bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploration of the structure, electronic and optical properties of AB
2(PO3)5 polyphosphates: a first-principle approach
Authors: Zhuravlev Y N , Khattari Z Y 
Published: September 2024

Abstract
The density functional theory method was applied using the gradient PBE, incorporating the hybrid PBE0 functional along with dispersion corrections D3(BJ). These objectives were accomplished through the utilization of the CRYSTAL package, employing a localized atomic orbital basis. Calculations encompassing crystal properties, including electronic, structural, and linear/nonlinear opto-electronic characteristics, were conducted for monoclinic AB
2(PO3)5. Specifically, the polyphosphates investigated in this study are RbPb2(PO3)5, CsPb2(PO3)5, KBa2(PO3)5, and RbBa2(PO3)5. It was demonstrated that in monoclinic phosphates, phosphorus and oxygen atoms form infinite chains [PO4]∞ based on the·

⋯

O1-P-O1

⋯

·structure. Alkali metal and lead (barium) atoms are surrounded by oxygen atoms O2, forming polyhedra. Infrared absorption spectra calculations confirmed the presence of chain backbone structural units. Additionally, band structure and partial density of electronic states were determined. The nature of valence and unoccupied states was also investigated. In lead-doped compounds, lead atoms contribute to the formation of upper-valence and lower-unoccupied states. Conversely, in barium-doped compounds, the upper valence states are primarily formed by O2 p-states, while the lower unoccupied states are formed by phosphorus. Also, the coefficients of second harmonic generation and birefringence were calculated, assessing the potential use of phosphates as nonlinear optical materials.
Multifractal analysis of fractal interpolation functions
Authors: Priyanka T M C , Gowrisankar A 
Published: September 2024

Abstract
This paper presents a novel algorithm to utilize multifractal spectrum as a quantitative measure for the fractal interpolation functions with respect to scaling factor and fractional order. As of yet, there were no error estimation techniques to interpret the fractal interpolation functions in the literature. To bridge this gap, this paper sketches multifractality as a quantitative measure for inquiring and comparing the effects of different scaling factors. The proposed algorithm for analyzing the multifractal measure depends on the probability measure of data points, which fractal function passes through, enabling to effectively discuss the heterogeneity of fractal interpolation functions. In addition, the impact of fractional orders on the fractional derivative (integral) of fractal interpolation functions is also discussed tailoring the multifractal measure.
Electrode length effects on the performance of the electrostatic quadrupole triplet lens
Authors: Hussein Oday A 
Published: September 2024

Abstract
The present work aims to better understand the relationship between the electrode length of the electrostatic quadrupole triplet lens (EQTL) and its optical properties, as well as the possibility of increasing efficiency by selecting the electrode length that produces the best results, as this topic has not been discussed in previous studies. The effects of electrode length on the performance of the quadrupole triplet lens (QTL) were studied. The quadrupole triplet lens (QTL) electrode voltage combinations were found to produce the stigmatic image, and the effects of electrode length on the image’s characteristics were examined. Two lenses with electrode lengths L of 80 mm and 90 mm were designed, and the comparisons were made to show the effects on the electrode voltages, electron beam trajectories, and aberration figures. The findings indicated that a 12.5% increase in electrode length resulted in a 60% increase in aberration figures for Δy in point object-to-point image focusing mode and an 80% increase for Δz in parallel object-to-point image focusing mode.
Novel complexiton, rational wave, multi-lumps and the kink solitary wave solutions to the new (3+1)-dimensional integrable fourth-order equation for shallow water waves
Authors: Liang Yan-Hong , Wang Kang-Jia 
Published: September 2024

