bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of hydrostatic strain on the mechanical properties and topological phase transition of bi-alkali pnictogen NaLi2Bi
Authors: Malek Hosseini Seyed Mohammad bagher , Yalameha Shahram 
Published: March 2023

Abstract
The bi-alkali pnictogens have attracted significant attention for optoelectronic and photocathodic device applications. However, in most of the compounds belonging to this family, there has been less effort put into investigating the mechanical properties and topological phase transitions (TPT) of the compounds. Here, in the framework of density functional theory, the mechanical properties and topological phase transition of NaLi2Bi under hydrostatic pressures are investigated. Elastic constants and phonon calculations have shown the mechanical and dynamical stability of this compound under hydrostatic tension and compression. The analysis of the elastic constants show that the NaLi2Bi in the equilibrium state is an auxetic material with a negative Poisson’s ratio of -0.285, which changes to a material with a positive Poisson’s ratio under hydrostatic tension. Meanwhile, Poisson’s ratio and Pugh ratio indicate that this compound has brittle behavior and maintains it under hydrostatic pressures. The calculated results of the band structure within the generalized gradient approximation (GGA) (Tran-Blaha modified Becke-Johnson exchange potential approximation (TB-mBJ)) show that NaLi2Bi is a nontrivial topological material (trivial topological material). It was found that hydrostatic compression (tension) in the GGA (TB-mBJ) approach leads to a transition from a nontrivial (trivial) to a trivial (nontrivial) topological phase for this compound. Moreover, the calculated Wannier charge centers confirm the TPT. Identifying the mechanisms controlling the auxetic behavior and TPT of this compound offers a valuable feature for designing and developing high-performance nanoscale electromechanical and spintronic devices.
Exploitation of second-and fourth-order PDEs to improve Lossy compression of noisy images
Authors: Welba Colince , Simo Thierry , Noura Alexendre , Ntsama Pascal Eloundou , Ele Pierre 
Published: March 2023

Abstract
This paper presents a lossy compression method for noisy images. The main contributions in this paper are: improve the performance of noisy image compression algorithms by using partial differential equations (PDEs) as an image preprocessing filter and show that it is more advantageous to apply a restoration filter before compressing noise images. Method: The preprocessing filter is applied to the noisy image first. A comparing of the obtained outcomes with those in the scientific literature devoted to the restoration of noisy images is performed. The filtered image is then submitted to a compression algorithm. The compression algorithm employed is a hybrid of the following: DWT + SPIHT + HUFFMAN. Results: The simulation results demonstrate that the suggested technique is as efficient as approaches described in the scientific literature for picture compression and/or image restoration.
Optical and dispersion studies of thin S35-xGe15SnxTe50 films: Assessment of some physical parameters of samples
Authors: Hassanien Ahmed Saeed , Sharma Ishu , Sharma Pankaj 
Published: March 2023

Abstract
This article presents a study on the optical and dispersion characteristics of a group of thin films with exciting potential for optical applications. Thermally evaporated a-S35−xGe15SnxTe50 thin films (SGST) where x ranges from 0 to 10 at.% have been investigated. XRD, EDX, and FE-SEM techniques are utilized to examine the samples’ physical properties. Meanwhile, optical characteristics are studied in the 300–2500 nm region through transmission and reflection measurements. Experimental and theoretical methods were employed to determine the optical bandgap energies (Eg), indicating that the films’ electronic transition is indirectly allowed. The Eg-values decreased as Sn-content increased, reaching a range of 1.031 eV to 1.301 eV, while the refractive index increased from 2.513 to 2.741. In addition, the Wemple-Di-Domenico model was used to determine the dispersion energies (Eo and Ed), and it is found that they decreased as Sn-content increased, from 2.014 eV to 2.672 eV for Eo, and from 13.009 eV to 15.334 eV for Ed. Many other important parameters, such as the average heat of atomization, total mean bond energy, and deviation from stoichiometry, are also calculated and discussed. The results of this investigation suggest that these SGST samples could be used in various optical applications and provide a basis for further research and innovation in this exciting field.
Computer simulation reveals the effect of severing enzymes on dynamic and stabilized microtubules
Authors: Sen Aritra , Kunwar Ambarish 
Published: March 2023

