bluuebunny/crossref_metadata_2025 huggingface dataset:
Single-cell transcriptomics reveals that glial cells integrate homeostatic and circadian processes to drive sleep–wake cycles
Authors: Dopp Joana , Ortega Antonio , Davie Kristofer , Poovathingal Suresh , Baz El-Sayed , Liu Sha
Published: January 2024

The sleep–wake cycle is determined by circadian and sleep homeostatic processes. However, the molecular impact of these processes and their interaction in different brain cell populations are unknown. To fill this gap, we profiled the single-cell transcriptome of adult Drosophila brains across the sleep–wake cycle and four circadian times. We show cell type-specific transcriptomic changes, with glia displaying the largest variation. Glia are also among the few cell types whose gene expression correlates with both sleep homeostat and circadian clock. The sleep–wake cycle and sleep drive level affect the expression of clock gene regulators in glia, and disrupting clock genes specifically in glia impairs homeostatic sleep rebound after sleep deprivation. These findings provide a comprehensive view of the effects of sleep homeostatic and circadian processes on distinct cell types in an entire animal brain and reveal glia as an interaction site of these two processes to determine sleep–wake dynamics.
Resilient multi-agent RL: introducing DQ-RTS for distributed environments with data loss
Authors: Canese Lorenzo , Cardarilli Gian Carlo , Di Nunzio Luca , Fazzolari Rocco , Re Marco , Spanò Sergio
Published: January 2024

This paper proposes DQ-RTS, a novel decentralized Multi-Agent Reinforcement Learning algorithm designed to address challenges posed by non-ideal communication and a varying number of agents in distributed environments. DQ-RTS incorporates an optimized communication protocol to mitigate data loss between agents. A comparative analysis between DQ-RTS and its decentralized counterpart Q-RTS, or Q-learning for Real-Time Swarms, demonstrates the superior convergence speed of DQ-RTS, achieving a remarkable speed-up factor ranging from 1.6 to 2.7 in scenarios with non-ideal communication. Moreover, DQ-RTS exhibits robustness by maintaining performance even when the agent population fluctuates, making it well-suited for applications requiring adaptable agent numbers over time. Additionally, extensive experiments conducted on various benchmark tasks validate the scalability and effectiveness of DQ-RTS, further establishing its potential as a practical solution for resilient Multi-Agent Reinforcement Learning in dynamic distributed environments.
Physiological and biochemical variations of naturally ripened mango (Mangifera Indica L.) with synthetic calcium carbide and ethylene
Authors: Hussain Ashiq , Kausar Tusneem , Siddique Tahira , Kabir Khurram , An Qurat Ul , Rukhsar Farwa , Gorsi Faiza Iftikhar , Yaqub Shazia , Kauser Samina , Rehman Abdul , Najam Ayesha , Haroon Haseeb , Rafiu Agbaje , Korma Sameh A. , Mahdi Amer Ali
Published: January 2024

To meet the increasing consumer demands for fruits, the implementation of artificial ripening techniques using synthetic chemicals has become increasingly commonplace among less ethical fruit production companies in today’s global market. The objective of present work was to establish a difference in the physiological and biochemical and profiles of naturally ripened mangoes vs. those ripened by application of synthetic calcium carbide and ethylene. The application of calcium carbide at 10 g/kg mangoes resulted early ripening in 2 days, with a 3-day shelf life, as compared with 5 and 6 days, for mangoes ripened by ethylene and naturally, respectively. Higher levels of calcium carbide reduced moisture, fiber, protein and carbohydrates content and increased the ash content of mangoes, as compared to higher levels of ethylene, whereas in naturally ripened mangoes the content percentages were 80.21, 3.57, 3.05 6.27 and 4.74, respectively. Artificial ripening resulted in significant loss of ascorbic, citric and malic acid, as values were recorded 35.94, 2.12 and 0.63 mg/g, respectively, in mangoes ripened with 10 g/kg of calcium carbide. However, in naturally ripened mangoes the amounts of these acids were recorded significantly (p < 0.05) high as 52.29, 3.76 and 1.37 mg/g, respectively. There was an increase in total soluble solids (TSS) and reducing sugars, and a decrease in titratable acidity in calcium carbide (10 g/kg) treated mangoes. Elemental analyses revealed high levels of minerals in naturally ripened mangoes, with significant values of iron (0.45 mg/100 g), zinc (0.24 mg/100 g) and copper (0.17 mg/100 g). The organoleptic quality of the fruit decreased significantly (p < 0.05) as a result of the use of calcium carbide. Although use of artificial ripening techniques provides speedy ripening of mangoes, there are obvious limitations. Consequently, natural ripening should be promoted in order to have safer and more nutritious mangoes.
Benefits of statin therapy within a year after kidney transplantation
Authors: Yim Seung Hyuk , Kim Hyun Jeong , Ro Han , Ryu Jung-Hwa , Kim Myung-Gyu , Park Jae Berm , Kim Chan-Duck , Han Seungyeup , Lee Sik , Yang Jaesok , Huh Kyu Ha , Kim Myoung Soo , Lee Juhan
Published: January 2024

