bluuebunny/crossref_metadata_2025 huggingface dataset:
Overall biomass yield on multiple nutrient sources
Authors: Golan Ohad , Gampp Olivia , Eckert Lina , Sauer Uwe
Published: February 2025

Microorganisms primarily utilize nutrients to generate biomass and replicate. When a single nutrient source is available, the produced biomass typically increases linearly with the initial amount of that nutrient. This linear trend can be accurately predicted by “black box models”, which conceptualize growth as a single chemical reaction, treating nutrients as substrates and biomass as a product. However, natural environments usually present multiple nutrient sources, prompting us to extend the black box framework to incorporate catabolism, anabolism, and biosynthesis of biomass precursors. This modification allows for the quantification of co-utilization effects among multiple nutrients on microbial biomass production. The extended model differentiates between different types of nutrients: non-degradable nutrients, which can only serve as a biomass precursor, and degradable nutrients, which can also be used as an energy source. We experimentally demonstrated using Escherichia coli that, in contrast to initial model predictions, different nutrients affect each other’s utilization in a mutually dependent manner; i.e., for some combinations, the produced biomass was no longer proportional to the initial amounts of nutrients present. To account for these mutual effects within a black box framework, we phenomenologically introduced an interaction between the metabolic processes involved in utilizing the nutrient sources. This phenomenological model qualitatively captures the experimental observations and, unexpectedly, predicts that the total produced biomass is influenced not only by the combination of nutrient sources but also by their relative initial amounts – a prediction we subsequently validated experimentally. Moreover, the model identifies which metabolic processes – catabolism, anabolism, or precursor biosynthesis—is affected in each specific nutrient combination, offering insights into microbial metabolic coordination.
Influenza A virus rapidly adapts particle shape to environmental pressures
Authors: Partlow Edward A. , Jaeggi-Wong Anna , Planitzer Steven D. , Berg Nick , Li Zhenyu , Ivanovic Tijana
Published: February 2025

Enveloped viruses such as influenza A virus (IAV) often produce a mixture of virion shapes, ranging from 100 nm spheres to micron-long filaments. Spherical virions use fewer resources, while filamentous virions resist cell-entry pressures such as antibodies. While shape changes are believed to require genetic adaptation, the mechanisms of how viral mutations alter shape remain unclear. Here we find that IAV dynamically adjusts its shape distribution in response to environmental pressures. We developed a quantitative flow virometry assay to measure the shape of viral particles under various infection conditions (such as multiplicity, replication inhibition and antibody treatment) while using different combinations of IAV strains and cell lines. We show that IAV rapidly tunes its shape distribution towards spheres under optimal conditions but favours filaments under attenuation. Our work demonstrates that this phenotypic flexibility allows IAV to rapidly respond to environmental pressures in a way that provides dynamic adaptation potential in changing surroundings.
Simple Executive Function as an endophenotype of autism-ADHD, and differing associations between simple versus complex Executive Functions and autism/ADHD traits
Authors: Hendry Alexandra , Bedford Rachael , Agyapong Mary , Begum Ali Jannath , Bazelmans Tessel , Ersoy Mutluhan , Goodwin Amy , Mason Luke , Narvekar Nisha , Pasco Greg , Johnson Mark. H. , Jones Emily J. H. , Charman Tony ,   The STAARS Team, Dafner Leila , Fish Laurel , Gliga Teodora , Haartsen Rianne , Halkola Hanna , Holman Rebecca , Kalwarowsky Sarah , Kolesnik Anna , Taylor Chloë
Published: February 2025

Autism and ADHD are associated with difficulties with Executive Functions (EFs), but the prevalence and nature of these difficulties in early development is not well understood. In this longitudinal study, 107 children with a family history of autism and/or ADHD (FH-autism/ADHD), and 24 children with No-FH-autism/ADHD completed multiple EF tasks (5 at age 2 years, 7 at age 3 years). Parents reported on their child’s autism- (Q-CHAT at age 2, SRS-2 at age 3), and ADHD-related traits (CBCL DSM-ADHD scale, both ages). Compared to the No-FH-autism/ADHD group, the FH-autism/ADHD group showed lower scores on simple EFs (involving response inhibition, and holding in mind) at ages 2 and 3. Exploratory analysis linked FH-autism specifically with lower Executive Attention (top-down attentional control) at age 2, and the combination of FH-autism and FH-ADHD with lower Complex EF (involving selectively deploying responses, or updating information) at age 3. Three-year-olds’ Simple EF scores were negatively associated with ADHD-related traits. Complex EF scores were negatively associated with autism traits (before correcting for multiple comparisons). Toddlers with a family history of autism and/or ADHD may benefit from interventions to support simple EF development, whilst those already showing autistic traits may benefit from support with more-complex EF skills.
Reconstruction of porous media pore structure and simulation effect analysis of multi-index based on SNESIM algorithm
Authors: Xie Qing , Gao Jiaqi , Ye Xiaochuang , Li Jia , Song Yifei , Hu Siwen
Published: February 2025

