScN film, we deposited AlScN by physical vaper deposition method on metal-organic chemical vapor deposition developed AlN seed, which was deposited directly on a Si (111) substrate. Using film transfer technology combined with adopting different FBAR structures, filter topology circuits, and external circuits, a BAW filter with a minimum insertion loss of 1.819 dB, a center frequency of 5.56 GHz, a −3 dB BW of 599 MHz, and an out-of-band suppression of at least 35 dB is fabricated and presented in this work.
Prediction of hydration energies of adsorbates at Pt(111) and liquid water interfaces using machine learning
Authors: Shi Jiexin , Zhang Xiaohong , Punyapu Venkata Rohit , Getman Rachel B.
Published: February 2025

Aqueous phase heterogeneous catalysis is important to various industrial processes, including biomass conversion, Fischer–Tropsch synthesis, and electrocatalysis. Accurate calculation of solvation thermodynamic properties is essential for modeling the performance of catalysts for these processes. Explicit solvation methods employing multiscale modeling, e.g., involving density functional theory and molecular dynamics have emerged for this purpose. Although accurate, these methods are computationally intensive. This study introduces machine learning (ML) models to predict solvation thermodynamics for adsorbates on a Pt(111) surface, aiming to enhance computational efficiency without compromising accuracy. In particular, ML models are developed using a combination of molecular descriptors and fingerprints and trained on previously published water–adsorbate interaction energies, energies of solvation, and free energies of solvation of adsorbates bound to Pt(111). These models achieve root mean square error values of 0.09 eV for interaction energies, 0.04 eV for energies of solvation, and 0.06 eV for free energies of solvation, demonstrating accuracy within the standard error of multiscale modeling. Feature importance analysis reveals that hydrogen bonding, van der Waals interactions, and solvent density, together with the properties of the adsorbate, are critical factors influencing solvation thermodynamics. These findings suggest that ML models can provide rapid and reliable predictions of solvation properties. This approach not only reduces computational costs but also offers insights into the solvation characteristics of adsorbates at Pt(111)–water interfaces.
A high-T
c superconducting diode with large current carrying capacity
Authors: Brooks J. M. , Mataira R. , Simpson T. , Badcock R. A. , Bumby C. W.
Published: February 2025

Superconducting diodes enable lossless current flow in one direction and could serve in a variety of applications similar to their semiconductor counterparts, such as current rectification, temperature sensing, and logic circuits. However, no superconducting diodes reported in the literature have a forward current carrying capacity exceeding 1 A, and hence are not suitable for use in superconducting power applications. Here, we present a high-Tc superconducting diode that leverages permanent magnets to induce an asymmetry in the critical current of a superconducting coated conductor upon current reversal. The magnets are arranged to replicate the self-field of the conductor at Ic, causing constructive or destructive interference with the transport current's self-field depending on the current direction. This interference generates asymmetric internal magnetic field distributions, leading to the directional suppression of the critical current density and a diode effect. We demonstrate ΔIc values > 150 A and a half-wave transformer rectifier using a single high-Tc flux diode submerged in liquid nitrogen, which rectifies 30 A into a 220 μH superconducting magnet.
Research on PVDF/BNNSs/MXene multilayer films with high energy density and thermal conductivity for dielectric capacitors
Authors: Meng Shuo , Zhao Tong , Wang Zhijuan , Wang Xiaosong , Wang Xiaolong , Zhang Yuantao
Published: February 2025

Polyvinylidene fluoride (PVDF) has promising applications in the field of dielectric capacitors. However, its low dielectric constant and thermal conductivity limit energy storage density. To address this, three multilayer composite topologies were designed with PVDF/boron nitride nanosheets as insulation and PVDF/MXene as polarization layers. A performance evaluation framework based on the analytic hierarchy process technique for order preference by similarity to the ideal solution method identified the insulation–polarization–polarization–insulation topology as the optimal configuration. This structure enhanced the dielectric performance (εr/tan δ) by 239.44% over pure PVDF at 103 Hz, increased thermal conductivity by 60.45%, and improved breakdown field strength. In addition, charge–discharge efficiency at 300 MV/m reached 75%, with a discharge density of 6.3 J/cm3, which is 152% higher than PVDF. The multilayer design effectively integrates the strengths of each layer to significantly enhance the overall performance, demonstrating that operational research methods are practical for evaluating dielectric materials and guiding design.
Advantages of momentum work. I. Absolute time
Authors: Kalies Grit , Do Duong D.
Published: February 2025

