bluuebunny/crossref_metadata_2025_split huggingface dataset:
Derivation and Validation of a Risk Factor Model to Identify Medical Inpatients at Risk for Venous Thromboembolism
Authors: Rothberg Michael B. , Hamilton Aaron C. , Greene M. Todd , Fox Jacqueline , Lisheba Oleg , Milinovich Alex , Gautier Thomas N. , Kim Priscilla , Kaatz Scott , Hu Bo 
Published: November 2021

Abstract
Background Venous thromboembolism (VTE) prophylaxis is recommended for hospitalized medical patients at high risk for VTE. Multiple risk assessment models exist, but few have been compared in large datasets.
Methods We constructed a derivation cohort using 6 years of data from 12 hospitals to identify risk factors associated with developing VTE within 14 days of admission. VTE was identified using a complex algorithm combining administrative codes and clinical data. We developed a multivariable prediction model and applied it to three validation cohorts: a temporal cohort, including two additional years, a cross-validation, in which we refit the model excluding one hospital each time, applying the refitted model to the holdout hospital, and an external cohort. Performance was evaluated using the C-statistic.
Results The derivation cohort included 155,026 patients with a 14-day VTE rate of 0.68%. The final multivariable model contained 13 patient risk factors. The model had an optimism corrected C-statistic of 0.79 and good calibration. The temporal validation cohort included 53,210 patients, with a VTE rate of 0.64%; the external cohort had 23,413 patients and a rate of 0.49%. Based on the C-statistic, the Cleveland Clinic Model (CCM) outperformed both the Padua (0.76 vs. 0.72, p = 0.002) and IMPROVE (0.68, p < 0.001) models in the temporal cohort. C-statistics for the CCM at individual hospitals ranged from 0.68 to 0.78. In the external cohort, the CCM C-statistic was similar to Padua (0.70 vs. 0.66, p = 0.17) and outperformed IMPROVE (0.59, p < 0.001).
Conclusion A new VTE risk assessment model outperformed recommended models.
Concise Syntheses of Alternariol, Alternariol-9-monomethyl Ether and Their D3-Isotopologues
Authors: Sebald Michael A. , Gebauer Julian , Koch Matthias 
Published: November 2021

AbstractAlternariol (AOH) and alternariol-9-monomethyl ether (AME) are two secondary metabolites of Alternaria fungi which can be found in various foodstuffs like tomatoes, nuts, and grains. Due to their toxicity and potential mutagenic activity the need for the development of high-throughput methods for the supervision of AOH and AME levels is of increasing interest. As the availability of both native and labeled AOH and AME analytical standards is very limited, we herein present a novel and concise approach towards their synthesis by employing a ruthenium-catalyzed ortho-arylation as the key step. Finally, we demonstrate their suitability as internal standards in stable-isotope dilution assay (SIDA)-HPLC-MS/MS analysis, a technique commonly used for the quantification of natural products in food and feed.
Palladium-Catalyzed [1,3]-O-to-N Rearrangement of Allylic ­Imidates
Authors: Kuroda Yusuke 
Published: November 2021

AbstractThe rearrangement of allylic imidates is a powerful transformation for the synthesis of allylic amines. Whereas the [3,3]-rearrangement has long been established as the Overman rearrangement, the corresponding [1,3]-rearrangement is rare. Here, we report a novel strategy for the [1,3]-rearrangement of imidates based on the oxidative addition of a palladium(0) catalyst to an allylic imidate. Structurally distinct allylic amides could be synthesized under mild and base-free conditions.
Motor-independent retraction of type IV pili is governed by an inherent property of the pilus filament
Authors: Chlebek Jennifer L. , Denise Rémi , Craig Lisa , Dalia Ankur B. 
Published: November 2021

Significance
Extracellular pilus filaments are critical for the virulence and persistence of many bacterial pathogens. A crucial property of these filaments is their ability to dynamically extend and retract from the bacterial surface. A detailed mechanistic understanding of pilus retraction, however, remains lacking in many systems. Here, we reveal that pilus retraction is an inherent property of the pilus filament. These observations are broadly relevant to diverse pilus systems, including those in many bacterial pathogens, and may help inform therapeutic strategies that aim to target pilus dynamic activity.
Regulation of TLR4 signaling through the TRAF6/sNASP axis by reversible phosphorylation mediated by CK2 and PP4
Authors: Yang Feng-Ming , Chang Hui-Ming , Yeh Edward T. H. 
Published: November 2021