The pore structure of porous media directly affects its permeability characteristics and fluid flow properties, making the accurate reconstruction of these structures of great significance. In recent years, multi-point statistics (MPS) methods have been widely used in pore structure modeling. Among them, the SNESIM algorithm, as an advanced MPS technique, has been extensively applied in the study of porous media pore structures. This paper aims to investigate the use of the SNESIM algorithm for reconstructing pore structures on 2D core slices with varying porosities, all taken from the same core. It also analyzes the effectiveness, limitations, and applicable conditions of the algorithm. This study utilizes CT scan images to construct digital core technology and applies the SNESIM algorithm to reconstruct pore structures of core slices with different porosities. By analyzing performance parameters such as porosity, pore throat ratio, average grain radius, coordination number, and permeability, the study shows that the reconstructed images(RI) from most samples maintain a trend similar to that of the training images(TI), demonstrating the good applicability and reliability of the SNESIM algorithm in pore structure reconstruction. However, the core slices used in this study were all taken from the same core. Effectively transferring the pore structures from the 2D plane to the 3D pore space and restoring the pore structures to the greatest extent still requires further research. In particular, when dealing with complex pore structures, the accuracy and performance of the SNESIM algorithm need further improvement. Future research will focus on optimizing the algorithm to handle more diverse pore structures and exploring 3D reconstruction methods to more comprehensively describe and analyze the pore characteristics in actual porous media.
Hexokinase-I directly binds to a charged membrane-buried glutamate of mitochondrial VDAC1 and VDAC2
Authors: Bieker Sebastian , Timme Michael , Woge Nils , Hassan Dina G. , Brown Chelsea M. , Marrink Siewert J. , Melo Manuel N. , Holthuis Joost C. M.
Published: February 2025

Binding of hexokinase HKI to mitochondrial voltage-dependent anion channels (VDACs) has far-reaching physiological implications. However, the structural basis of this interaction is unclear. Combining computer simulations with experiments in cells, we here show that complex assembly relies on intimate contacts between the N-terminal α-helix of HKI and a charged membrane-buried glutamate on the outer wall of VDAC1 and VDAC2. Protonation of this residue blocks complex formation in silico while acidification of the cytosol causes a reversable release of HKI from mitochondria. Membrane insertion of HKI occurs adjacent to the bilayer-facing glutamate where a pair of polar channel residues mediates a marked thinning of the cytosolic leaflet. Disrupting the membrane thinning capacity of VDAC1 dramatically impairs its ability to bind HKI in silico and in cells. Our data reveal key topological and mechanistic insights into HKI-VDAC complex assembly that may benefit the development of therapeutics to counter pathogenic imbalances in this process.
Social disparities in neighborhood flood exposure in 44,698 urban neighborhoods in Latin America
Authors: Kephart Josiah L. , Bilal Usama , Gouveia Nelson , Sarmiento Olga Lucia , Shingara Emily , Rangel Moreno Karla , Bakhtsiyarava Maryia , Rodriguez Juan Pablo , Ayala Salvador , Carrasco-Escobar Gabriel , Diez Roux Ana V. ,   the SALURBAL Group
Published: February 2025

Climate change is expected to greatly increase exposure to flooding, particularly among urban populations in low- and middle-income countries. Here we used daily flood data (2000–2018) to describe socioeconomic disparities in flooding on the basis of neighborhood educational attainment, comparing disparities across and within cities. We used multilevel models to examine disparities in area flooding by city- and neighborhood-level factors, including 44,698 neighborhoods in 276 cities from eight countries with a total of 223 million residents and 117 distinct flood events. One in 4 of residents of neighborhoods in the lowest quintile of educational attainment were exposed to flooding, compared with 1 in 20 residents of neighborhoods in the highest quintile of educational attainment. Neighborhoods experiencing more flooding included those with lower educational attainment, that were coastal, less dense, further from the city center and greener, and that had steeper slopes. We show large social disparities in neighborhood flooding within Latin American cities. Policymakers must prioritize flood adaptation and recovery efforts in neighborhoods with lower socioeconomic status.
Qualitative and quantitative analysis of metronidazole formulations using a low-cost near infrared transmission spectrophotometer and chemometric tools
Authors: Yabré Moussa , Sakira Abdoul Karim , Bandé Moumouni , Delma Kouka Luc , Nyamba Isaïe , Yemoa Loconon Y. Achille , Fofana Souleymane , Somé Touridomon Issa
Published: February 2025

This work evaluates the use of a low-cost transmission near-infrared spectrophotometer as a first line qualitative and quantitative screening tool for the detection of falsified and substandard drugs in developing countries.
Effects of doping on anti-phase boundaries and the magnetic properties of the D03 structure in high silicon steel: first-principles insights
Authors: Sun Meng , Li Linxian , Song Hongyu , Tang Shuai , Peng Qing , Shen Guichang , Xie Tianwei , Tan Fengliang , Liu Zhenyu
Published: February 2025

Doping alloy elements can reduce the anti-phase boundary energy in the D03 ordered structure, presenting a novel strategy to improve the plasticity of high silicon steel.
pH-dependent reactivity of water at MgO(100) and MgO(111) surfaces
Authors: Adhikari Narendra M. , Zarzycki Piotr , Wang Zheming , Rosso Kevin M.
Published: February 2025

vSFG spectroscopy shows that water dipole reorientation occurs at the interface due to the charge reversal at the MgO(100) and (111) surfaces at the pH above and below PZC ∼ pH 12.
The synergic effect of neutral organophosphorus ligands combined with acidic β-diketones for the extraction and separation of trivalent actinides
Authors: Holiski Connor K. , Mastren Tara , Shusterman Jennifer A.
Published: February 2025