Abstract
Microtubule (MT) severing enzymes Katanin and Spastin cut the MT into smaller fragments and are being studied extensively using in-vitro experiments due to their crucial role in different cancers and neurodevelopmental disorders. It has been reported that the severing enzymes are either involved in increasing or decreasing the tubulin mass. Currently, there are a few analytical and computational models for MT amplification and severing. However, these models do not capture the action of MT severing explicitly, as these are based on partial differential equations in one dimension. On the other hand, a few discrete lattice-based models were used earlier to understand the activity of severing enzymes only on stabilized MTs. Hence, in this study, discrete lattice-based Monte Carlo models that included MT dynamics and severing enzyme activity have been developed to understand the effect of severing enzymes on tubulin mass, MT number, and MT length. It was found that the action of severing enzyme reduces average MT length while increasing their number; however, the total tubulin mass can decrease or increase depending on the concentration of GMPCPP (Guanylyl-(α, β)-methylene-diphosphonate)—which is a slowly hydrolyzable analogue of GTP (Guanosine triphosphate). Further, relative tubulin mass also depends on the detachment ratio of GTP/GMPCPP and Guanosine diphosphate tubulin dimers and the binding energies of tubulin dimers covered by the severing enzyme.
Chaos in coupled atom–molecular Bose–Einstein condensates
Authors: Deng Haiming , Huang Jianquan , Lei Dajun , Jiang Chunzhi , Kong Chao 
Published: March 2023

Abstract
We investigate the chaotic dynamics of a coupled three-level atom–molecular Bose–Einstein condensate system composed by one molecular mode and two atomic modes. With the increase of atom–molecular coupling strength, we reveal the emergence of chaotic oscillations of the relative population difference between two atomic modes, which can be proven by the broad windows with a huge number of frequencies in spectral density and the chaotic trajectories in phase space diagrams. The different effects of initial states on atomic population oscillations are revealed, where for more particles in the initial state of the molecular model, chaos appears in the larger parameter region of system dynamics. Furthermore, we find that strong intermolecular interaction strength can suppress chaos resulting from strong atom–molecule coupling. This is due to the difficult transformation between atomic and molecular modes, as well as the relatively independent dynamic evolution of atoms and molecules.
Application of a supercomputer Tianhe-II in an electron-positron collider experiment BESIII
Authors: Chen Jing-Kun , Hu Bi-Ying , Ji Xiao-Bin , Ma Qiu-Mei , Tang Jian , Yuan Ye , Zhang Xiao-Mei , Zhang Yao , Zhao Wen-Wen , Zheng Wei 
Published: March 2023

Abstract
Precision measurements and new physics searches require
massive computation in high energy physics
experiments. Supercomputer remains one of the most powerful
computing resources in various areas. Taking the BESIII experiment
as an illustration, we deploy the offline software BOSS into the
top-tier supercomputer “Tianhe-II” with the help of
Singularity. With very limited internet connection bandwidth and
without root privilege, we synchronize and maintain the simulation
software up to date through CVMFS successfully, and an acceleration
rate in a comparison of HPC and HTC is realized for the same
large-scale task. We solve two problems of the real-time internet
connection and the conflict of loading locker by a deployment of a
squid server and using fuse in memory in each computing node. We
provide a MPI python interface for high throughput (HT) parallel
computation in Tianhe-II. Meanwhile, the program to deal with data
output is also specially aligned so that there is no queue issue in
the input/output (I/O) task. The acceleration rate in simulation
reaches 80%, as we have done the simulation tests up to 15K
processes in parallel.
Gender empowerment and energy access: evidence from seven countries
Authors: Chandrasekaran Maya , Krishnapriya P P , Jeuland Marc , Pattanayak Subhrendu K 
Published: March 2023

