bluuebunny/crossref_metadata_2025_split huggingface dataset:
Simulation-ready graphene oxide structures with hierarchical complexity: a modular tiling strategy
Authors: Garcia Natalya A , Awuah Joel B , Zhao Chaoyue , Vuković Filip , Walsh Tiffany R 
Published: January 2023

Abstract
Graphene oxide (GO) sheet structures are highly variable and depend on preparation conditions. The use of molecular simulation is a complementary strategy to explore how this complexity influences the ion transport properties of GO membranes. However, despite recent advances, computational models of GO typically lack the required complexity as suggested by experiment. The labor required to create such an ensemble of such structural models with the required complexity is impractical without recourse to automated approaches, but no such code currently can meet this challenge. Here, a modular tiling concept is introduced, along with the HierGO suite of code; an automated approach to producing highly complex hierarchically-structured models of GO with a high degree of control in terms of holes and topological defects, and oxygen-group placement, that can produce simulation-ready input files. The benefits of the code are exemplified by modeling and contrasting the properties of three types of GO membrane stack; the widely-modeled Lerf–Klinowski structure, and two types of highly heterogeneous GO sheet reflecting differing processing conditions. The outcomes of this work clearly demonstrate how the introduction of the complexity modeled here leads to new insights into the structure/property relationships of GO with respect to permeation pathways of water, ions and molecular agents that are inaccessible using previously-considered models.
Direct laser writing of copper and copper oxide structures on plastic substrates for memristor devices
Authors: Jones Joshua , Snowdon Monika R , Rathod Shasvat , Peng Peng 
Published: January 2023

Abstract
Rapid fabrication of flexible electronics is attracting much attention in many industries. There is a need to rapidly produce flexible electronic components without relying on costly precursor materials and complex processes. This work presents a direct laser writing (DLW) process capable of rapidly depositing flexible copper or copper oxide structures with a high degree of control over electrical properties. The DLW process uses a low-power fiber laser beam to selectively irradiate a thin film of copper ions to form and interconnect copper nanoparticles. The electrical properties of the deposited patterns can be controlled by tuning laser power, scanning speed, and beam defocus. The microstructures of patterns printed at varying laser powers are investigated using scanning electron microscopy, x-ray photoelectron spectroscopy, and x-ray powder diffraction and the relation between laser power and sheet resistance is explored. The results showed that high laser energy densities resulted in highly conductive patterns of metallic copper, whereas lower energy patterns resulted in copper oxide-rich patterns with significantly lower conductivity. This method can produce high-quality flexible electronic components with a range of potential applications, as demonstrated by the proof-of-concept fabrication of a flexible memristive junction with resistive switching observed at ±0.7 V and a R
on/R
off ratio of 102.
CO2 snow jet cleaning as a roll-to-roll compatible method for deburring IMI substrates after laser patterning
Authors: Wagner M , Distler A , Schmidt H-D , Classen A , Stubhan T , Koegl M , Illg J , Brabec C J , Egelhaaf H-J 
Published: January 2023

Abstract
Burring is commonly encountered upon patterning of dielectric-metal-dielectric (DMD) transparent electrodes by laser ablation. These burrs are conductive and thus lead to shunting of the (opto-)electronic devices built upon these electrodes. In this work, CO2 snow jet blasting is presented as a convenient and reliable method for deburring laser-patterned DMD electrodes during roll-to-roll manufacturing of organic solar modules. As CO2 snow jet blasting significantly reduces the extent of shunting and concomitantly avoids scratching the electrode, the photoelectrical conversion efficiencies of the solar modules thus produced are higher than those obtained for traditional deburring techniques.
Experimental and numerical investigation of dry turning AISI 1030 carbon steel using CNC lathe machining
Authors: Alemayoh Gebremichael Haileselasse , Singh Balkeshwar , Tesfamariam Belay Brehane 
Published: January 2023