Cardiovascular disease remains a leading cause of morbidity and mortality after kidney transplantation (KT). Although statins reduce cardiovascular risk and have renal benefits in the general population, their effects on KT recipients are not well-established. We studied the effects of early statin use (within 1-year post-transplantation) on long-term outcomes in 714 KT recipients from the Korean cohort study for outcome in patients with KT. Compared with the control group, statin group recipients were significantly older, had a higher body mass index, and had a higher prevalence of diabetes mellitus. During a median follow-up of 85 months, 74 graft losses occurred (54 death-censored graft losses and 20 deaths). Early statin use was independently associated with lower mortality (hazard ratio, 0.280; 95% confidence interval 0.111–0.703) and lower death-censored graft loss (hazard ratio, 0.350; 95% confidence interval 0.198–0.616). Statin therapy significantly reduced low-density lipoprotein cholesterol levels but did not decrease the risk of major adverse cardiovascular events. Biopsy-proven rejection and graft renal function were not significantly different between statin and control groups. Our findings suggest that early statin use is an effective strategy for reducing low-density lipoprotein cholesterol and improving patient and graft survival after KT.
Sugars induced exfoliation of porous graphitic carbon nitride for efficient hydrogen evolution in photocatalytic water-splitting reaction
Authors: Baranowska Daria , Zielinkiewicz Klaudia , Mijowska Ewa , Zielinska Beata
Published: January 2024

Photocatalytic hydrogen evolution holds great promise for addressing critical energy and environmental challenges, making it an important area in scientific research. One of the most popular photocatalysts is graphitic carbon nitride (gCN), which has emerged as a noteworthy candidate for hydrogen generation through water splitting. However, ongoing research aims to enhance its properties for practical applications. Herein, we introduce a green approach for the fabrication of porous few-layered gCN with surface modifications (such as oxygen doping, carbon deposition, nitrogen defects) with promoted performance in the hydrogen evolution reaction. The fabrication process involves a one-step solvothermal treatment of bulk graphitic carbon nitride (bulk-gCN) in the presence of different sugars (glucose, sucrose, and fructose). Interestingly, the conducted time-dependent process revealed that porous gCN exfoliated in the presence of fructose at 180 °C for 6 h (fructose_6h) exhibits a remarkable 13-fold promotion of photocatalytic hydrogen evolution compared to bulk-gCN. The studied materials were extensively characterized by microscopic and spectroscopic techniques, allowing us to propose a reaction mechanism for hydrogen evolution during water-splitting over fructose_6h. Furthermore, the study highlights the potential of employing a facile and environmentally friendly fructose-assisted solvothermal process to improve the efficiency and stability of catalysts based on graphitic carbon nitride.
Structural insights into the activation mechanism of antimicrobial GBP1
Authors: Weismehl Marius , Chu Xiaofeng , Kutsch Miriam , Lauterjung Paul , Herrmann Christian , Kudryashev Misha , Daumke Oliver
Published: January 2024

The dynamin-related human guanylate-binding protein 1 (GBP1) mediates host defenses against microbial pathogens. Upon GTP binding and hydrolysis, auto-inhibited GBP1 monomers dimerize and assemble into soluble and membrane-bound oligomers, which are crucial for innate immune responses. How higher-order GBP1 oligomers are built from dimers, and how assembly is coordinated with nucleotide-dependent conformational changes, has remained elusive. Here, we present cryo-electron microscopy-based structural data of soluble and membrane-bound GBP1 oligomers, which show that GBP1 assembles in an outstretched dimeric conformation. We identify a surface-exposed helix in the large GTPase domain that contributes to the oligomerization interface, and we probe its nucleotide- and dimerization-dependent movements that facilitate the formation of an antimicrobial protein coat on a gram-negative bacterial pathogen. Our results reveal a sophisticated activation mechanism for GBP1, in which nucleotide-dependent structural changes coordinate dimerization, oligomerization, and membrane binding to allow encapsulation of pathogens within an antimicrobial protein coat.
Measurement of enzyme activity of insoluble substrates based on ordered porous layer interferometry and the application in evaluation of thrombolytic drugs
Authors: Su Qianqian , Sun Yu , Tang Yanhua , Ni Na , Ding Nian
Published: January 2024

In this study, a novel method capable of measuring enzyme activity of insoluble substrates was designed based on ordered porous layer interferometry (OPLI) technique, which shows advantages in the evaluation of thrombolytic drugs.
Green transformation of CO2 into γ-amino alcohols with continuous stereocenters
Authors: Zhang Qiuxin , Zhang Heng , Geng Senbai , Zhao Xian , Liu Shucheng , Hong Kun , Pan Jianming , Yan Xingchen
Published: January 2024

A copper-catalyzed asymmetric conjugate addition/CO2-trapping tandem reaction was developed, affording γ-amino alcohols with continuous stereocenters, and providing a green route for CO2 utilization.
A first-principles study of 2D single-layer SiP as anode materials for lithium-ion batteries and sodium-ion batteries
Authors: Xing Yingying , Cao Chihao , Huang Zhong , Huang Liang , Zhang Haijun , Jia Quanli
Published: January 2024

2D single-layer SiP as an anode material of LIBs and SIBs has a low diffusion energy barrier.
Soft X-ray absorption and fragmentation of tin-oxo cage photoresists
Authors: Haitjema Jarich , Castellanos Sonia , Lugier Olivier , Bespalov Ivan , Lindblad Rebecka , Timm Martin , Bülow Christine , Zamudio-Bayer Vicente , Lau J. Tobias , von Issendorff Bernd , Hoekstra Ronnie , Witte Katharina , Watts Benjamin , Schlathölter Thomas , Brouwer Albert M.
Published: January 2024