Investigating the extraction and separation behavior of americium and curium using synergic dual-ligand solvent extraction systems and their conversion to novel extraction chromatographic resins.
Differentiating the origins of local charge transfer in oxides and hybrid halides by accumulating charge
Authors: Wang Chenxi , Sriboriboon Panithan , Kwon Owoong , Lee Seo-Ryeong , Song Myeong Seop , Lee Jin-Wook , Chae Seung Chul , Kim Yunseok
Published: February 2025

Utilizing the local dynamic charge behaviors, the authors unveiled distinctive origins of various local charge behaviors in oxides and hybrid halides by highly sensitive accumulative charge spectroscopy.
The effect of on-site and inter-site Hubbard correction in the thermoelectric properties of quaternary Heusler alloys NaHfXSn (X = Co, Rh, Ir): a first-principles study
Authors: Zosiamliana R. , Celestine L. , Gurung Shivraj , Devi Y. Rangeela , Singh Ningthoujam Surajkumar , Yvaz A. , Laref A. , Rai D. P.
Published: February 2025

The Hubbard-corrected density functional theory (DFT) has been shown to effectively mitigate self-interaction errors in studying the properties of various materials.
Synthesis and sulfide oxidation catalytic activity of a copper monosubstituted Keggin-type polyoxometalate-based supramolecular compound
Authors: Zhang Yixuan , Zhu Maochun , Liu Yifei , Bai Xue , Zhang Ange , Yang Yanli , Li Bin , Liu Shuxia
Published: February 2025

A copper monosubstituted Keggin-type polyoxometalate-based hybrid was synthesized. It is capable of efficiently catalyzing the oxidation of a wide range of sulfides.
Alternate InP synthesis with aminophosphines: solution–liquid–solid nanowire growth
Authors: Larson Helen C. , Lin Zhixing , Baneyx François , Cossairt Brandi M.
Published: February 2025

Colloidal synthesis of InP nanowires is reported using aminophosphine and weakly-bound indium-ligand complexes, producing nanoribbons and nanowires. The aminophosphine is proposed to reduce indium for self-seeded solution–liquid–solid growth.
Synthesis, structure and magnetic properties of ACo5(SeO3)4(OH)2F (A = Rb, Cs): the first compounds with a distorted 2-uniform lattice (T29)
Authors: Zhang Wenhao , Cui Meiyan , Zhao Zhiying , Zhu Tianyu , He Zhangzhen
Published: February 2025

Two new compounds ACo5(SeO3)4(OH)2F (A = Rb, Cs) were synthesized by introducing F−, exhibiting a distorted 2-uniform T29 lattice.
Insights into facile methane activation by a spin forbidden reaction with Ta+ ions in the gas phase
Authors: Liu Yang , Ončák Milan , Lewis Tucker W. R. , Meta Marcel , Ard Shaun G. , Shuman Nicholas S. , Meyer Jennifer , Viggiano Albert A. , Guo Hua
Published: February 2025

Methane is facilely activated by gas phase tantalum cations via a spin-forbidden process leading to statistical product energy disposal.
A monoclinic crystal structure and a reusable stress-controlled optoelectronic switch in a lead halide perovskite, CsPbBr3
Authors: Morozova Natalia V. , Zhevstovskikh Irina V. , Korobeinikov Igor V. , Sarychev Maksim N. , Semenova Olga I. , Sukhikh Taisiya S. , Ovsyannikov Sergey V.
Published: February 2025

A reusable well-operating stress-controlled optoelectronic switch, based on a phase transition, has been experimentally revealed in CsPbBr3 single crystals.
Enzymatic properties of iron oxide nanoclusters and their application as a colorimetric glucose detection probe
Authors: Bae Dahyun , Kim Minhee , Choi Jin-sil
Published: February 2025

Various factors affect the enzymatic activity of iron oxide nanoclusters (IOCs). The formation of smaller unit nanoparticles is crucial, as their presence increases IOC size and influences enzymatic activity.
Photoredox-catalyzed deoxygenative radical transformation of alcohols to sulfinamides
Authors: Zhu Xinyu , Wu Junliang , Zhang Junliang , Yang Junfeng
Published: February 2025

Sulfinamides play a crucial role in organic synthesis and pharmaceuticals.
Correction: Atomically dispersed cobalt on graphitic carbon nitride as a robust catalyst for selective oxidation of ethylbenzene by peroxymonosulfate
Authors: Li Jiaquan , Zhao Shiyong , Yang Shi-Ze , Wang Shaobin , Sun Hongqi , Jiang San Ping , Johannessen Bernt , Liu Shaomin
Published: February 2025

Correction for ‘Atomically dispersed cobalt on graphitic carbon nitride as a robust catalyst for selective oxidation of ethylbenzene by peroxymonosulfate’ by Jiaquan Li et al., J. Mater. Chem. A, 2021, 9, 3029–3035, https://doi.org/10.1039/D0TA11503G.
The Compton-thick active galactic nuclei luminosity function in the local Universe. A robust estimate combining Burst Alert Telescope detections and NuSTAR spectra
Authors: Georgantopoulos I. , Pouliasis E. , Ruiz A. , Akylas A.
Published: February 2025