Abstract
Nowadays, modern metal industries have difficulty obtaining the required surface quality during machining. This is because various process parameters affect the quality of the surface. The aim of study to examine and enhance the impact of cutting-speed, cutting-depth, and feed rate during dry turning of AISI 1030 carbon steel experimentally and numerically (by DEFORM 3D) to get a better output response like minimal surface roughness, tool temperature, and maximum MRR. Taguchi-based grey relational analysis optimization technique was used for the experimental design and to determine the optimum solution of the multi-response. ANOVA was utilized to assess the contribution of the cutting parameters. Based on the results, cutting speed was the most important parameter that influenced the multiple responses of the grey-relational analysis, with a significance of 56.85%. The optimum parametric combination of multi-responses was 90 m min−1, 0.25 mm, and 0.15 mm/rev. With a minimum average relative error, the Taguchi prediction and finite element simulation were in excellent agreement with the experimental result.
Evaluation of asphalt ageing degree based on asphalt color
Authors: Xu Song , Wang Chuan , Wang Yefei , Yao Qiongfang , Ma Hongyan , Jia Xiaojuan , Fang Lei 
Published: January 2023

Abstract
To understand the relationship between the surface color and ageing of asphalt, the evaluation method for asphalt surface color was established with the color parameter of Munsell Value, then two asphalts were adopted to study the influence of asphalt ageing on its surface color, and the mechanism of whitening was investigated by the four generic fractions experiment, color spectrum tests and scanning electron microscopy (SEM) test. The results show that the surface color of asphalt will be changed by some factors, while ageing is an important factor. The thermal-oxidative ageing (TOA) of asphalt would lead to the asphalt to be darker in color due to the component migration caused by ageing, while the ultraviolet ageing (UVA) of asphalt will result in a grey or white asphalt surface because of the fact that UVA makes the surface wrinkled and rough which would cause the asphalt surface to change from specular reflection to diffuse reflection. Since the whitening of asphalt surface caused by UVA is much more serious than the blacking caused by TOA, the asphalt pavement always tends to appear grey or white during its service life. To verify the close relationship between the surface color and UVA degree of asphalt, two modified asphalts with anti-ultraviolet ageing agents, carbon black and layered double hydroxides, were suffered from UVA, and their ageing degrees were assessed with the parameters of Munsell Value and conventional physical properties, results indicate the two evaluations on UVA degree have much consistency, which means it is feasible to adopt Munsell Value, a parameter of asphalt surface color, to evaluate the UV ageing degree of asphalt.
Stochastic interpolation of sparsely sampled time series by a superstatistical random process and its synthesis in Fourier and wavelet space
Authors: Lübke Jeremiah , Friedrich Jan , Grauer Rainer 
Published: January 2023

Abstract
We present a novel method for stochastic interpolation of sparsely sampled time signals based on a superstatistical random process generated from a multivariate Gaussian scale mixture. In comparison to other stochastic interpolation methods such as Gaussian process regression, our method possesses strong multifractal properties and is thus applicable to a broad range of real-world time series, e.g. from solar wind or atmospheric turbulence. Furthermore, we provide a sampling algorithm in terms of a mixing procedure that consists of generating a

1
+
1

-dimensional field

u
(
t
,
ξ
)

, where each Gaussian component

u
ξ

(
t
)

is synthesized with identical underlying noise but different covariance function

C
ξ

(
t
,
s
)

parameterized by a log-normally distributed parameter ξ. Due to the Gaussianity of each component

u
ξ

(
t
)

, we can exploit standard sampling algorithms such as Fourier or wavelet methods and, most importantly, methods to constrain the process on the sparse measurement points. The scale mixture u(t) is then initialized by assigning each point in time t a

ξ
(
t
)

and therefore a specific value from

u
(
t
,
ξ
)

, where the time-dependent parameter

ξ
(
t
)

follows a log-normal process with a large correlation time scale compared to the correlation time of

u
(
t
,
ξ
)

. We juxtapose Fourier and wavelet methods and show that a multiwavelet-based hierarchical approximation of the interpolating paths, which produce a sparse covariance structure, provide an adequate method to locally interpolate large and sparse datasets.
The impact of cost function globality and locality in hybrid quantum neural networks on NISQ devices
Authors: Kashif Muhammad , Al-Kuwari Saif 
Published: January 2023

Abstract
Quantum neural networks (QNNs) are often challenged with the problem of flat cost function landscapes during training, known as barren plateaus (BP). A solution to potentially overcome the problem of the BP has recently been proposed by Cerezo et al In this solution, it is shown that, for an arbitrary deep quantum layer(s) in QNNs, a global cost function (all qubits measured in an n-qubit system) will always experience BP, whereas a local cost function (single qubit measured in an n-qubit system) can help to alleviate the problem of BP to a certain depth (