Abstract
In this exploration, we aim to seek a number of new exact solutions to the new (3+1)-dimensional integrable fourth-order nonlinear equation, which is widely used to describe the shallow water waves. Employing the Cole-Hopf transformation, we develop its bilinear form. Then, taking advantage of the ansatz function method, a new functional form is utilized to probe the singular complexiton solutions. Based on which, the non-singular complexiton solutions are derived by imposing the constraint conditions. In addition, we find the rational wave solutions and multi-lumps solutions wielding the rational function method and new homoclinic method respectively. At the end, we investigate the kink solitary wave solutions using the variational approach that is based on the variational principle and Ritz method. Meanwhile, the Hamiltonian of the system is also elaborated. Correspondingly, the graphic descriptions of the extracted results are presented to unfold their dynamic behaviors through Maple. As we all know, the findings of this paper are firstly reported and can enlarge the exact solutions of the considered PDE.
A Geometric Distortion Solution Specifically for Historical Observations and its Implementation
Authors: Lin F. R. , Peng Q. Y. , Zheng Z. J. , Guo B. F. 
Published: September 2024

Abstract
Geometric distortion (GD) critically constrains the precision of astrometry. Using well-established methods to correct GD requires calibration observations, which can only be obtained using a special dithering strategy during the observation period. Unfortunately, this special observation mode is not often used, especially for historical observations before those GD correction methods were presented. As a result, some telescopes have no GD calibration observations for a long period, making it impossible to accurately determine the GD effect. This limits the value of the telescope observations in certain astrometric scenarios, such as using historical observations of moving targets in the solar system to improve their orbits. We investigated a method for handling GD that does not rely on the calibration observations. With this advantage, it can be used to solve the GD models of telescopes which were intractable in the past. The method was implemented in Python and released on GitHub. It was then applied to solve GD in the observations taken with the 1 m and 2.4 m telescopes at Yunnan Observatory. The resulting GD models were compared with those obtained using well-established methods to demonstrate the accuracy. Furthermore, the method was applied in the reduction of observations for two targets, the moon of Jupiter (Himalia) and binary GSC 2038-0293, to show its effectiveness. After GD correction, the astrometric results for both targets show improvements. Notably, the mean residual between the observed and computed position (O − C) for binary GSC 2038-0293 decreased from 36 to 5 mas.
A Calibration Scheme for a 800-Ms/s 14 Bit Pipelined ADC in 28-nm CMOS
Authors: Cao Tianxiang , Ding Kaijie , Han Shuai , Zhu Jiang , Xu Zhiwei 
Published: September 2024

Abstract
A calibration scheme is proposed to compensate linear and nonlinear errors including offset, cap mismatch, second- and higher-order harmonics and memory induced errors in pipelined analog-to-digital converters (ADCs). The alternating minimization (AM) algorithm is proposed to accurately estimate the coefficients of the errors. As an accurate input value is hardly acquired in practical measurements, instead, the proposed scheme estimates the input and the error coefficients jointly. Once the error coefficient was calculated, it will be recorded in a lookup table (LUT). The scheme has been demonstrated in a 800-Ms/s 14-bit pipelined ADC fabricated in a 28nm CMOS process, which features a signal-to-noise ratio (SNR) and spurious-free dynamic range (SFDR) improvement of 2.49 dB and 11.49 dB at 800-Ms/s.
Dilaton shifts, probability measures, and decomposition
Authors: Sharpe Eric 
Published: September 2024

AbstractIn this paper we discuss dilaton shifts (Euler counterterms) arising in decomposition of two-dimensional quantum field theories with higher-form symmetries. Relative shifts between universes are fixed by locality and take a universal form, reflecting underlying (noninvertible, quantum) symmetries. The first part of this paper constructs a general formula for such dilaton shifts, and discusses related computations. In the second part of this paper, we comment on the relation between decomposition and ensembles.
Geometry of Kirkwood–Dirac classical states: a case study based on discrete Fourier transform
Authors: Yang Ying-Hui , Yao Shuang , Geng Shi-Jiao , Wang Xiao-Li , Chen Pei-Ying 
Published: September 2024