Compton-thick active galactic nuclei (AGN) arguably constitute the most elusive class of sources, as they are absorbed by large column densities above rm 10^ cm^ . These extreme absorptions hamper the detection of the central source even in hard X-ray energies. In this work, we use both and observations to derive the most accurate yet Compton-thick AGN luminosity function. We first compiled a sample of candidate Compton-thick AGN (rm cm^ ) detected in the Swift Burst Alert Telescope (BAT) all-sky survey in the 14-195 keV band. We confirmed that they are Compton-thick sources by using the follow-up observations already presented in the literature. Our sample is composed of 44 sources, consistent with a column density of rm cm^ at the 90% confidence level. These sources have intrinsic luminosities higher than rm L_ 10-50keV ∼ 3 erg s^ and are found up to a redshift of z=0.05 (≈200 Mpc). We derived the luminosity function of Compton-thick AGN using a Bayesian methodology where both the full column density and the luminosity distributions are taken into account. The faint end of the luminosity function is flat, having a slope of γ_1=0.01^ rather arguing against a numerous population of low luminosity Compton-thick AGN. Based on our luminosity function, we estimate that the fraction of Compton-thick AGN relative to the total number of AGN is of the order of 24±5%, which is in agreement with previous estimates in the local Universe based on BAT samples.
Perturbations in PDE-constrained optimal control decay exponentially in space
Authors: Göttlich Simone , Schaller Manuel , Worthmann Karl
Published: February 2025

For linear-quadratic optimal control problems (OCPs) governed by elliptic and parabolic partial differential equations, we investigate the impact of perturbations on optimal solutions. Local perturbations may occur, e.g., due to discretization of the optimality system or disturbed problem data. Whereas these perturbations may exhibit global effects in the uncontrolled case, we prove that the ramifications are exponentially damped in space under stabilizability and detectability conditions. To this end, we prove a bound on the optimality condition’s solution operator that is uniform in the domain size. Then, this uniformity is used in a scaling argument to show the exponential decay of perturbations in space. We numerically validate and illustrate our results by solving OCPs involving Helmholtz, Poisson, and advection-diffusion-reaction equations.
Messung des HbA1c am Point-of-Care – klinische und praktische Aspekte
Authors: Schubert-Olesen Oliver , Niederau Christoph , Dänschel Ingrid , Müller-Wieland Dirk , Wiesner Tobias
Published: February 2025

Der HbA1c-Wert ist für die Diagnostik und Verlaufskontrolle des Diabetes ein wertvoller Parameter, da er den glykämischen Status der letzten Wochen widerspiegelt und hohe klinisch-prognostische Relevanz besitzt. Die Messung dieses Biomarkers am Point-of-Care (POC) hat für Arztpraxen und Menschen mit Diabetes aufgrund der einfachen und schnellen Durchführung wichtige Vorteile gegenüber der Bestimmung über externe Labore. Zum einen können Arbeitsabläufe mit der Methodik effizienter gestaltet werden, was insbesondere im Kontext häufig überlasteter Praxiskapazitäten an Bedeutung gewinnt, und zum anderen kann die Patientenzufriedenheit sowie die therapeutische Adhärenz gesteigert werden. Darüber hinaus zeigen Qualitätsdaten, dass einige Geräte zur patientennahen Sofortdiagnostik klinisch-praktisch relevante Anforderungen erfüllen und eine dem Labor entsprechende Messqualität liefern, die internationalen Standards gerecht wird. Die über diese Standards hinausgehenden Qualitätskriterien der aktuellen Richtlinie der Bundesärztekammer zur Qualitätssicherung laboratoriumsmedizinischer Untersuchungen (Rili-BÄK) stellen an alle Systeme erhöhte Anforderungen, welche die analytische Güte einerseits fördern aber andererseits zu einem Rückschritt in der diagnostischen Versorgung von Menschen mit Diabetes führen könnten. Die in einer Laborreform vorgesehene Reduktion der Vergütung für die diagnostische Leistung bei der HbA1c-Bestimmung dürfte diese Situation weiter prägen.
Wie viel Notarzt brauchen wir? Eine retrospektive Analyse der Notarzt-Notwendigkeit anhand der NUN-Algorithmen
Authors: Brauckmann Vesta , Böttcher Christian , Flemming Andreas , Riecke Torben , Omar Mohamed , Macke Christian
Published: February 2025

Die kontinuierlich steigende Anzahl von Rettungsdiensteinsätzen und
Notarztalarmierungen in Deutschland steht im Kontrast zu einem Mangel an Notärzten.
Die Verbesserung der Ausbildung von Notfallsanitätern in Deutschland spiegelt sich
in den beruflichen Vorschriften und operativen Algorithmen wider. Folglich ist die
Frage nach einer möglichen Überbeanspruchung von Notärzten Gegenstand kontroverser
Diskussionen.

Ziel der Studie war zu analysieren, welche Notfalleinsätze ausschließlich von
Notfallsanitätern (NFS) ohne Notwendigkeit eines Notarztes (NA) durchgeführt werden
könnten, basierend auf den bereits vorhandenen Regelungen. Ein sekundäres Ziel war
die qualitative Bewertung basierend auf dem (M)-NACA-Score.

Retrospektive Analyse aller Rettungsdienste im Jahr 2019 eines
Rettungshubschraubers (RTH) und eines bodengebundenen Notarzteinsatzfahrzeugs (NEF),
die mit Personal eines Maximalversorgers in Niedersachsen besetzt waren. Die
DIVI-Notarztprotokolle wurden überprüft, um Daten zu sammeln, und weiter
kategorisiert. Es erfolgte entweder die Einteilung in die NFS-Gruppe, basierend auf
dem M-NACA-Score und den für das Jahr 2019 geltenden NUN-Algorithmen, oder in die
NA-Gruppe.