K-edge photoexcitation ofn-butyltin-oxo cage photoresist cores leads to (multiple) ionization and butyl group loss.
Electrical tree properties of grafted polypropylene studied by electro-luminescence and free radical excitation analysis
Authors: Zhang Yaru , Zhang Wenjia , Hu Shixun , Li Juan , Wang Mingti , Zhang Qi , Yuan Hao , Yang Changlong , Li Qi , He Jinliang
Published: January 2024

Secrets of Electrical trees in Polypropylene: By electro-luminescence and radical peering into the microcosm of grafted polypropylene, this study illuminates the mysterious electrical treeing behaviour.
Zinc hydride catalyzed hydroboration of esters
Authors: Patro A. Ganesh , Sahoo Rajata Kumar , Nembenna Sharanappa
Published: January 2024

The bis-guanidinate supported zinc hydride (I) catalyzes the hydroboration of a series of esters, yielding alkoxyboronate esters as products. Based on stoichiometric experiments, a plausible insertion/sigmabond metathesis mechanism has been proposed.
Upgrading AquaSolv Omni (AqSO) biorefinery: access to highly ethoxylated lignins in high yields through reactive extraction (REx)
Authors: Rigo Davide , Kohlhuber Nadine , Fliri Lukas , Diment Daryna , Cho Mijung , Sumerskii Ivan , Hummel Michael , Potthast Antje , Balakshin Mikhail
Published: January 2024

Ethanol-mediated reactive extraction is a green and simple process to simultaneously extract and functionalize lignin from wood. Ethoxy groups were incorporated in up to 40.8/100 Ar and the lignins were found suitable for adhesive formulations.
Programmable metachronal motion of closely packed magnetic artificial cilia
Authors: Wang Tongsheng , ul Islam Tanveer , Steur Erik , Homan Tess , Aggarwal Ishu , Onck Patrick R. , den Toonder Jaap M. J. , Wang Ye
Published: January 2024

Multi-material artificial cilia prove metachronal motion alone can generate substantial flow.
Theoretical insights into the enantiodivergence induced by chiral phosphoric acid catalysis with a Lewis acid for the synthesis of N–N axially chiral atropisomers
Authors: Li Yanze , Li Xinyao
Published: January 2024

A detailed theoretical mechanistic investigation on the enantiodivergence of chiral phosphoric acid-catalyzed Paal–Knorr reactions with/without a Lewis acid for the synthesis of N–N axially chiral atropisomers is described.
Machine learning methods for liquid crystal research: phases, textures, defects and physical properties
Authors: Piven Anastasiia , Darmoroz Darina , Skorb Ekaterina , Orlova Tetiana
Published: January 2024

A comprehensive review of machine learning perspectives for the analysis and prediction of macroscopic and molecular properties of liquid crystals.
Intramolecular dearomative 1,4-addition of silyl and germyl radicals to a phenyl moiety
Authors: Krämer Felix , Wenzel Jonas O. , Fernández Israel , Breher Frank
Published: January 2024

Ylide-functionalised radicals: Tetryl radicals 2Si and 2Ge can be generated by reduction of suitable ylide-functionalised precursors and undergo instant cyclization reaction with a phenyl moiety, which is rarely found in the case of germyl radicals.
Correction: Alkyl radicals from diacyl peroxides: metal-/base-/additive-free photocatalytic alkylation of N-heteroaromatics
Authors: Cheng Fukun , Fan Lulu , Lv Qiyan , Chen Xiaolan , Yu Bing
Published: January 2024

Correction for ‘Alkyl radicals from diacyl peroxides: metal-/base-/additive-free photocatalytic alkylation of N-heteroaromatics’ by Fukun Cheng et al., Green Chem., 2023, 25, 7971–7977, https://doi.org/10.1039/D3GC02545D.
Correction: Enhancing osteogenic differentiation of MC3T3-E1 cells during inflammation using UPPE/β-TCP/TTC composites via the Wnt/β-catenin pathway
Authors: Li Qi-lin , Wu Ya-xin , Zhang Yu-xiao , Mao Jing , Zhang Zhi-xing
Published: January 2024

Correction for ‘Enhancing osteogenic differentiation of MC3T3-E1 cells during inflammation using UPPE/β-TCP/TTC composites via the Wnt/β-catenin pathway’ by Qi-lin Li et al., RSC Adv., 2024, 14, 1527–1537, https://doi.org/10.1039/D3RA05529A.
Correction: Catalytic wet peroxide degradation of acrylonitrile wastewater by ordered mesoporous Ag/CeO2: synthesis, performance and kinetics
Authors: Zhao Guozheng , Liang Hui , Xu Hongzhu , Li Changbo , Tan Qingwei , Zhang Daihang
Published: January 2024

Correction for ‘Catalytic wet peroxide degradation of acrylonitrile wastewater by ordered mesoporous Ag/CeO2: synthesis, performance and kinetics’ by Guozheng Zhao et al., RSC Adv., 2021, 11, 15959–15968. DOI: https://doi.org/10.1039/D1RA01258D.
Self-Determination Theory Applications in Culturally Responsive Voice Therapy
Authors: Castro M. Eugenia , Enclade Hillary , Biel Michael
Published: January 2024

Purpose:

Voice is a cultural construct directly linked to identity. Given the degree of cultural diversity that exists, clinicians cannot be expected to comprehend the intricacies of every culture in their patient population. This observation emphasizes the necessity of a universal approach. Research suggests that self-determination theory (SDT) can serve this purpose. SDT is a macrotheory of human motivation and personality supported by over 4 decades of empirical research that focuses on innate, universal psychological processes and needs. The primary aim of this clinical focus article is to propose the application of SDT as an evidence-based framework to guide clinicians in the provision of culturally responsive voice care.