This series presents the advantages of momentum work, a form of work that is missing in classical and quantum mechanics. In mechanics, forces are assumed to mediate interactions and actively change the properties of objects—an idea that is based on the kinematic concept of velocity and has led to indeterminacy at the quantum level and to spacetime theories at the macrolevel, according to which space and time are relative. A different picture emerges when only processes with energy transfer, including a form of work that changes the momentum of objects, can change the properties of objects, even at the quantum level. The aim of this series is to show that the priority of processes over forces leads to a vivid and deterministic description of the temporal behavior of matter in Euclidean space. In this first paper of the series, we address the conceptual content of basic variables, with a focus on velocity. When velocity is treated as a dynamic state variable of a material object, rather than a kinematic quantity, absolute time and absolute simultaneity are an imperative logical consequence.
Growth of nitrogen-doped (010) β-Ga2O3 by plasma-assisted molecular beam epitaxy using an O2/N2 gas mixture
Authors: Rebollo Steve , Liu Yizheng , Peterson Carl , Krishnamoorthy Sriram , Speck James S.
Published: February 2025

In this study, we report on the intentional nitrogen doping of plasma-assisted MBE (PAMBE)-grown (010) β-Ga2O3 films by generating the growth plasma with an O2 and N2 gas mixture. A nitrogen doping range of 1.3 × 1018 to 4.5 × 1019 cm−3 was achieved. The nitrogen doping profiles have top-hat shapes with sharp turn-on and turn-off. Nitrogen doping was found to have a negligible impact on surface morphology. Nitrogen incorporation was unaffected by gallium flux and growth temperatures over a large growth window. An incorporation dependence on plasma power and total gas flow rate was observed. This was attributed to the N2 triple bond strength compared to the O2 double bond strength, which makes N2 harder to crack in the plasma source. Increasing the plasma power from 140 to 230 W increased nitrogen incorporation by 1.6×, while increasing the total gas flow rate from 0.8 to 2.0 sccm decreased incorporation by 3.2×. The compensation effect of nitrogen was verified by characterizing effective carrier concentration in conducting tin and nitrogen co-doped films. A 2.1 V built-in voltage was extracted from a nitrogen-doped, n− junction device using CV measurements. The device was found to exhibit rectifying behavior with a 100 A/cm2 current density at 2.9 V. The junction demonstrated here can play a key role in field management and electrostatic engineering for β-Ga2O3-based power devices. Overall, the controllability of PAMBE nitrogen doping and the properties of nitrogen-doped films suggest PAMBE-grown, nitrogen-doped layers have promising power device applications.
Simulating nonadiabatic dynamics in benzophenone: Tracing internal conversion through photoelectron spectra
Authors: Restaino Lorenzo , Schnappinger Thomas , Kowalewski Markus
Published: February 2025

Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light-emitting diodes. In particular, its intersystem crossing from the first singlet excited state to triplet states has been extensively studied, but experimental or theoretical studies on the preceding internal conversion within the singlet manifold are very rare. This relaxation mechanism is particularly important because direct population transfer of the first singlet excited state from the ground state is inefficient due to its low oscillator strength. In this work, our aim is to fill this gap by employing mixed quantum-classical and full quantum dynamics simulations and time-resolved photoelectron spectroscopy for gas-phase benzophenone and meta-methyl benzophenone. Our results show that nonadiabatic relaxation via conical intersections leads to an increase in the population of the first singlet excited state, which appears linear within the simulation time of 500 fs. This population transfer due to conical intersections can be directly detected by a bifurcation of the photoelectron signal. In addition, we discuss to clarify the role of the third singlet excited state degenerate to the second excited state—a topic that remains largely unexplored in the existing literature on benzophenone.
Peptide classification from statistical analysis of nanopore sensing experiments
Authors: Hoßbach Julian , Tovey Samuel , Ensslen Tobias , Behrends Jan C. , Holm Christian
Published: February 2025

Peptide classification using nanopore-based devices promises to be a breakthrough method in basic research, diagnostics, and analytics. However, the measured blockage currents suffer from a low signal-to-noise ratio and a high information density that has hitherto not been fully deciphered. Some simple machine learning approaches using average current blockade depths and dwell-times have been investigated to improve this situation. In this work, a comprehensive statistical analysis of nanopore current signals is performed and demonstrated to be sufficient for classifying up to 42 peptides with over 70% accuracy. Two sets of features, the statistical moments and the catch22 set, are compared both in their representations and after training small classifier neural networks. We demonstrate that complex features of the events, captured in both the catch22 set and the central moments, are key to classifying peptides with otherwise similar mean currents. These results highlight the efficacy of purely statistical analysis of nanopore data and suggest a path forward for more sophisticated classification techniques.
Retainable large magnetoelectric coupling in BiFeO3@CoFe2O4 core-shell nanoparticle embedded P(VDF-TrFE) matrix
Authors: Wang Chenyang , Xu Lingfang , Lv Xiang , Ge Yalong , Wang Ruilong , Liang Shiheng , Xiao Haibo , Yang Changping
Published: February 2025