Die Gesamteinsätze beider Rettungsmittel beliefen sich im Kalenderjahr 2019 auf
n = 4123. 57,9% hätten ausschließlich von Notfallsanitätern unter Verwendung des
NUN-Algorithmus durchgeführt werden können. Unter Berücksichtigung des NACA-Scores
wurde bei über der Hälfte der verbleibenden NA-Gruppe, ein NACA-Score von I–III
festgestellt. Nur 18,5% aller Einsätze wurden retrospektiv als absolute Indikation
für einen NA angesehen (NEF 15,2%; RTH 25,5%).

Im Rahmen dieser Studie konnte gezeigt werden, dass ein Großteil der als primär
notarztindiziert disponierten Rettungseinsätze durch Notfallsanitäter allein
übernommen werden könnten. Die derzeitigen Regelungen scheinen auf unterschiedlichen
Ebenen praktisch unzureichend umgesetzt zu sein, um eine Optimierung im
präklinischen Umfeld zu erreichen und bereits vorhandene Kompetenzen von
Notfallsanitätern zu nutzen.
A Rare Case Report of the Coexistence of Ipsilateral Burst Frontal Lobe, Acute-on-Chronic Subdural Hematoma, and Extradural Hematoma: Rarest in Occurrence
Authors: Agali Chetan Kumar
Published: February 2025

Burst frontal lobe or frontal lobe contusion is commonly seen in road traffic accidents (RTA) or assault. Chronic subdural hematomas are seen in elderly patients with history of nonsteroidal anti-inflammatory drugs use, chronic alcohol intake, and antithrombotic and/or anticoagulant therapy. Extradural and acute subdural hematomas are often seen in young patients following RTA or trauma. The coexistence of all the above-mentioned conditions, that is, lobar contusion, acute-on-chronic subdural hematoma (SDH), and acute extradural hematoma (EDH), in a patient is rare. Based on the Glasgow Coma Scale and imaging findings, early surgical intervention was planned in our patient. Early surgical evacuation of contusion, acute-on-chronic SDH, and EDH, as was done in our patient, will lead to early recovery. Avoiding alcohol intake and use of helmets while riding motorcycles will lead to reduction of such RTA in future.
A Borel–Pompeiu formula in a (q,q′)-model of quaternionic analysis
Authors: González-Cervantes José Oscar , Bory-Reyes Juan , Sabadini Irene
Published: February 2025

The study of ψ−hyperholomorphic functions defined on domains in R4 with values in H, namely null-solutions of the ψ−Fueter operator, is a topic which captured great interest in quaternionic analysis. In the setting of (q,q′)−calculus, also known as post quantum calculus, we introduce a deformation of the ψ−Fueter operator written in terms of suitable difference operators, which reduces to a deformed q calculus when q′=1. We also prove the Stokes and Borel–Pompeiu formulas in this context. To the best of our knowledge this work is the first investigation of results in quaternionic analysis in the setting of the (q,q′)−calculus theory.
Nonlinear solitary wave parallel propagation and particle dynamics in a cold, collision-free, magnetized plasma in the presence of dust
Authors: Causa F. , Allen J. E. , Iqbal Z.
Published: February 2025

Dust plays a key role in solitary wave propagation in a plasma, giving rise to slow waves and a variety of interesting features dependent on dust mass and charge. To simplify the analysis, based on the Adlam–Allen method, two cases are studied here, those of heavy dust and ion–dust coupling, retaining the dynamics of both. The main result is that resonant conditions corresponding to well-localized circularly polarized solutions exist for any value of the relative dust density, in both cases. Scaled resonance conditions were derived in both cases, for varying dust mass and charge, as functions of the relative density. Characteristic fields, particle density, and particle velocity calculated at resonance were presented in both regimes of interest, for the representative case of a hydrogen plasma. Further solutions are obtained corresponding to unconventional particle oscillations, presenting equally unconventional electric field profiles or magnetic field polarization, to be studied and pursued in greater detail in dedicated work.
Reservoir computing approaches to unsupervised concept drift detection in dynamical systems
Authors: Thorne Braden J. , Corrêa Débora C. , Zaitouny Ayham , Small Michael , Jüngling Thomas
Published: February 2025

While the assumption that dynamical systems are stationary is common for modeling purposes, in reality, this is rarely the case. Rather, these systems can change over time, a phenomenon referred to as concept drift in the modeling community. While there exist numerous statistics-based methods for concept drift detection on stochastic processes, approaches leveraging nonlinear time series analysis (NTSA) are rarer but seeing increased focus in cases where the processes are deterministic. In this work, we propose a novel approach to unsupervised concept drift detection in dynamical systems utilizing the embedding offered by a reservoir computing (RC) model. This approach is inspired by the performance of RC on supervised classification tasks that indicates a strong ability to characterize dynamical systems. We assess this method on a number of synthetic drifting data streams from dynamical systems as well as an experimental case concerning faulty ball bearing. Our results suggest that the RC based methods are able to generally outperform the existing NTSA methods across the test cases. We conclude our work with some comments regarding real-time implementation and the impact of hyper-parameters on the proposed algorithm.
Impact of climate change on electricity consumption of urban residents in China: An empirical analysis based on annual urban panel data
Authors: Wang Yuanping , He Yu , Hu Lang , Su Xinyue , Hou Lingchun , Cai Weiguang , Sun Changhui , Fan Yueyue , Su Shaotong , Ma Weiwen
Published: February 2025