)). In this paper, we empirically analyze the locality and globality of the cost function in hybrid quantum neural networks. We consider two application scenarios namely, binary and multi-class classification, and show that for multiclass classification, the local cost function setting does not follow the claims of Cerezo et al; that is, the local cost function does not result in an extended quantum layer’s depth. We also show that for multiclass classification, the overall performance in terms of accuracy for the global cost function setting is significantly higher than the local cost function setting. On the other hand, for binary classification, our results show that the local cost function setting follows the claims of Cerezo et al, and results in an extended depth of quantum layers. However, the global cost function setting still performs slightly better than the local cost function.
A multi-view latent variable model reveals cellular heterogeneity in complex tissues for paired multimodal single-cell data
Authors: Wang Yuwei , Lian Bin , Zhang Haohui , Zhong Yuanke , He Jie , Wu Fashuai , Reinert Knut , Shang Xuequn , Yang Hui , Hu Jialu 
Published: January 2023

Abstract

Motivation
Single-cell multimodal assays allow us to simultaneously measure two different molecular features of the same cell, enabling new insights into cellular heterogeneity, cell development and diseases. However, most existing methods suffer from inaccurate dimensionality reduction for the joint-modality data, hindering their discovery of novel or rare cell subpopulations.

Results
Here, we present VIMCCA, a computational framework based on variational-assisted multi-view canonical correlation analysis to integrate paired multimodal single-cell data. Our statistical model uses a common latent variable to interpret the common source of variances in two different data modalities. Our approach jointly learns an inference model and two modality-specific non-linear models by leveraging variational inference and deep learning. We perform VIMCCA and compare it with 10 existing state-of-the-art algorithms on four paired multi-modal datasets sequenced by different protocols. Results demonstrate that VIMCCA facilitates integrating various types of joint-modality data, thus leading to more reliable and accurate downstream analysis. VIMCCA improves our ability to identify novel or rare cell subtypes compared to existing widely used methods. Besides, it can also facilitate inferring cell lineage based on joint-modality profiles.

Availability and implementation
The VIMCCA algorithm has been implemented in our toolkit package scbean (≥0.5.0), and its code has been archived at https://github.com/jhu99/scbean under MIT license.

Supplementary information
Supplementary data are available at Bioinformatics online.
A practicable estimation of opening angle of dust torus in Type-1.9 AGN with double-peaked broad Hα
Authors: Zhang Xue-Guang 
Published: January 2023

ABSTRACT
In this manuscript, an independent method is proposed to estimate opening angle of dust torus in AGN, through unique properties of Type-1.9 AGN with double-peaked broad Hα (Type-1.9 DPAGN) coming from central accretion disc. Type-1.9 AGN without broad Hβ can be expected by the commonly accepted unified model of AGN, considering central BLRs seriously obscured by dust torus with its upper boundary in the line of sight. For the unique Type-1.9 DPAGN, accretion disc originations of double-peaked broad Hα can be applied to determine the inclination angle of the central accretion disc, which is well accepted as substitute of the half opening angle of the central dust torus. Then, among low redshift Type-1.9 DPAGN in SDSS, SDSS J1607+3319 at redshift 0.063 is collected, and the half opening angle of the central dust torus is determined to be around 46 ± 4°, after considering the disfavoured BBH system to explain the double-peaked broad Hα through long-term none variabilities and disfavoured local physical conditions to explain the disappearance of broad Hβ through virial BH mass properties. The results indicate that more detailed studying on dust torus of AGN can be appropriately done through Type-1.9 DPAGN in the near future.
The Gaia view of the Cepheus OB2 association
Authors: Szilágyi Máté , Kun Mária , Ábrahám Péter , Marton Gábor 
Published: January 2023