AbstractThe characterization of Kirkwood–Dirac (KD) classicality or non-classicality is very important in quantum information processing. In general, the set of KD classical states with respect to two bases is not a convex polytope (Langreneet al2024J. Math. Phys.65072201), which makes us interested in finding out in which circumstances they do form a polytope. In this paper, we focus on the characterization of KD classicality of mixed states for the case where the transition matrix between two bases is a discrete Fourier transform (DFT) matrix in Hilbert space with dimensionsp2andpq, respectively, wherep,qare prime. For the two particular cases we investigate, the sets of extremal points are finite, implying that the set of KD classical states we characterize forms a convex polytope. We show that forp2dimensional system, the setKDA,B+is a convex hull of the setpure(KDA,B+)based on DFT, whereKDA,B+is the set of KD classical states with respect to two bases andpure(KDA,B+)is the set of all the rank-one projectors of KD classical pure states with respect to two bases. Inpqdimensional system, we believe that this result also holds. Unfortunately, we do not completely prove it, but some meaningful conclusions are obtained about the characterization of KD classicality.
A microvascularized in vitro liver model for disease modeling and drug discovery
Authors: Bonanini Flavio , Dinkelberg Roelof , Torregrosa Manuel Caro , Kortekaas Nienke , Hagens Tessa M S , Treillard Stéphane , Kurek Dorota , van Duinen Vincent , Vulto Paul , Bircsak Kristin 
Published: September 2024

Abstract
Drug discovery for complex liver diseases faces alarming attrition rates. The lack of non-clinical models that recapitulate key aspects of liver (patho)-physiology is likely contributing to the inefficiency of developing effective treatments. Of particular notice is the common omission of an organized microvascular component despite its importance in maintaining liver function and its involvement in the development of several pathologies. Increasing the complexity of in vitro models is usually associated with a lack of scalability and robustness which hinders their implementation in drug development pipelines. Here, we describe a comprehensive liver microphysiological system comprising stellates, liver-derived endothelial cells and hepatocytes conceived within a scalable and automated platform. We show that endothelial cells self-organize in a microvascular network when co-cultured with stellates in a hydrogel. In a tri-culture, hepatocytes polarize accordingly, with a basolateral side facing blood vessels and an apical side facing bile-canaliculi-like structures. Stellates interact and surround the hollow microvessels. Steatosis was induced by exogenous administration of fatty acids which could be prevented by co-administration of firsocostat. Administration of TGF-β resulted in an activated stellate cells phenotype which could be prevented by the co-administration of SB-431542. The model was implemented on a microtiter plate format comprising 64 chips which enabled the development of a fully automated, multiplexed fibrosis assay with a robust Z’ factor suitable for high-throughput applications.
Effect of Y2O3 on thermophysical parameters and mechanical properties of Al-Al2O3 composites and compatibility with high temperature Al-Si alloys
Authors: Ruiying Zhang , Rongxin Xue , Yuqi Li 
Published: September 2024

Abstract
Al-Al2O3 is a crucial encapsulation composite used in solar thermal storage systems. This study utilized Al and Al2O3 powders as raw materials, with Y2O3 serving as a sintering aid, to prepare Al-20Al2O3-xY2O3 composites (x = 0, 0.2, 0.4, 0.6, 0.8, 1.0 wt%) through the cold pressure sintering method. The latent heat, thermal conductivity, and bending strength of the Al-20Al2O3-xY2O3 composites were measured. The compatibility of the composites with Al-12 wt%Si alloys was analyzed. Furthermore, the relationships between thermophysical parameters, mechanical properties, compatibility, and microstructure were explored. The oxidation mechanism of Al and the wetting angle of the composites with Al-12Si were simulated using LAMMPS software. It was concluded that with an increase in Y2O3 content, the bending strength, thermal conductivity, and compatibility of the composites initially increased and then decreased. The Al-20Al2O3-0.2Y2O3 composite exhibited the least porosity, highest bending strength (76.32 MPa), and thermal conductivity (46.82 W/(m·K)). In compatibility testing, the diffusion distance of Si atoms was shortest (90 μm) in the Al-20Al2O3-0.2Y2O3 composite. Moreover, this composite had the largest wetting angle (88°) with the Al-12Si alloy, resulting in good compatibility between them.
Interaction of liquid titanium with zirconates and titanates of some alkaline earth metals
Authors: Kenzhaliyev Bagdaulet , Panichkin Aleksander , Uskenbayeva Alma , Chukmanova Marzhan , Mamaeva Axaule , Kshibekova Balzhan , Alibekov Zhassulan 
Published: September 2024