Conclusions:

When SDT is used as a framework, it allows clinicians to foster an environment that supports the patient's basic psychological needs while being mindful of cultural diversity. This approach leads to more autonomous forms of motivation, which has been shown to result in better outcomes in the domain of health behavior change, contributing to a more satisfying and meaningful intercultural therapeutic experience.
Adaptive integral sliding mode MPPT control for wind turbines with fixed‐time convergence
Authors: Chen Qi , Wang Lin , Sun Yong , Xie Shuzong , Wang Ruiliang
Published: January 2024

In the context of increasing renewable energy penetration and the imperative for efficient utilization, this paper explores the application of maximum power point tracking (MPPT) control for wind turbines. The objective is to optimize wind power generation by maximizing energy capture efficiency while addressing challenges associated with behind‐the‐meter renewables, load flexibility, and encouraging prosumers' participation. This paper proposes an adaptive integral sliding mode MPPT control strategy for wind turbines in the presence of external disturbance and model uncertainties. A new fixed‐time integral sliding mode manifold is constructed, such that the singularity problem can be avoided in the controller design without using any piecewise continuous functions. Then, an adaptive fixed‐time MPPT controller is developed to ensure that the tracking error can converge to a small neighbourhood around zero in fixed time, where the upper bound of the convergence time can be pre‐set based on actual engineering needs by selecting appropriate parameters. By designing update law, no prior knowledge on the upper bound of the lumped uncertainties is required anymore in advance. Stability analysis of the closed‐loop system is conducted using Lyapunov stability theory, and the effectiveness of the proposed strategy is validated through numerical simulations.
Emissions Reporting Maturity Model: supporting cities to leverage emissions-related processes through performance indicators and artificial intelligence
Authors: Xavier Victor de A. , França Felipe M.G. , Lima Priscila M.V.
Published: January 2024

Climate change and global warming have been trending topics worldwide since the Eco-92 conference. However, little progress has been made in reducing greenhouse gases (GHGs). The problems and challenges related to emissions are complex and require a concerted and comprehensive effort to address them. Emissions reporting is a critical component of GHG reduction policy and is therefore the focus of this work. It is crucial to improve the process efficiency of emissions reporting in order to achieve better emissions reduction results, as there is a direct link between effective emissions policies implemented by cities and emissions reduction (or increase) due to the effectiveness of these policies. Hence, to achieve this goal, this work proposes a series of steps to investigate, search and develop performance indicators (PIs) for emissions reporting. These performance indicators are based on the data provided by cities on the processes they go through to address emission problems. PIs can be used to guide and optimize the policies responsible for implementing emission reduction measures at the city level. Therefore, the main goal of this work is two-fold: (i) to propose an emission reporting evaluation model to leverage emissions reporting overall quality and (ii) to use artificial intelligence (AI) to support the initiatives that improve emissions reporting. Thus, this work presents an Emissions Reporting Maturity Model (ERMM) for examining, clustering, and analysing data from emissions reporting initiatives to help the cities to deal with climate change and global warming challenges. The model is built using Capability Maturity Model (CMM) concepts and uses artificial intelligence clustering technologies, performance indicator candidates and a qualitative analysis approach to find the data flow along the emissions-related processes implemented by cities. The Performance Indicator Development Process (PIDP) proposed in this work provides ways to leverage the quality of the available data necessary for the execution of the evaluations identified by the ERMM. Hence, the PIDP supports the preparation of the data from emissions-related databases, the classification of the data according to similarities highlighted by different clustering techniques, and the identification of performance indicator candidates, which are strengthened by a qualitative analysis of selected data samples. Thus, the main goal of ERRM is to evaluate and classify the cities regarding the emission reporting processes, pointing out the drawbacks and challenges faced by other cities from different contexts, and at the end to help them to leverage the underlying emissions-related processes and emissions mitigation initiatives.
Social Determinants of Health Are Associated with Failed Bowel Management for Children with Anorectal Malformations
Authors: Srinivas Shruthi , Knaus Maria E. , Campbell Drayson , Jimenez Alberta Negri , Griffin Kristine L. , Pendola Gabriella , Gasior Alessandra C. , Wood Richard J. , Halaweish Ihab
Published: January 2024

Introduction Children with anorectal malformations (ARMs) benefit from bowel management programs (BMPs) to manage constipation or fecal incontinence. We aimed to understand the role of social determinants of health (SDOH) in outcomes following BMPs in this population.

Materials and Methods A single-institution, institutional review board (IRB) approved, retrospective review was performed in children with ARM who underwent BMP from 2014 to 2021. Clinical, surgical, and SDOH data were collected. Children were stratified as clean or not clean per the Rome IV criteria at the completion of BMP. Descriptive statistics were computed. Categorical variables were analyzed via Fisher's exact tests and continuous variables with Mood's median tests.