ABSTRACT
OB associations, birthplaces of the most luminous stars, are key objects for understanding the formation of high-mass stars and their effects on their environments. The aim of this work is to explore the structure and kinematics of the Cepheus OB2 association and characterize the history of star formation in the region – in particular, the role of the Cepheus Bubble, surrounding Cepheus OB2. Based on Gaia DR3 data, we study the spatial and age distribution and kinematics of young stars in the region. We select candidate pre-main-sequence stars in the MG versus GBP−GRP colour–magnitude diagram, and using a clustering algorithm, we identify 13 stellar groups belonging to Cep OB2. Four groups, consisting of 10–13 Myr old low- and intermediate-mass stars, are located in the interior of the bubble and are part of the oldest subsystem of the association Cep OB2a. Younger groups are found on the periphery. The tangential velocities suggest that some groups on the periphery were born in an expanding system of star-forming clouds, whereas others have been formed due to the collision of their parent cloud with the expanding bubble.
ExoMol line lists – L: high-resolution line lists of H3+, H2D+, D2H+, and D3+
Authors: Bowesman Charles A , Mizus Irina I , Zobov Nikolay F , Polyansky Oleg L , Sarka János , Poirier Bill , Pezzella Marco , Yurchenko Sergei N , Tennyson Jonathan 
Published: January 2023

ABSTRACT
New MiZo line lists are presented for the D2H+ and D$_3^+$ isotopologues of H$_3^+$. These line lists plus the existing H$_3^+$ MiZATeP and the ST H2D+ line lists are updated using empirical energy levels generated using the marvel procedure for H$_3^+$, H2D+, and D2H+, and effective Hamiltonian energies for D$_3^+$ for which there is significantly less laboratory data available. These updates allow accurate frequencies for far infrared lines for these species to be predicted. Assignments of the energy levels of H$_3^+$ and D$_3^+$ are extended using a combination of high accuracy variational calculations and analysis of transition intensities. All line lists are made av ailable via www.exomol.com.
Respiratory Exposure to Thirdhand Cigarette Smoke Increases Concentrations of Urinary Metabolites of Nicotine
Authors: Pratt Kelly , Hilty Andrew , Jacob Peyton , Schick Suzaynn F 
Published: January 2023

Abstract

Introduction
The aims of this study were to characterize particle size in a thirdhand smoke (THS) aerosol and measure the effects of controlled inhalational exposure to THS on biomarkers of tobacco smoke exposure, inflammation, and oxidative stress in human subjects. Secondhand cigarette smoke changes physically and chemically after release into the environment. Some of the resulting chemicals persist indoors as thirdhand cigarette smoke. THS that is sorbed to surfaces can emit particles back into the air.

Aims and Methods
Smoke particle size was measured with a scanning mobility particle sizer and condensation particle counter. Using a crossover study design, 18 healthy nonsmokers received a 3-hour inhalational exposure to THS and to filtered, conditioned air. THS was generated with a smoking machine and aged overnight in a chamber. The chamber was flushed with clean air to create the THS aerosol. The tobacco smoke metabolites cotinine, 3-hydroxycotinine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) were measured in urine. Vascular endothelial growth factor and interleukin-6 in plasma, and 8-isoprostane in urine, were measured using enzyme-linked immunosorbent assay kits.

Results
Mean smoke particle size increased with aging (171 to 265 nm). We found significant increases in urinary cotinine and 3-hydroxycotinine after 3 hours of exposure to THS and no significant increases in NNAL, interleukin-6, vascular endothelial growth factor or 8-isoprostane.

Conclusions
Acute inhalational exposure to 22-hour old tobacco smoke aerosol caused increases in the metabolites of nicotine but not the metabolites of the tobacco-specific nitrosamine NNK (4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone). This corroborates the utility of cotinine and NNAL for secondhand and THS exposure screening.

Implications
This study shows that a 3-hour inhalational exposure to the tobacco smoke aerosol that forms in a room that has been smoked in and left unventilated overnight causes increases in urinary metabolites of nicotine, but not of the tobacco-specific nitrosamine NNK. This suggests that cleaning personnel and others who live and work in rooms polluted with aged or thirdhand cigarette smoke regularly may have inhalational exposures and potential health effects related to their exposure to nicotine and other smoke toxicants.
Product Market Competition, Labor Mobility, and the Cross-Section of Stock Returns
Authors: Ahmed Shamim , Bu Ziwen , Ye Xiaoxia 
Published: January 2023