China is facing many challenges caused by climate change, and residential energy consumption is affected by climate change. This study investigates the response of residential electricity consumption to temperature change in different cities in China based on panel data from 278 prefecture-level cities from 2011 to 2019 using an extended stochastic impacts by regression on population, affluence, and technology model (extended STIRPAT model). The results of the study show that: (1) Urban residential electricity consumption (uec) is affected by temperature, and heating degree days (hdd) and cooling degree days (cdd) lead to an increase in electricity consumption, with impact coefficients of 0.132 and 0.154, respectively. (2) Due to the difference in economic development level, both hdd and cdd promote uec in the eastern region; hdd has a promoting effect on uec in the central region but has no significant effect on the western region. (3) Due to the differences in heating habits, uec in the northern and southern regions show different trends in response to temperature. The response to hot weather is more sensitive in the northern region, while the response to temperature in the southern region shows an irregular “U” shape. The results of this study aid decision makers in adjusting electricity supply and demand.
Structural, chemical, and electronic control in Co–SiNx granular metals for high-pass filter applications
Authors: Gilbert Simeon J. , McGarry Michael P. , Meyerson Melissa L. , Kotula Paul G. , Yates Luke , Ohlhausen James A. , Sharma Peter A. , Trofe Anthony , Siegal Michael P. , Biedermann Laura B.
Published: February 2025

Granular metals, consisting of nanoscale conducting and insulating regions, have been studied for more than 50 years for fundamental and applied research. Granular metals exhibit non-linear conductivity vs frequency behavior, consistent with the universal power law response, and have recently been suggested for high-pass filter applications. Here, we report that cobalt–silicon nitride (Co–SiNx) granular metals with optimized sputter conditions and post-growth annealing exhibit an exceptional 109 increase in conductivity at 1 MHz compared to the DC conductivity. The improved frequency response is correlated with structural and chemical improvements examined via scanning transmission electron microscopy and x-ray photoemission spectroscopy. While we focus on improvements for high-pass filter applications, the structural, chemical, and electronic control demonstrated here will benefit a variety of granular metal and nanoparticle applications.
Vortex-induced vibration control of 5:1 rectangular cylinder with an attached active splitter plate based on open-loop control method
Authors: Zhao Lin , Wang Zilong , Fang Genshen , Cui Wei , Li Ke , Ge Yaojun
Published: February 2025

Vortex-induced vibration (VIV) is a key issue in rectangular cylinder. The splitter plate with a specific length is often mounted behind the bluff body to suppress VIV. However, the still splitter plate is usually unable to completely eliminate VIV. In this study, the splitter plate that can actively vibrate at a certain frequency and amplitude is introduced, and an open-loop control motion equation is established. Computational fluid dynamics numerical simulations were conducted under different control parameters to obtain VIV response, surface wind pressure distribution, and flow field information. The changes in wind pressure distribution under different control parameters were further compared. At the same time, the dynamic mode decomposition method is used to compare the flow field mode evolution and energy distribution under various vibration states of splitter plate to explain the reason why the VIV is suppressed. The results show that the active splitter plate can reduce the fluctuating wind pressure on the structure's surface and suppress or even completely eliminate VIV by introducing new flow modes. The vibration suppression effect is related to the frequency ratio and amplitude. A larger frequency ratio and amplitude can effectively eliminate VIV.
Dynamic response of recombining detached plasma to electron beam injection
Authors: Tanaka Hirohiko , Kajita Shin , Kaizawa Hideki , Ohno Noriyasu
Published: February 2025

Dynamic response of recombining detached helium plasma to high-energy electrons was investigated in the linear plasma device NAGDIS-II by introducing an electron beam source. A square wave bias was applied to the tungsten electrode to generate a pulsed electron beam with controlled beam energy. At high beam energy condition, a large increase in the target ion flux and different-shape time evolutions between emissions from low- and high-excited states were observed. From the analysis using a collisional radiative code applicable to two electron temperature components, qualitative changes were explained by contributions due to the excitation process from the ground state by the electron beam and the volume recombination process due to the parameter change of bulk plasma.
Strong interface coupling for enhanced photoresponse in 1D BiInSe/2D WSe2 phototransistor
Authors: Liu Shuo , Zhou Xinyun , Wu Wanglong , Yang Junda , Ma Ruiying , Yuan Le , Xia Qinglin , Zhong Mianzeng , He Jun
Published: February 2025

With the improvement of heterostructure preparation technology, research on the physical properties and device performance of mixed-dimensional heterostructures has been greatly developed. Numerous studies have focused on 2D/2D heterostructures, but research on 1D/2D heterostructures is comparatively limited, and the interface electron transfer mechanism needs to be further explored. In this study, we leverage the inherent band structure alignment characteristics of 1D Bi1.3In0.7Se3 and 2D WSe2 to create Bi1.3In0.7Se3/WSe2 heterostructure with Type-I band alignment. The results of PL, Raman, and KPFM prove the existence of a strong coupling effect at the heterostructure interface. The Bi1.3In0.7Se3 nanowire enhances the PL intensity and red-shifts the PL peaks of WSe2. This strong local electric field at the heterojunction interface improves the photoresponse performance of the Bi1.3In0.7Se3/WSe2 heterostructures devices. They achieve excellent photoresponce properties in a wide spectral range from solar-blind ultraviolet C (254 nm) to near-infrared (980 nm) region, with a large responsivity of 98 A/W, a high detectivity of 1.16 × 1013 Jones, and a fast photoresponse time of 500 μs. In addition, the optoelectronic performance of the device is controlled by modulating the Fermi level of the heterostructure by the applied gate electric field. Our work paves the way for the development of 1D/2D heterostructures for multifunctional optoelectronic applications.
3 kV fully vertical β-Ga2O3 junction termination extension Schottky barrier diode with sputtered p-GaN
Authors: Chang Qingyuan , Hou Bin , Yang Ling , Jia Mao , Zhu Youjun , Wu Mei , Zhang Meng , Zhu Qing , Lu Hao , Xu Jiarui , Shi Chunzhou , Du Jiale , Yu Qian , Li Mengdi , Zou Xu , Sun Haolun , Ma Xiaohua , Hao Yue
Published: February 2025