Flexible magnetoelectric composite devices have exceptional features and potential in peculiar scenes. However, maintaining the magnetoelectric response under extreme bending conditions remains a challenge. Polyvinylidene fluoride-based polymers, possessing favorable piezoelectric properties and high flexibility, provide a viable solution for magnetoelectric composites. This work constructed multiferroic core-shell nanoparticle-embedded flexible membranes and achieved a retainable high magnetoelectric (ME) coupling coefficient in the curved composite materials. A maximum ME coefficient of 74 mV cm−1 Oe−1 was obtained, far higher than the 0–3 ME nanocomposites reported thus far. The ME coefficient can be maintained above 40 mV cm−1 Oe−1 when the bending angle is less than 90° and expresses high sensitivity within the Hdc range of 100–2400 Oe. Based on crystal structure analysis and phase-field simulation, the synergy magnetoelectric effects accounting for the multiferroic core-shell nanoparticles, copolymer matrix, and magnetic cores contribute to the promoted ME coefficient in the flexible composites. This work provides a feasible pathway for next-generation flexible devices in the wearable and portable fields.
Dynamics of quantum–classical systems in nonequilibrium environments
Authors: Schofield Jeremy , Kapral Raymond
Published: February 2025

The dynamics of a quantum system coupled to a classical environment and subject to constraints that drive it out of equilibrium are described. The evolution of the system is governed by the quantum–classical Liouville equation. Rather than evaluating the evolution of the mixed quantum–classical density operator, we derive exact equations of motion for the nonequilibrium average values of a set of operators or variables, along with correlation function expressions for the dissipative coefficients that enter these equations. These equations are obtained by requiring that the exact nonequilibrium averages are equal to local nonequilibrium averages that depend on auxiliary fields whose values satisfy evolution equations obtained using projection operator methods. The results are illustrated by deriving reaction–diffusion equations coupled to fluid hydrodynamic equations for a solution of quantum particles that can exist in two metastable states. Nonequilibrium steady states are discussed along with the reaction rate and diffusion correlation functions that characterize such states.
Magnonic Fabry–Pérot resonators as programmable phase shifters
Authors: Lutsenko Anton , Fripp Kevin G. , Flajšman Lukáš , Shytov Andrey V. , Kruglyak Volodymyr V. , van Dijken Sebastiaan
Published: February 2025

We explore the use of magnonic Fabry–Pérot resonators as programmable phase shifters for spin-wave computing. The resonator, composed of an yttrium iron garnet film coupled with a CoFeB nanostripe, operates through dynamic dipolar coupling, leading to wavelength downconversion and the formation of a magnonic cavity. Using super-Nyquist sampling magneto-optical Kerr effect microscopy and micromagnetic simulations, we demonstrate that these resonators can induce a π phase shift in the transmitted spin wave. The phase shift is highly sensitive to the magnetization alignment within the resonator, allowing for on-demand control via magnetic switching. This feature, combined with low-loss transmission, positions the magnonic Fabry–Pérot resonator as a promising component for reconfigurable magnonic circuits and spin-wave computing devices.
Declustering of macroparticles in long-term simulations of plasma wakefield acceleration
Authors: Kargapolov I. Yu. , Okhotnikov N. V. , Shalimova I. A. , Sosedkin A. P. , Lotov K. V.
Published: February 2025

A recently developed three-dimensional version of the quasistatic code LCODE has a novel feature that enables high-accuracy simulations of the long-term evolution of waves in plasma wakefield accelerators. Equations of plasma particle motion are modified to suppress clustering and numerical heating of macroparticles, which otherwise occur because the Debye length is not resolved by the numerical grid. The previously observed effects of premature wake chaotization and wavebreaking disappear with the modified equations.
Phase transition induced inherent superhydrophobicity on Al alloys surface via femtosecond laser multi-scanning process
Authors: Yan Dandan , Xu Caixue , Zou Tingting , Zhang Hao , Xu Jiapei , Li Lin , Cui Linkun , Zhang Bo , Yang Jianjun
Published: February 2025