Abstract
Gender equity is connected to modern energy services in many ways, but quantitative empirical work on these connections is limited. We examine the relationship between a multi-dimensional measure of women’s empowerment and access to improved cookstoves, clean fuels, and electricity. We use the World Bank Multi-Tier Framework survey datasets from seven countries that include almost 25 000 households in Africa and Asia. First, we apply principal component analysis to construct a household level empowerment index, using data on women’s education, credit access, social capital, mobility, and employment. Then, we use simple regression analysis to study the correlation between empowerment and energy access at the household level. We find a positive association between the women’s empowerment index and energy access variables, though this household pattern does not hold across all countries and contexts. While we do not claim that these relationships are causal, to our knowledge this is a fresh analysis of how the empowerment of women is differentially correlated with household energy access across geographies and technologies. Thus, our analysis provides a first step to further work aimed at clarifying gender-energy linkages.
Simulation analysis on microscopic discharge characteristics of the bipolar corona of a floating conductor
Authors: YANG Dongyang , CHEN Jian , DUAN Zemin , XIAO Dengming , JIN Zhijian 
Published: March 2023

Abstract
A floating conductor exhibits a bipolar corona phenomenon with microscopic discharge characteristics that are still unclear. In this study, a plasma simulation model of the bipolar corona with 108 chemical reaction equations is established by combining hydrodynamics and plasma chemical reactions. The evolution characteristics of electrons, positive ions, negative ions and neutral particles, as well as the distribution characteristics of space charges are analyzed, and the evolutionary flow of microscopic particles is summarized. The results indicate that the positive end of the bipolar corona initiates discharge before the negative end, but the plasma chemistry at the negative end is more vigorous. The electron generation rate can reach 1240 mol (m3 s)−1, and the dissipation rate can reach 34 mol (m3 s)−1. The positive ion swarm is dominated by O+
4, and the maximum generation rate can reach 440 mol (m3 s)−1. The negative ion swarm is mainly O−
2 and O−
4. The O−
2 content is approximately 1.5–3 times that of O−
4, and the maximum reaction rate can reach 51 mol (m3 s)−1. The final destination of neutral particles is an accumulation in the form of O3 and NO, and the amount of O3 produced is approximately 4–6 times that of NO. The positive end of the bipolar corona is dominated by positive space charges, which continue to develop and spread outwards in the form of a pulse wave. The negative end exhibits a space charge distribution structure of concentrated positive charges and diffused negative charges. The validity of the microscopic simulation analysis is verified by the macroscopic discharge phenomenon.
Comprehensive Identification of Chemical Fingerprint and Screening of Potential Quality Markers of Aloe vera (L.) Burm. f. from Different Geographical Origins via Ultra-High-Performance Liquid Chromatography Hyphenated with Quadrupole–Orbitrap-High-Resolution Mass Spectrometry Combined with Chemometrics
Authors: Yan Yahui , Abdulla Rahima , Ma Qingling , Aisa Haji Akber 
Published: March 2023

Abstract
An integrated strategy was developed for the systematic chemical fingerprint and chemometrics analysis for the quality assessment of Aloe vera (L.) Burm. f. The ultra-performance liquid chromatography fingerprint was established, and all common peaks were tentatively identified by using ultra-high-performance liquid chromatography hyphenated with quadrupole–orbitrap-high-resolution mass spectrometry. Afterwards, the datasets of common peaks were subjected to hierarchical cluster analysis, principal component analysis and partial least squares discriminant analysis to holistically compare the differences. The results revealed that the samples were predicted to fall into four clusters, which were related to four different geographical locations. Using the proposed strategy, aloesin, aloin A, aloin B, aloeresin D and 7-O-methylaloeresin A were rapidly determined to be the potential characteristic quality markers. Finally, five screened compounds in 20 batches of samples were simultaneously quantified, and their total contents were ranked as follows: Sichuan province &gt; Hainan province &gt; Guangdong province &gt; Guangxi province, which suggests that geographical origins may be an important factor affecting the quality of A. vera (L.) Burm. f. This new strategy can not only be used to explore possibly the latent active substance candidates for pharmacodynamic studies, but it is also an efficient analytical strategy for other complex traditional Chinese medicine systems.
Syndecan-1 predicts hemodynamic instability in critically ill patients under intermittent hemodialysis
Authors: Nascimento de Moura Antônia Cláudia , Mota Sandra Mara Brasileira , Holanda Francisco Márcio Tavares , Meneses Gdayllon Cavalcante , Bezerra Gabriela Freire , Martins Alice Maria Costa , Libório Alexandre Braga 
Published: March 2023