Results In total, 239 patients who underwent BMP were identified; their median age was 6.62 years (interquartile range [IQR]: 4.78–9.83). Of these, 81 (34%) were not clean after completing BMP. Children with prior history of antegrade enema procedures had a higher rate of failure. Children who held public insurance, lived within driving distance, had unmarried parents, lived with extended family, and lacked formal support systems had a significant association with BMP failure (p < 0.05 for all). Type of ARM, age at repair, type of repair, age at BMP, and type of BMP regimen were not significantly associated with failure.

Conclusions There is a significant correlation of failure of BMPs with several SDOH elements in patients with ARM. Attention to SDOH may help identify high-risk patients in whom additional care may lead improved outcomes following BMP.
Multiparticle singlet states cannot be maximally entangled for the bipartitions
Authors: Bernards Fabian , Gühne Otfried
Published: January 2024

One way to explore multiparticle entanglement is to ask for maximal entanglement with respect to different bipartitions, leading to the notion of absolutely maximally entangled states or perfect tensors. A different path uses unitary invariance and symmetries, resulting in the concept of multiparticle singlet states. We show that these two concepts are incompatible in the sense that the space of pure multiparticle singlet states does not contain any state for which all partitions of two particles vs the rest are maximally entangled. This puts restrictions on the construction of quantum codes and contributes to discussions in the context of the anti-de Sitter/conformal field theory correspondence and quantum gravity.
An experimental investigation of the dynamic response of a liquid metal jet subjected to nanosecond laser ablation
Authors: Zhai Tianqi , Xu Chenghao , Chen Qisheng , Gao Lihao , Zhang Zhihan , Xu Cheng , Zhao Yibo , Deng Weiwei , Liu Yanchu
Published: January 2024

The dynamic response of a micrometer-sized gallium–indium (Ga-In) jet in nitrogen subjected to intense Neodymium-doped Yttrium Aluminum Garnet (Nd: YAG) laser pulses with energy ranging from 0.35 to 5.0 mJ per pulse is investigated experimentally. The rapid deformation of the jet was visualized using timed-delayed stroboscopic shadowgraphy. The laser pulse disrupts the jet to form a gap, and the length of the gap grows according to a logarithm relationship with respect to the dimensionless time normalized a characteristic timescale τ, which is determined by the pulse energy Ep. The ablation impulse bends and flattens the jet into a thin curved film that resembles a wind-blown sail. The area of the sail increases with t6/5Ep13/15, where t is time. The sail eventually breaks up into fine mist. Additionally, we found that the laser-blast-induced initial bending velocity of the jet could be predicted using the semi-empirical laser-ablated propulsion model for an In-Sn droplet of tens of micrometers.
Optical circuit compactification for ultracold atoms
Authors: Kondappan Manikandan , Ivannikov Valentin , Byrnes Tim
Published: January 2024

We develop a modular and compactified optical circuit for the generation of optical beams for cooling, imaging, and controlling ultracold atoms. One of the simplifications that is made in our circuit is to admix the repumping beams to each other optical beams in its dedicated single-mode fiber. We implement our design, characterize the output, and show that the optical power efficiency of the circuit is in the region of 97%, and after fiber coupling, the efficiencies are in the range of 62–85%. Given its compact design and controllable optical sources, this setup should be adaptable to a variety of quantum experiments based on ultracold gases.
Confinement effect of inter-arm interactions on glass formation in star polymer melts
Authors: Yang Zhenyue , Xu Xiaolei , Douglas Jack F. , Xu Wen-Sheng
Published: January 2024

We utilized molecular dynamic simulation to investigate the glass formation of star polymer melts in which the topological complexity is varied by altering the number of star arms (f). Emphasis was placed on how the “confinement effect” of repulsive inter-arm interactions within star polymers influences the thermodynamics and dynamics of star polymer melts. All the characteristic temperatures of glass formation were found to progressively increase with increasing f, but unexpectedly the fragility parameter KVFT was found to decrease with increasing f. As previously observed, stars having more than 5 or 6 arms adopt an average particle-like structure that is more contracted relative to the linear polymer size having the same mass and exhibit a strong tendency for intermolecular and intramolecular segregation. We systematically analyzed how varying f alters collective particle motion, dynamic heterogeneity, the decoupling exponent ζ phenomenologically linking the slow β- and α-relaxation times, and the thermodynamic scaling index γt. Consistent with our hypothesis that the segmental dynamics of many-arm star melts and thin supported polymer films should exhibit similar trends arising from the common feature of high local segmental confinement, we found that ζ increases considerably with increasing f, as found in supported polymer films with decreasing thickness. Furthermore, increasing f led to greatly enhanced elastic heterogeneity, and this phenomenon correlates strongly with changes in ζ and γt. Our observations should be helpful in building a more rational theoretical framework for understanding how molecular topology and geometrical confinement influence the dynamics of glass-forming materials more broadly.
Spin-polarized electrical transport properties of organic radicals in presence of zigzag-graphene nanoribbon leads
Authors: Sarkar Sudip , Kumar Ameet , Cho Daeheum
Published: January 2024