In this work, we present the fabrication of a fully vertical β-Ga2O3 Schottky barrier diode with junction termination extension (JTE-SBD) utilizing a p-GaN layer produced by sputtering, offering a solution to the absence of p-Ga2O3 materials. The p-GaN/n-Ga2O3 JTE-SBD demonstrates a turn-on voltage (Von) of 0.8 V, a specific on-resistance (Ron,sp) of 6.15 mΩ·cm2, an ideality factor (n) of 1.24, a breakdown voltage of 3 kV, and a Baliga's Figure of Merit of 1.46 GW/cm2. The current–voltage–temperature (I–V–T) testing has confirmed a transition in the dominant leakage mechanisms from the Poole–Frenkel mechanism to variable-range hopping.
Enhancing interfacial thermal transport by nanostructures: Monte Carlo simulations with ab initio phonon properties
Authors: Luo Wenzhu , Wang Neng , Lian Wenlei , Yin Ershuai , Li Qiang
Published: February 2025

Recent experiments have indicated that employing nanostructures can enhance interfacial heat transport, but the mechanism by which different structural morphologies and dimensions contribute to the full-spectrum phonon interfacial transport remains unclear. In this paper, a multiscale method to study the thermal transfer at nanostructured interfaces is developed by combining the density functional calculation, Monte Carlo simulation, and diffuse mismatch method. The changes in the transport paths and contributions to the thermal conductance of different frequency phonons caused by the changes in the nanostructure morphology and size are investigated. The results show that, compared to the triangular and trapezoidal nanostructures, rectangular nanostructures are more beneficial in enhancing the probability of the reflected phonons encountering the interface and, thus, the phonon interfacial transmittance. The nanostructure makes the interfacial heat flow extremely heterogeneous, with significant transverse heat flow occurring at the sidewalls, resulting in a new thermal conduction pathway. The phenomena of multiple reflections and double transmission together lead to the existence of the optimal dimension that maximizes the nanostructure’s enhancement effect on interfacial heat transfer. The optimal nanostructure width is 100 nm when the height is 100 nm and the maximum interfacial thermal conductance enhancement ratio is 1.31. These results can guide the design of heat transfer enhancement structures at the interface of the actual high-power chips.
N-body plasma simulation of classical and Bohm diffusion employing Kepler's analytical solutions
Authors: Nishimura Y.
Published: February 2025

A numerical approach to the simulation of two- and three-dimensional self-consistent N-body charged-particle dynamics is developed employing analytical solutions, with Kepler's laws of planetary motion being applied to close encounters of two particles. In the presence of a uniform magnetic field, in a quiet homogeneous plasma without microscopic instabilities, the diffusion process of electrons induced by Coulomb collisions is investigated. With an accurate treatment of binary collisions, it is found that the numerically computed electron diffusion rates match quantitatively with the results of an analytical approach that incorporates individual scattering angles into the random step size. In two dimensions, it is found that the diffusion coefficient Dei,class is inversely proportional to the square of the magnetic field strength B0: Dei,class∝1/B02. When the collision frequency becomes comparable to the electron cyclotron frequency, Bohm diffusion Dei,Bohm∝1/B0 is obtained. The diffusion rate according to the N-body simulation is consistently higher than that expected when only electron–ion collisions are considered, which suggests that electron–electron collisions play roles in enhancing electron transport. Relaxation of electron distribution function is demonstrated by preliminary three-dimensional N-body simulations.
Design guidelines for Si metal–oxide–semiconductor and Si/SiGe heterostructure quantum dots for spin qubits
Authors: Li Yu-Cheng , Chang Che-Hao , Wu Yu-Jui , Liao Chen-Yao , Li Jiun-Yun
Published: February 2025

Si-based spin qubits are promising due to their long decoherence time and the compatibility with state-of-the-art semiconductor technology and have been demonstrated using quantum dots (QDs) to host single electrons for spin manipulation. In this work, we simulate the electrostatics and quantum transport properties of quantum dots on a Si metal–oxide–semiconductor platform and a Si/SiGe heterostructure. We investigate the effects of gate configurations and the SiGe spacer thickness on device characteristics, such as gate capacitances, Coulomb blockade, and charge stability. For a single quantum dot, placing its barrier gates (BGs) under the plunger gate improves the charge stability, while swapping the positions of those gates reduces the effects of the barrier gate biases on the charge stability. A thicker SiGe spacer further suppresses the effects of the barrier gate biases on the charge stability for quantum dots on the Si/SiGe heterostructure but leads to stronger crosstalk between neighboring quantum dots. Wider barrier gates can help to mitigate the crosstalk effects for multiple quantum dots. These findings provide key insights into the optimization of the gate configurations and material selection to improve the charge stability and minimize the crosstalk by different gates for future development of scalable Si-based quantum dots.
Unveiling nucleosome dynamics: A comparative study using all-atom and coarse-grained simulations enhanced by principal component analysis
Authors: Ghosh Moulick Abhik , Patel Rutika , Onyema Augustine , Loverde Sharon M.
Published: February 2025