Fabrication of biomimetic superhydrophobic metals has attracted considerable interest because of their exceptional surface wettability. Conventional methods for achieving this property often rely on additional organic coatings to lower the surface energy; however, they are very prone to chemical decomposition and even flaking during practical usages. Here, we demonstrated that the laser-induced phase transition in hierarchical structures of metal surface can act as an effective approach to directly produce the superhydrophobic effect without any organic decorations. Through gradual increasing numbers of the femtosecond laser processing, we transfer the surface structures from the initial polycrystalline material into the super-nanometer-sized dual-phase and three-phase material that consists of nano and para-crystallinity embedded in amorphous substance, both of which contribute to lowering the surface energy. Meanwhile, the geometrical profiles of the surface structures become richer and more complicated for improving the stability of air pockets. Remarkably, it is found that both the mechanical and chemical durability of such superhydrophobic surfaces are enhanced significantly for the three-phase based material. This study describes the great value of the metal phase transition in achieving the inherent superhydrophobic properties, which provides a different route to develop high-performance coating-free superhydrophobic surfaces.
Transient, oscillatory, and flickering energy output behavior in heterogeneous solid propellants: A revisit via cluster packing model calculations
Authors: Chen Kaixuan , Xue Xiaochun , Yu Yonggang
Published: February 2025

This study is dedicated to elucidating the energy instability phenomena exhibited by heterogeneous ammonium perchlorate/hydroxyl-terminated polybutadiene (AP/HTPB) propellant. The microscale structural intricacies of the heterogeneous attributes are mathematically represented through a stochastic rigid circle packing model. The propellant combustion process is simulated via the semi-global kinetic method, which delineates the intricacies of the reaction mechanism. In terms of pyrolysis characteristics of the condensed phase, a temperature-dependent kinetic sub-model is employed, while the complex gas-phase reactions are modeled using the conventional multiple flame model. The transient surface evaluation is meticulously tracked by a Hamilton–Jacobi equation, sourced from the generalized level-set equations. Remarkably, the predicted average burning rates of the simulated AP/HTPB propellant closely align with experimental reference data, underscoring the model's fidelity. The transient variations in temperature, flame dynamics, gas velocity, and gas species concentrations are exhaustively analyzed. These empirical insights significantly contribute to bridging the knowledge gap in the Western scientific community, which has hitherto limited discussions on the specific combustion behaviors of AP/HTPB propellants under elevated pressures. Finally, during the comprehensive discussion of several pivotal parameters—averaged mass flux and average surface temperature—potential future research trajectories for AP/HTPB propellant combustion are proposed. This model, along with its resultant simulations, offers profound insights into combustion instabilities intrinsic to the heterogeneous structural composition of solid propellants.
Self-organized oblique waves upstream of the leading edge of a flat plate
Authors: Yang Congrui , Feng Zhenghao , Lee Cunbiao
Published: February 2025

In this paper, for the first time, we report the formation of self-organized oblique waves upstream of the leading edge of a flat plate. The flow structures are identified by a reflection method and a refraction method via the visualization of water waves. The results show that the interaction of oblique waves leads to the deformation of two-dimensional waves. The oblique waves propagate upstream from the leading edge at all flow velocity cases. As the flow velocity increases, the angle between the oblique waves and the leading edge decreases.
A novel 22-bp InDel in the intron 1 of the IGF1 gene is associated with slaughtering performance of Chinese Jiaji duck
Authors: Wu Fanghu , Gu Lihong , Shang Yuanyuan , Zhang Xiaohui , Xu Zixin , Xu Tieshan
Published: February 2025

Context Insertion/deletion can affect poultry growth traits and slaughter performance. Poultry performance can be progressively improved by selecting poultry individuals carrying favorable variants for breeding. Aims The aim of this study was to analyze the correlation between insertion/deletion (InDel) polymorphisms in insulin-like growth factor 1 (IGF1) gene and slaughter performance and growth traits of Jiaji ducks. Methods We measured the growth traits and slaughter performance of 102 Jiaji ducks randomly selected at 90 days of age. The polymerase chain reaction products of Jiaji duck were genotyped using 2% agarose gel electrophoresis. One 22-bp InDel variant was found in the intron 1 of the IGF1 gene. General linear-model (GLM) procedures were used to determine the growth traits and slaughter performances with different InDel genotypes. Key results This 22-bp InDel variant exerted a significant influence on pre-slaughter bodyweight, carcass weight, eviscerated weight, percentage of skin fat, percentage of lean meat and percentage of leg muscle. The 22-bp InDel was adjacent to the transcription start site of the IGF1 gene and predicted to be nearby the core promoter of the IGF1 gene. The InDel mutation resulted in the loss of four transcription factor binding sites. The expression level of IGF1 mRNA was significantly reduced in the breast muscle of mutant individuals. Conclusions The results showed that the 22-bp InDel of the IGF1 gene had a significant effect on the slaughtering performance. Among the growth traits, the bodyweight showed significant effects, whereas no significant impacts were observed on other traits. Implications The InDel locus of the IGF1 gene can be used as a useful molecular marker for genetic breeding of Jiaji ducks.
A UDL blended curriculum metamodel for proficiency-oriented Chinese instruction
Authors: Yu Qiaona , Lei Yuyun , Lu Lu
Published: February 2025