The present work delves into the spin-polarized transport property of organic radicals sandwiched between two zigzag-graphene nanoribbon (ZGNR) electrodes by employing density functional theory and nonequilibrium Green’s function technique. We demonstrated that the magnetic center(s) of the radical can manipulate the localized edge states of the ZGNR in the scattering region, causing ferromagnetic coupling. Such manipulation of the magnetic edges results in a high spin-filter effect in molecular junctions, and even the antiferromagnetic diradicals serve as nearly perfect spin filters. We have confirmed that this is a general phenomenon of ZGNR by analyzing two antiferromagnetic diradicals and a doublet. The spin-polarized density of states, transmission spectra, and current vs voltage curves of the systems provide strong evidence for our findings. This research strongly suggests that ZGNRs attached with organic radicals could be the perfect building blocks for spintronic materials.
Drainage dynamics: From capillary to viscous fingering under different wettability
Authors: Liu Yang , Zhu Rongjiu , Lyu Qiang , Zhou Yan , Sun Qiji , Zhao Jun
Published: January 2024

The displacement of two-phase fluids within porous media is a critical process in various engineering and industrial fields. However, the inherent instability of the fluid interface often leads to an irregular morphology of the displacement front, which can impact the efficiency of displacement and limit its application in engineering activities. In this study, the color gradient model based on the lattice Boltzmann method was employed to simulate displacement, with the aim of investigating the dynamic evolution of the displacement front under the combined effects of wettability and injection velocity, specifically during the capillary to viscous fingering transition. The results demonstrate that the impact of wettability on the displacement front morphology increases as the injection velocity decreases. The displacement process with the maximum fingering distribution range and compact morphology is found at the midpoint of the capillary-viscous fingering crossover zone. Furthermore, an in-depth analysis of the phase field evolution and pressure difference changes between the inlet and outlet unveiled the pore-filling mechanisms associated with the unique variation characteristics of the displacement front and the fluid topological structure. These comprehensive pore-scale findings offer theoretical insight supporting the engineering application of the two-phase flow in porous media from multiple perspectives.
The effects of desk-partition layout on cough droplet dynamics relating to seasonal influenza
Authors: Norvihoho Leslie K. , Yin Jing , Liu Yi , Yu Hai-Tao , Jiang Yi , Zhou Zhi-Fu , Chen Bin
Published: January 2024

The use of physical dividers as control measures for short-range viral transmission in indoor settings has gained increasing attention. However, the understanding regarding their correct usage under different seating arrangements is incomplete. In this study, we focused on assessing the effectiveness of physical dividers in impeding the transient transmission of cough droplets in three representative layouts using the large-eddy simulation technique with the Eulerian–Lagrangian model. We computationally also investigated the effects of ventilation on viral droplet transmission under three representative desk-divider layouts. The ventilation approach was tested using two different ventilation rates (1.0 and 1.8 m/s). A comparative analysis of the ventilation flow fields, topologies, and particle directions has been studied. The findings indicate that the sitting arrangements, ventilation rates, and partition layouts play a significant role in designing effective control measures for indoor infection under the office setup considered. The protected occupied zone ventilation (POV) worked best in situations of low ventilation (1.0 m/s) for cross-partition in protecting the three healthy persons. In addition, the POV performed well for low (1.0 m/s) and high (1.8 m/s) ventilation rates for face-to-face layout. The side-by-side configuration performed poorly for the POV considered in protecting the healthy person seated directly opposite the infected person. The numerical predictions may be used to validate other experimental studies and educate office workers and engineers on indoor airborne infection control.
Statistical analysis of vortex condensate motion in two-dimensional turbulence
Authors: Parfenyev Vladimir
Published: January 2024

An inverse turbulent cascade in a periodic square box produces a coherent system-sized vortex dipole. We study the statistics of its motion by carrying out direct numerical simulations performed for various bottom friction α, pumping intensity ε, and fluid hyperviscosity ν. In the main approximation, coherent vortices can be considered as point vortices, and within this model, they drift at the same dipole velocity, which is determined by their circulation and mutual arrangement. The characteristic value of the dipole velocity is more than an order of magnitude smaller than the polar velocity inside coherent vortices. Turbulent fluctuations give rise to a relative velocity between the vortices, which changes the distance between them. We found that for a strong condensate, the probability density function of the vector ρ, describing the difference in the mutual arrangement of coherent vortices from half the diagonal of the computational domain, has the form of a ring. The radius of the ring weakly depends on control parameters and its width is proportional to parameter δ=ϵ−1/3L2/3α, where ϵ is the inverse energy flux and L is the system size. The random walk around the ring, caused by turbulent fluctuations, has superdiffusion behavior at intermediate times. It results in a finite correlation time of the dipole velocity, which is of the order of turnover time τK=L2/3ϵ−1/3 of system-size eddies produced by an inverse turbulent cascade. The results obtained deepen the understanding of the processes governing the motion of coherent vortices.
High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction
Authors: Xu Xin , Liu Shu , Chen Jun , Zhang Dong H.
Published: January 2024