The conformational dynamics of the DNA in the nucleosome may play a role in governing gene regulation and accessibility and impact higher-order chromatin structure. This study investigates nucleosome dynamics using both all-atom and coarse-grained (CG) molecular dynamics simulations, focusing on the SIRAH force field. Simulations are performed for two nucleosomal DNA sequences—alpha satellite palindromic and Widom-601—over 6 μs at physiological salt concentrations. A comparative analysis of structural parameters, such as groove widths and base pair geometries, reveals good agreement between atomistic and CG models, although CG simulations exhibit broader conformational sampling and greater breathing motion of DNA ends. Principal component analysis is applied to DNA structural parameters, revealing multiple free energy minima, especially in CG simulations. These findings highlight the potential of the SIRAH CG force field for studying large-scale nucleosome dynamics, offering insights into DNA repositioning and sequence-dependent behavior.
Size dependence of the ion pairing preferences investigated by free energy calculations
Authors: Pan Dan , Li Rui , Yang Xiao , Yang Xiaoning , Xu Zhijun
Published: February 2025

We calculate pairing free energies for a series of model monovalent ion pairs with equal sizes spanning a large radius range in the aqueous solution. Thermodynamic analysis reveals that the ion pairing strength displays an initial decrease in a nearly linear fashion followed by a significant enhancement at a relatively slower rate as the ion size gradually increases, resulting in the weakest pairing preference for ions with intermediate size. The free energy decomposition illustrates that the ion pairing is jointly governed by a delicate balance of the favorable ion–ion interaction term and the repulsive solvent-induced contribution, with their compensation leading to a small pairing free energy. The dependence of this substantial compensation on the ion size actually dominates the ion pairing strength and the magnitude of the free energy, which accounts for the occurrence of the less association between the intermediate-size ions. Estimation of van der Waals and electrostatic free energies highlights the importance of attractive dispersion forces in determining the shape of the potential of mean force, specifically for large ions with less favorable interaction with water molecules than the water–water interactions. In addition, the effect of varying the cation size on the decreased pairing preference surpasses that of altering the anion size. Our study significantly enhances our understanding of the empirical rule of matching ion size for predicting ion pairing preferences in aqueous solutions.
The role of functionalization in the translocation of peptides through multilayer graphene nanopores
Authors: Suresh Hareesh , Haridasan Navaneeth , Varghese Binu , Sathian Sarith P.
Published: February 2025

The rapid translocation speed of peptides through graphene nanopores poses a challenge, hindering the accurate sensing of the biomarkers. Employing the functionalized graphene nanopores is at the forefront of reducing the translocation speed. The current work details the translocation of a negatively charged peptide endothelin-1 through a bare multilayer graphene nanopore, a hydrogen-functionalized graphene nanopore, and a hydroxyl-functionalized graphene nanopore by applying electric fields. The hydroxyl-functionalized graphene nanopore significantly reduces the peptide’s translocation speed. The time required for the peptide to translocate through the hydroxyl-functionalized graphene nanopore is 2.25 times longer than in the non-functionalized graphene nanopore and 1.25 times longer than in the hydrogen-functionalized graphene nanopore. We critically analyze the factors influencing the reduced translocation speed, including the interactions between the pore and the peptide, the conformational changes of the peptide within the pore, the solvent velocity inside the pore, and the solvent’s viscosity near the peptide. The altered solvent velocities within functionalized pores have a minimal role in the speed reduction of peptides. When a constant force is applied to the peptide without any electric field, the hydroxyl-functionalized graphene nanopore delivers the lowest diffusion rate. The persistence time, which serves as a measure of the solvent viscosity near the peptide, is the highest within the hydroxyl-functionalized pore. Finally, we conclude that the Coulombic interactions between the peptide and the pore play a major role in its speed reduction inside the hydroxyl-functionalized graphene nanopore.
Liouvillian solutions of the Klein–Gordon equation on D-dimensional de Sitter spacetime
Authors: Holder C. L.
Published: February 2025

We apply the well known Kovacic algorithm to generate Liouvillian (i.e., closed-form) solutions to the ordinary differential equation that governs the radial part of the separable, coupled to scalar curvature, massive scalar wave equation on a D-dimensional de Sitter background spacetime. The radial equation is simply related to the famous hypergeometric equation, and our work is carried out in this general setting. We find several families of infinite sets of special parameter values for which Liouvillian solutions exist, and we demonstrate how to generate these solutions recursively. The solutions are related to hypergeometric polynomials and in some cases can be constructed explicitly. For some of the families, the Liouvillian solutions exactly satisfy the boundary conditions for quasinormal modes, a fundamental set of damped, outgoing wave-functions that depend only on the background spacetime and scalar field parameters. In these families we obtain agreement with published results on the scalar quasinormal modes of the pure de Sitter spacetime. For other families, we establish conjectures regarding the factorization of the parameter constraints required for existence of Liouvillian solutions. Our results are consistent with published results on the hypergeometric equation and the well known Pöschl–Teller equation. Our new contributions are to demonstrate how to generate the hypergeometric Liouvillian solutions recursively, to completely solve the quasinormal mode problem with Liouvillian solutions, and to analyze the Liouvillian parameter constraints for the hypergeometric equation, including the case of the physical de Sitter parameters. This work contributes new knowledge to the fields of special functions and general relativity.