Abstract
The article presents the results of a study of the interaction of titanium melt with of zirconates BaZrO3 and SrZrO3, as well as titanate SrTiO3 under vacuum conditions and in an inert atmosphere at normal pressure. An original titanium heating method was used during the experiments. It eliminated the melt circulation at the interface between the solid and liquid phases. The method was based on resistive electrical heating of a Grade 2 titanium alloy rod or strip pressed into BaZrO3, SrZrO3 and SrTiO3 powders. Studied the structure, elemental, and phase composition of the products formed during various (up to 300 s) contact of titanium melt with surface zirconates and titaniums. The phase composition was compared with the products obtained by heating compacts from a mixture of titanium powders with BaZrO3, SrZrO3 and SrTiO3 powders. It was shown based on the results obtained that titanium, upon contact with these ceramic materials dissolves zirconium and oxygen and reduces barium and strontium to a metallic state. Barium and strontium evaporated due to the high vapor pressure at the experimental temperature, and caused the melt to splash or form a vapor layer that reduced the interaction rate of the melt with the ceramic. When a titanium melt interacted with BaZrO3 and SrZrO3 intermediate phases were not formed in quantities sufficient for their identification. The Sr3Zr2O7 phase was formed in small quantities during heating a mixture of Ti+SrZrO3 powders. When a titanium melt interacted with SrTiO3, a layer of an intermediate phase was formed, similar in composition to TiO2. Equations for the chemical reaction of the interaction of titanium with the indicated zirconates and titanate were compiled based on the experimental data obtained. It has been shown that titanium melt weted the surface of BaZrO3, SrZrO3 powders well and poorly weted the surface of SrTiO3 powder.
Neural network representation of quantum systems
Authors: Hashimoto Koji , Hirono Yuji , Maeda Jun , Totsuka-Yoshinaka Jojiro 
Published: September 2024

Abstract
It has been proposed that random wide neural networks near Gaussian process are quantum field theories around Gaussian fixed points. In this paper, we provide a novel map with which a wide class of quantum mechanical systems can be cast into the form of a neural network with a statistical summation over network parameters. Our simple idea is to use the universal approximation theorem of neural networks to generate arbitrary paths in the Feynman’s path integral. The map can be applied to interacting quantum systems / field theories, even away from the Gaussian limit. Our findings bring machine learning closer to the quantum world.
Large-scale gene expression data clustering through incremental ensemble approach
Authors: Khan Imran , Shaikh Abdul Khalique , Adhikari Naresh 
Published: September 2024

Abstract
DNA microarray technology monitors gene activity in real-time in living organisms. It creates a large amount of data that helps scientists learn about how genes work. Clustering this data helps understand gene interactions and uncover important biological processes. However, the traditional clustering techniques have difficulties due to the enormous dimensionality of gene expression data and the intricacy of biological networks. Although ensemble clustering is a viable strategy, such high-dimensional data may not lend itself well to traditional approaches. This study introduces a novel technique for gene expression data clustering called incremental ensemble clustering for gene expression data (IECG). There are two steps in the IECG. A technique for grouping gene expression data into windows is presented in the first step, producing a tree of clusters. This procedure is carried out again for succeeding windows that have distinct feature sets. The base clusterings of two consecutive windows are ensembled using a new goal function to form a new clustering solution. By repeating this step-by-step method for further windows, reliable patterns that are beneficial for medical applications can be extracted. The results from both biological and non-biological data demonstrate that the proposed algorithm outperformed the state-of-the-art algorithms. Additionally, the running time of the proposed algorithm has been examined.
Stranded human and produced capital in a net-zero transition
Authors: Chester Daniel , Lynch Cormac , Mercure Jean-Francois , Jarvis Andrew 
Published: September 2024