Polanyi’s rules predict that a late-barrier reaction yields vibrationally cold products; however, experimental studies showed that the H2 product from the late-barrier H + H2O(|04⟩−) and H + HOD(vOH = 4) reactions is vibrationally hot. Here, we report a potential-averaged five-dimensional state-to-state quantum dynamics study for the H + HOD(vOH = 0–4) → H2 + OD reactions on a highly accurate potential energy surface with the total angular momentum J = 0. It is found that with the HOD vibration excitation increasing from vOH = 1 to 4, the product H2 becomes increasingly vibrationally excited and manifests a typical characteristic of an early barrier reaction for vOH = 3 to 4. Analysis of the scattering wave functions revealed that vibrational excitation in the breaking OH bond moves the location of dynamical saddle point from product side to reactant side, transforming the reaction into an early barrier reaction. Interestingly, pronounced oscillatory structures in the total and product vibrational-state-resolved reaction probabilities were observed for the H + HOD(vOH = 3, 4) reactions, in particular at low collision energies, which originate from the Feshbach resonance states trapped in the bending/torsion excited vibrational adiabatic potential wells in the entrance region due to van der Waals interactions.
Domain-modified engineering for low-power resistive switching in ferroelectric diodes
Authors: Niu Jianguo , Jiang Yaoxiang , Shi Xiaohui , Xue Donglai , Yang Bo , Zhao Shifeng
Published: January 2024

Neuromorphic devices based on ferroelectric resistive switching (RS) effects are promising to simulate the information recognition and memory of the human brain. However, the high power of RS elements in crossbar arrays is still an issue, limiting the neuromorphic applications. Here, we propose a domain-modified engineering for low-power RS in ferroelectric diodes by locally introducing relaxor ferroelectric units to lower domain switching barriers. A low-power RS of ∼ 70 μW, with large OFF/ON resistance ratio and high endurance, is achieved in Au/0.8BaTiO3-0.1Ba0.7Sr0.3TiO3-0.1BaTi0.7Zr0.3O3/Pt diodes, which is about 48.5% lower than that in Au/BaTiO3/Pt diodes. The interaction between macrodomains is depressed by domain modification engineering, lowering domain switching barriers, thereby operating voltage and power are significantly modulated. Meanwhile, good nonvolatility is obtained since the remanent polarization is partially maintained by the initial macrodomains and its decrease is slowed down by the relaxor units. This work provides a strategy to lower RS power by domain modification engineering for developing memristors and neuromorphic computing devices.
Performance of periodic EOM-CCSD for bandgaps of inorganic semiconductors and insulators
Authors: Vo Ethan A. , Wang Xiao , Berkelbach Timothy C.
Published: January 2024

We calculate bandgaps of 12 inorganic semiconductors and insulators composed of atoms from the first three rows of the Periodic Table using periodic equation-of-motion coupled-cluster theory with single and double excitations (EOM-CCSD). Our calculations are performed with atom-centered triple-zeta basis sets and up to 64 k-points in the Brillouin zone. We analyze the convergence behavior with respect to the number of orbitals and number of k-points sampled using composite corrections and extrapolations to produce our final values. When accounting for electron–phonon corrections to experimental bandgaps, we find that EOM-CCSD has a mean signed error of −0.12 eV and a mean absolute error of 0.42 eV; the largest outliers are C (error of −0.93 eV), BP (−1.00 eV), and LiH (+0.78 eV). Surprisingly, we find that the more affordable partitioned EOM-MP2 theory performs as well as EOM-CCSD.
Phase change induced reversible high-Q near-unity circular dichroism in chiral metasurfaces
Authors: Chen Jiafei , Cheng Yang , Liu Xiaoshan , Fu Guolan , Wu Xiangman , Liu Guiqiang , Liu Zhengqi
Published: January 2024

We propose and demonstrate a chiral metasurface with capability for high Q-factor, near-unity (0.999) circular dichroism (CD) via utilization of bound states in the continuum. The CD response can be reversed with the value ranging from −0.7 to 0.82 by increasing structural perturbations to induce chiral magnetic quadrupole modes and the accompanied phase jump. In addition, more than 100-fold enhancement of C/CCPL in the superchiral near field is achieved while maintaining a high Q-factor of 105. The findings hold broad application prospects in chiral sensing, valley electronics, and ultrasensitive chiral spectroscopy detection.
Seed bacterial microbiota in post-submergence tolerant and sensitive barley genotypes
Authors: Gómez-Álvarez Eva María , Salardi-Jost Monique , Ahumada Germán Darío , Perata Pierdomenico , Dell’Acqua Matteo , Pucciariello Chiara
Published: January 2024

Flooding is a predominant abiotic stress for cultivated plants, including barley. This cereal crop shows a large adaptability to different environmental conditions, suggesting the presence of key traits to tolerate adverse conditions. During germination, genetic variations account for dissimilarities in flooding tolerance. However, differences in the seed microbiota may also contribute to tolerance/sensitivity during seedling establishment. This work investigated differences in microbiome among the grains of barley accessions. Two barley phenotypes were compared, each either tolerant or sensitive to a short submergence period followed by a recovery. The study used a metataxonomic analysis based on 16S ribosomal RNA gene sequencing and subsequent functional prediction. Our results support the hypothesis that bacterial microbiota inhabiting the barley seeds are different between sensitive and tolerant barley accessions, which harbour specific bacterial phyla and families. Finally, bacteria detected in tolerant barley accessions show a peculiar functional enrichment that suggests a possible connection with successful germination and seedling establishment.
Multifaceted effects of bycatch mitigation measures on target or non-target species for pelagic longline fisheries and consideration for bycatch management
Authors: Ochi Daisuke , Okamoto Kei , Ueno Shintaro
Published: January 2024