Abstract
This paper explores the impact of product market competition on the positive relation between labor mobility (LM) and future returns. We develop a production-based model and formalize the intuition that low exposure to systematic risk in a concentrated industry limits LM’s amplifying effect on operating leverage. Therefore, the model predicts a stronger positive relation between LM and expected returns for firms in competitive industries. Consistent with the model’s prediction, we empirically find that LM predicts returns only among firms in competitive industries. This evidence suggests that the intensity of competition in firms’ product market potentially drives the positive LM-return relation. (JEL G12, G14, J69)
Authors have furnished an Internet Appendix, which is available on the Oxford University Press Web site next to the link to the final published paper online.
miR‐872‐5p/FOXO3a/Wnt signaling feed‐forward loop promotes proliferation of endogenous neural stem cells after spinal cord ischemia–reperfusion injury in rats
Authors: Li Yuanyuan , Zhang Shaoqiong , Cui Kaile , Cao Linyan , Fan Yiting , Fang Bo 
Published: January 2023

AbstractThe activation of endogenous neural stem cells (NSCs) is considered an important mechanism of neural repair after mechanical spinal cord injury; however, whether endogenous NSC proliferation can also occur after spinal cord ischemia–reperfusion injury (SCIRI) remains unclear. In this study, we aimed to verify the existence of endogenous NSC proliferation after SCIRI and explore the underlying molecular mechanism. NSC proliferation was observed after SCIRI in vivo and oxygen–glucose deprivation and reperfusion (OGD/R) in vitro, accompanied by a decrease in forkhead box protein O 3a (FOXO3a) expression. This downward trend was regulated by the increased expression of microRNA‐872‐5p (miR‐872‐5p). miR‐872‐5p affected NSC proliferation by targeting FOXO3a to increase the expression of β‐catenin and T‐cell factor 4 (TCF4). In addition, TCF4 in turn acted as a transcription factor to increase the expression level of miR‐872‐5p, and knockdown of FOXO3a enhanced the binding of TCF4 to the miR‐872‐5p promoter. In conclusion, SCIRI in vivo and OGD/R in vitro stimulated the miR‐872‐5p/FOXO3a/β‐catenin‐TCF4 pathway, thereby promoting NSC proliferation. At the same time, FOXO3a affected TCF4 transcription factor activity and miR‐872‐5p expression, forming a positive feedback loop that promotes NSC proliferation.
Compression Screw Fixation for Pediatric Olecranon Fractures
Authors: Mun Frederick , Suresh Krishna V. , Hayashi Brooke , Margalit Adam , Sponseller Paul D. , Lee R. Jay 
Published: January 2023

Background:
Pediatric olecranon fractures can be treated with several methods of fixation. Though postoperative outcomes of various fixation techniques, including cannulated intramedullary screws, have been described in adults, functional and radiographic outcomes of screw fixation in pediatric patients are unclear. In this study, we assessed clinical, radiographic, functional, and patient-reported outcomes of pediatric olecranon fractures treated with compression screw fixation.

Methods:
We retrospectively identified 37 patients aged 16 years or younger with a total of 40 olecranon fractures treated with screw fixation at our level-1 trauma center between April 2005 and April 2022. From medical records, we extracted data on demographic characteristics, time to radiographic union, range of elbow motion at final follow-up, and complications during the follow-up period. Patient-reported outcomes were evaluated using the Quick Disabilities of the Arm, Shoulder, and Hand and Patient-Reported Outcomes Measurement Information System Pediatric Upper Extremity Short Form 8a measures.

Results:
There were no malunions or nonunions at the final mean follow-up of 140 days (range, 26 to 614 d). Four patients had implant failure (11%), of whom 3 experienced fracture union with no loss of fixation or need for revision surgery. One patient underwent a revision for fracture malreduction. Screw prominence was documented in 1 patient. Instrumentation was removed at our institution for 33 of 40 fractures. Mean time to radiographic union was 53 days (range, 20 to 168 d). Postoperative range of motion at the most recent follow-up visit showed a mean extension deficit of 6 degrees (range, 0–30 degrees) and mean flexion of 134 degrees (range, 60–150 degrees). At the final follow-up, the mean (±SD) Quick Disabilities of the Arm, Shoulder, and Hand score was 4.2±8.0, and the mean Patient-Reported Outcomes Measurement Information System score was 37±1.5, indicating good function and patient satisfaction.

Conclusions:
All 37 patients in our series had excellent radiographic, functional, and patient-reported outcomes after screw fixation. We observed no cases of nonunion or malunion, growth disturbance, or refracture. These results suggest that screw fixation is a safe and effective option for pediatric olecranon fractures.

Level of Evidence:
Level IV, case series.