With its evident need in a globalized era, world language education has nonetheless faced a precipitous enrollment decline in the U.S. This study responds to such challenges by proposing a Universal Design for Learning (UDL) Blended Curriculum Metamodel. The Metamodel aims to provide proficiency-oriented instruction for learners across levels with diverse backgrounds, abilities, and needs. At the novice-intermediate level, a technology-enriched asynchronous series was designed as an integral or supplementary part of a face-to-face class with the aim to provide multiple means of representation and action & expression. At the intermediate-advanced level, a self-guided project was designed to provide students with multiple means of engagement. The study examined the effectiveness of the proposed Metamodel via students’ perceptions and discussed implications for its further implementations.
Predicate nominals in Tshila
Authors: Storment John David
Published: February 2025

Tshila /tshílà/ is a Kalahari Khoe language spoken in central-southeastern Botswana by approximately
300 people (Schwab & Collins 2024). It is an SOV language. Tshila has a copular
predicate nominal construction with the word order [Noun Noun COP]. The nouns in this language can vary in size according to
factors such as the projection of phi-feature morphology and the presence of constituent negation and focus. Also possible in
Tshila is predicate inversion. The interaction of the size of the DPs along with the presence of inversion shows interesting
constraints on nominative Case assignment and phi-agreement. The analysis of this construction supports a universal hierarchy of
phi-features (Harley & Ritter 2002; Béjar 2003), not only within nominals but also
on phi-probes. This analysis unifies Case assignment and phi-agreement as a single operation (Chomsky 2000; 2001; Platzack
2006; Legate 2008; Georgi 2017),
which supports the view that Case assignment is not postsyntactic.
An atomistic K-test framework for general grain boundaries and triclinic single crystals
Authors: Brunner Florian , Andric Predrag , Maresca Francesco
Published: February 2025

In the present study, an atomistic K-test framework for the fracture toughness assessment of generally oriented grain boundaries (tilt, twist, mixed) and triclinic single crystals is investigated. Boundary conditions for the modelling of cracks along the interfaces of bicrystals are derived based on the 6th-order Stroh formalism and compared with established approaches. Thereby, especially the oscillations in the relevant field quantities due to mode I loading are critically assessed. It is found that for engineering applications, these oscillations do not compromise the validity of the employed approach since they are confined to a negligibly small region at the crack tip. Next, the 6th-order Stroh approach is used to investigate crack propagation along grain boundaries under mode I loading. A crack identification and crack tip tracing scheme is included to update the imposed boundary conditions during the simulations. Lastly, a physically-motivated method is discussed and incorporated, which allows for the unambiguous determination of the fracture toughness, including challenging setups such as generally oriented grain boundaries. The so-established K-test setup is validated with a series of numerical examples.
Equilibrium and nonequilibrium Gibbs states on sofic groups
Authors: Shriver Christopher
Published: February 2025

Recent work of Barbieri and Meyerovitch has shown that, for very general spin systems indexed by sofic groups, equilibrium (i.e. pressure-maximizing) states are Gibbs. The main goal of this paper is to show that the converse fails in an interesting way: for the Ising model on a free group, the free-boundary state typically fails to be equilibrium as long as it is not the only Gibbs state. For every temperature between the uniqueness and reconstruction thresholds a typical sofic approximation gives this state finite but non-maximal pressure, and for every lower temperature the pressure is non-maximal over every sofic approximation. We also show that, for more general interactions on sofic groups, the local on average limit of Gibbs states over a sofic approximation Σ, if it exists, is a mixture of Σ-equilibrium states. We use this to show that the plus- and minus-boundary-condition Ising states are Σ-equilibrium if Σ is any sofic approximation to a free group. Combined with a result of Dembo and Montanari, this implies that these states have the same entropy over every sofic approximation.