ABSTRACT

Introduction
Up to 70% of intermittent hemodialysis (IHD) sessions in critically ill patients are complicated by hemodynamic instability. Although several clinical characteristics have been associated with hemodynamic instability during IHD, the discriminatory capacity of predicting such events during IHD sessions is less defined. In the present study, we aimed to analyse endothelium-related biomarkers collected before IHD sessions and their capacity to predict hemodynamic instability related to IHD in critically ill patients.

Methods
In this prospective observational study, we enrolled adult critically ill patients with acute kidney injury who required fluid removal with IHD. We screened each included patient daily for IHD sessions. Thirty minutes before each IHD session, each patient had a 5-mL blood collection for measurement of endothelial biomarkers—vascular cell adhesion molecule-1 (VCAM-1), angiopoietin-1 and -2 (AGPT1 and AGPT2) and syndecan-1. Hemodynamic instability during IHD was the main outcome. Analyses were adjusted for variables already known to be associated with hemodynamic instability during IHD.

Results
Plasma syndecan-1 was the only endothelium-related biomarker independently associated with hemodynamic instability. The accuracy of syndecan-1 for predicting hemodynamic instability during IHD was moderate [area under the receiver operating characteristic curve 0.78 (95% confidence interval 0.68–0.89)]. The addition of syndecan-1 improved the discrimination capacity of a clinical model from 0.67 to 0.82 (P &lt; .001) and improved risk prediction, as measured by net reclassification improvement.

Conclusion
Syndecan-1 is associated with hemodynamic instability during IHD in critically ill patients. It may be useful to identify patients who are at increased risk for such events and suggests that endothelial glycocalyx derangement is involved in the pathophysiology of IHD-related hemodynamic instability.
The Apollonian Staircase
Authors: Rickards James 
Published: March 2023

Abstract
A circle of curvature $n\in \mathbb{Z}^+$ is a part of finitely many primitive integral Apollonian circle packings. Each such packing has a circle of minimal curvature $-c\leq 0$, and we study the distribution of $c/n$ across all primitive integral packings containing a circle of curvature $n$. As $n\rightarrow \infty $, the distribution is shown to tend towards a picture we name the Apollonian staircase. A consequence of the staircase is that if we choose a random circle packing containing a circle $C$ of curvature $n$, then the probability that $C$ is tangent to the outermost circle tends towards $3/\pi $. These results are found by using positive semidefinite quadratic forms to make $\mathbb{P}^1(\mathbb{C})$ a parameter space for (not necessarily integral) circle packings. Finally, we examine an aspect of the integral theory known as spikes. When $n$ is prime, the distribution of $c/n$ is extremely smooth, whereas when $n$ is composite, there are certain spikes that correspond to prime divisors of $n$ that are at most $\sqrt{n}$.
General relativistic precession and the long-term stability of the Solar system
Authors: Brown Garett , Rein Hanno 
Published: March 2023