Abstract
The pace of the net-zero transition required to meet the Paris Agreement objectives puts the value of existing carbon-dependent capital at risk of premature depreciation. This risk extends beyond physical capital and threatens occupations and livelihoods. We quantify the current value and turnover timescales of existing global human and produced capital and compare the rate at which it naturally depreciates with that at which it would be required to depreciate to achieve climate targets. We find that achieving net-zero in 2050 by ending carbon-intensive investment in 2020 would have put up to 117 T$ of global capital value at risk. Delaying a ban on carbon-intensive investment to 2030, however, implies a risk of up to 557 T$ (37% of current capital), around three quarters of which is human capital. Reducing these risks could warrant intervention in both the financial and educational systems, where training for occupations that may soon cease to exist could be avoided. Other similar transformative policies to stimulate new economic capabilities in fossil fuel dependent regions are needed to ensure a just transition.
Estimating Patient Eligibility And Benefit Of Intravenous Zolendronic Acid In Hip Fracture Patients: A Service Evaluation
Authors: Flatharta Tomás Ó , Walsh Erica , Parris Joshua , Ashraf Mubashra , Laffan Suzanne , O'Regan Niamh 
Published: September 2024

Abstract

Background
Low trauma hip fractures are serious and carry an estimated re-fracture rate of 10.6%, leading increased morbidity, mortality and healthcare cost. Intravenous Zolendronic Acid (IVZ) administration following hip fracture reduces re-fracture risk by approximately 23% and is recommended yearly for three years by National Osteoporosis Guidelines Group (NOGG) 2021. However, a significant treatment gap remains with only one-fifth of patients receiving IVZ pre-discharge, due to implementation challenges, such as suboptimal Vitamin D levels and lack of resources for yearly infusions. Recently published consensus guidelines offer practical advice as to how to overcome these barriers. This service evaluation estimates the proportion of hip fracture patients eligible for IVZ; as well as the re-fracture rate, prior to the introduction of a local IVZ pathway.

Methods
Approval from local Quality and Patient Safety Department was received. Low trauma hip fracture patients were identified from the local Orthogeriatric database (October 2019 to January 2021). Hospital electronic laboratory and radiology software were used to identify renal function on discharge and evidence of further fractures (at six months, 1 year and 3 years). Subjects were deemed potentially eligible for IVZ if they had an estimated glomerular filtration rate (eGFR) of ≥50 mls/min (a proxy for calculated creatinine clearance ≥30mls/min in this patient cohort).

Results
Of 463 subjects, 384 (82.9%) had an eGFR ≥50. Re-fracture data was collected for 263 eligible subjects. Seventeen (6.5%) re-fractured within six months, 21 (8%) re-fractured within a year and 45 (17.1%) re-fractured at any stage post discharge.

Conclusion
IVZ treatment is the most efficacious secondary fracture prevention post-hip fracture, and most patients are eligible for this treatment. Implementing IVZ pathways for hip fracture patients may significantly reduce re-fracture rate, however expansion of resources allocated to Orthogeriatrics and Fracture Liaison teams is required to successfully implement inpatient pathways and ongoing care.
Providing A ‘Helping Hand’ To ‘Get to Know Me’ And What ‘I Can’ Do For People With Dementia
Authors: Heraughty Niamh , Douglas Laura , Montague Orla 
Published: September 2024

Abstract

Background
In November 2020 the referral rate for residents with dementia for communication assessment was only 18% of all referrals. The Speech and Language Therapy (SLT) Department had no standard pathway for assessment and intervention of communication for those residents. Part of the aim of devising this pathway was to empower our fellow Health Care Workers (HCWs) to have meaningful, successful and satisfying conversations and facilitate positive, person-centred communication.

Methods

Results
Qualitative feedback received from staff and families highlight our residents' “personhood” and how the tools help preserve residents' memories. The tools are available in resident's files for all HCWs to use. SLTs continue to complete the cognitive and language screens but student nurses complete the Getting To Know Me questionnaire. Since commencement of this initiative there have been more than 230 residents whom have at least 1 of the tools is completed.

Conclusion
These tools can help reveal the personhood of our residents and can empower all HCWs in conversation with residents. They help to provide comfort and attachment to people with dementia by helping us maintain their identity and foster inclusion by empowering residents and staff in conversations. This project is easily replicated and practical.