Context The pelagic longline fishery has implemented bycatch mitigation measures to reduce sea turtle bycatch, but little attention has been given to their side effects on other endangered species. Aims To investigate the impact of using circle hooks and whole fish bait on the fishing mortality of target and non-target fish species, as well as bycatch species. Methods Long-term data collected from research cruises conducted by a pelagic longline vessel were used for analysis. A Bayesian quantitative evaluation was employed to assess the effects of the mitigation measures on the fishing mortality of various species. Key results The use of circle hooks led to an increase in mouth-hooking for both target and bycatch species, and the effect was proportional to hook size. Although deploying circle hooks did not increase fishing mortality per unit effort (MPUE) for shortfin mako sharks, combining to whole fish bait had a significant increase on MPUE. Conclusions The study stresses the need for considering the trade-offs of bycatch mitigation measures such as circle hooks and fish bait among multi-taxa species. Implications The necessity for quantitative assessments of bycatch mitigation measures before implementation is highlighted to avoid unintended consequences on endangered species and ensure effective conservation in pelagic longline fisheries.
Efficient seismic fragility assessment method for a frictional isolated bridge constrained by shape memory alloy cables under pulse-like ground motion
Authors: Zhu Yuntao , Shu Yiwei , Zhong Jian
Published: January 2024

Utilizing shape memory alloy (SMA) cables to constrain frictional isolated bridges is considered an efficient approach to limit bearing displacement and prevent serious earthquake damage. Accurate seismic fragility assessments of this kind of structure are crucial for aseismic decision making. However, traditional assessment methods cannot quantitatively describe the impact of the pulse effect on pulse-type seismic motions, which may lead to inaccurate assessment results. Therefore, this study deduced a novel equation for seismic fragility assessment that considers the pulse effect. Firstly, the impact of the pulse effect is quantified. Then, a multivariable probabilistic seismic demand model (MV-PSDM) is developed that is conditioned on the pulse period, peak ground velocity, structural period, maximum friction coefficient and SMA consumption. Based on the MV-PSDM, an effective approach for predicting structural seismic vulnerability is recommended, which does not require finite element modeling or nonlinear time-history analysis. Finally, a novel equation for calculating the intensity measure corresponding to 50% damage probability is deduced. The results indicate that increased friction coefficients and SMA consumption can enhance structural seismic safety under pulse-type ground motions. However, when the ratio of pulse period to structural period is too small, increased friction coefficients or SMA consumption have no meaningful effect on the seismic fragility of the structure.
Impact of local plastic deformation on thermo-magnetic instability of high-J
c Nb3Sn strand
Authors: Liu Yunhao , Wu Yu , Nijhuis Arend , Guo Zichuan , Shi Yi , Liu Fang , Zhu Lina , Dai Chao , Shin Iksang , Sim Kihong , Qin Jinggang
Published: January 2024

The future fusion reactor devices built by Institute of Plasma Physics, Chinese Academy of Science will be a compact burning plasma facility to fill the gap between ITER and the China Fusion Engineering Test Reactor, with the mission of studying the deuterium–tritium plasma in steady-state operation. The winding-package (WP) of its toroidal field coil is graded into high-field WP and low-field WP, and the high critical current density (J
c) Nb3Sn strand will be applied to the high-field WP based on the current design. The thermo-magnetic instability is the main issue in the application of high-J
c Nb3Sn strand, which may induce premature quenching in the low field regions. This issue can be improved by reducing the effective filament diameter (d
eff) to suppress flux jumps and increasing the residual resistivity ratio (RRR) to enhance the release of heat generated by flux jumps. However, in the conductor manufacturing process, local plastic deformations (indentation) of strands can impact the sub-element layout and degrade the RRR of the strand, which would increase again the risk on instability. In this study, magnetization measurements and V–I tests were performed on samples with different indentation depths. The hysteresis loss and d
eff of the indented sample was obtained from the test results. The impact of local plastic deformation on the thermo-magnetic instability of two types of Nb3Sn strand was confirmed by cross-sectional metallographic observation and quantitative microstructure analysis. It was shown that flux jumps were suppressed at indentation depths below 0.3 mm. Further indentation increase leads to severe flux jumps.
Topological semimetal phase in non-Hermitian Su–Schrieffer–Heeger model
Authors: Li Jia-Jie , Li Jing-Quan , Yan Yu , Cao Ji , Cui Wen-Xue , Zhang Shou , Wang Hong-Fu
Published: January 2024

We explore the non-Hermitian Su–Schrieffer–Heeger model with long-range hopping and off-diagonal disorders. In the non-Hermitian clean limit, we find that the phase diagram holds topological semimetal phase with exceptional points except the normal insulator phase and the topological insulator phase. Interestingly, it is found that the topological semimetal phase is induced by long-range nonreciprocal term when the long-range hopping is not equal to the intercell hopping. Especially, we show the existence of topological semimetal phase with exceptional points and determine the transition point analytically and numerically under the Hermitian clean limit when the long-range hopping is equal to the intercell hopping. Furthermore, we also investigate the effects of the disorders on topological semimetal phase, and show that the disorders can enhance the region of topological semimetal phase in contrast to the case of non-Hermitian clean limit, indicating that it is beneficial to topological semimetal phase whether there is one disorder or two disorders in the system, that is, the topological semimetal phase is stable against the disorders in this one-dimensional non-Hermitian system. Our work provides an alternative avenue for studying topological semimetal phase in non-Hermitian lattice systems.