ABSTRACTThe long-term evolution of the Solar system is chaotic. In some cases, chaotic diffusion caused by an overlap of secular resonances can increase the eccentricity of planets when they enter into a linear secular resonance, driving the system to instability. Previous work has shown that including general relativistic contributions to the planets’ precession frequency is crucial when modelling the Solar system. It reduces the probability that the Solar system destabilizes within 5 Gyr by a factor of 60. We run 1280 additional N-body simulations of the Solar system spanning 12.5 Gyr where we allow the general relativity (GR) precession rate to vary with time. We develop a simple, unified, Fokker–Planck advection–diffusion model that can reproduce the instability time of Mercury with, without, and with time-varying GR precession. We show that while ignoring GR precession does move Mercury’s precession frequency closer to a resonance with Jupiter, this alone does not explain the increased instability rate. It is necessary that there is also a significant increase in the rate of diffusion. We find that the system responds smoothly to a change in the precession frequency: There is no critical GR precession frequency below which the Solar system becomes significantly more unstable. Our results show that the long-term evolution of the Solar system is well described with an advection–diffusion model.
Inhibition of SIZ1-mediated SUMOylation of HOOKLESS1 promotes light-induced apical hook opening in Arabidopsis
Authors: Xiong Jiawei , Yang Fabin , Wei Fan , Yang Feng , Lin Honghui , Zhang Dawei 
Published: March 2023

Abstract
The apical hook protects cotyledons and the shoot apical meristem from mechanical injuries during seedling emergence from the soil. HOOKLESS1 (HLS1) is a central regulator of apical hook development, as a terminal signal onto which several pathways converge. However, how plants regulate the rapid opening of the apical hook in response to light by modulating HLS1 function remains unclear. In this study, we demonstrate that the small ubiquitin-like modifier (SUMO) E3 ligase SAP AND MIZ1 DOMAIN-CONTAINING LIGASE1 (SIZ1) interacts with HLS1 and mediates its SUMOylation in Arabidopsis thaliana. Mutating SUMO attachment sites of HLS1 results in impaired function of HLS1, indicating that HLS1 SUMOylation is essential for its function. SUMOylated HLS1 was more likely to assemble into oligomers, which are the active form of HLS1. During the dark-to-light transition, light induces rapid apical hook opening, concomitantly with a drop in SIZ1 transcript levels, resulting in lower HLS1 SUMOylation. Furthermore, ELONGATED HYPOCOTYL5 (HY5) directly binds to the SIZ1 promoter and suppresses its transcription. HY5-initiated rapid apical hook opening partially depended on HY5 inhibition of SIZ1 expression. Taken together, our study identifies a function for SIZ1 in apical hook development, providing a dynamic regulatory mechanism linking the post-translational modification of HLS1 during apical hook formation and light-induced apical hook opening.
CRISPR/Cas9 mutants delineate roles of Populus FT and TFL1/CEN/BFT family members in growth, dormancy release and flowering
Authors: Sheng Xiaoyan , Mahendra R Ayeshan , Wang Chieh-Ting , Brunner Amy M 
Published: March 2023

Abstract
Vegetative and reproductive phase change and phenology are economically and ecologically important traits. Trees typically require several years of growth before flowering and, once mature, seasonal control of the transition to flowering and flower development is necessary to maintain vegetative meristems and for reproductive success. Members of two related gene subfamilies, FLOWERING LOCUST (FT) and TERMINAL FLOWER1 (TFL1)/CENTRORADIALIS (CEN)/BROTHER OF FT AND TFL1 (BFT), have antagonistic roles in flowering in diverse species and roles in vegetative phenology in trees, but many details of their functions in trees have yet to be resolved. Here, we used CRISPR/Cas9 to generate single and double mutants involving the five Populus FT and TFL1/CEN/BFT genes. The ft1 mutants exhibited wild-type-like phenotypes in long days and short days, but after chilling, to release dormancy, they showed delayed bud flush and GA3 could compensate for the ft1 mutation. After rooting and generating some phytomers in tissue culture, both cen1 and cen1ft1 mutants produced terminal as well as axillary flowers, indicating that the cen1 flowering phenotype is independent of FT1. The CEN1 showed distinct circannual expression patterns in vegetative and reproductive tissues and comparison with the expression patterns of FT1 and FT2 suggests that the relative levels of CEN1 compared with FT1 and FT2 regulate multiple phases of vegetative and reproductive seasonal development.