SignificanceTNF receptor–associated factor 6 (TRAF6) is a key signaling molecule in innate immune response. Here, we identify a previously unrecognized role of protein phosphatase 4 in the regulation of TRAF6 activation through dephosphorylation of a native TRAF6 inhibitor, somatic nuclear autoantigenic sperm protein, to resolve the inflammatory response initiated by Toll-like receptor 4.
Synergistic regulation of nonbinary molecular switches by protonation and light
Authors: Zhang Xin , Yang Yu-Dong , Lu Zhi-Hao , Xu Li-Jin , Sessler Jonathan L. , Gong Han-Yuan 
Published: November 2021

SignificanceThe work reported here could allow for better control over the storage and processing of information at the molecular level, as well as an increased understanding of the determinants that regulate the function of molecular switches and logic devices. We report switchable molecular shuttles that are regulated synergistically by both protonation and light. This allows hierarchical control over structure in both a kinetic and thermodynamic sense. The shuttles were constructed using azobenzene-4,4′-dicarboxyate dianions22−or 4,4′-stilbenedicarboxyate dianions32−as the threading elements and a tetracationic macrocycle, cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-di-methylenebenzene) (referred as the Texas-sized molecular box;14+), as the encircling wheel. This present dual input strategy provides a complement to more traditional orthogonal stimulus-based approaches to molecular switching.
Language attitudes among mobile speakers
Authors: Marzo Stefania , Natale Silvia , De Pascale Stefano 
Published: November 2021

Abstract
This paper explores the variability of belief systems that underpin standardization dynamics by investigating the effect of international mobility on attitudes of Italians towards standard and regional Italian. Research has shown that standard Italian is converging toward spoken or regional varieties, leading to the emergence of neo-standard Italian. While previous studies focused exclusively on Italians in Italy, we investigate how attitudes towards neo-standard Italian develop for Italians abroad. A matched-guise experiment carried out with Italian speakers living in Switzerland and Belgium is compared to an experiment carried out in Italy. Our results show a change in the social meaning of standardization among mobile communities, as Italians living abroad seem to neutralize the prestige that Italians in Italy attach to Milanese Italian and instead upgrade Neapolitan Italian, which had been downgraded by young Italians in the previous experiment.
From an indicator to a marker
Authors: Nesbitt Monica 
Published: November 2021

Abstract
One of the most distinctive regional dialects of North American English – the Northern Cities Shift (NCS), situated in the Inland North dialect area – is receding. Recent work suggests that it has risen as a linguistic marker in upstate New York – at the dialect area’s periphery. This paper reports the results of an online implicit attitudes survey which indicates that Michiganders also negatively evaluate the NCS, rating it accented, and nasally, but indicative of a hard worker. I also find that when listeners hear NCS features in the speech of a young speaker, there are added meanings of uneducated and incorrect/bad English. These results suggest that perhaps changing attitudes and rising awareness can account for NCS recession in the dialect area – a finding that appears to echo recent reports of dialect decline in other areas of North America.
New and old social meanings in urban and rural Sweden
Authors: Nilsson Jenny , Wenner Lena , Leinonen Therese , Thorselius Eva 
Published: November 2021

Abstract
In this study, we focus on the use of [ɨ:] (sometimes referred to as damped /i/). This variant has different connotations in different parts of Sweden. In some rural areas, it has traditionally indexed place, whereas it has indexed class and gender in Sweden’s second largest city Gothenburg (Bruce 2010, Gross 2018, Svahn & Nilsson 2014). Previous studies have shown that in the urbanization of Sweden, the urban variant [ɨ:] has spread from city centers to other locations in Sweden. In the process, it has begun to index urbanity and modernity (see e.g. Svahn & Nilsson 2014). But what happens to this feature in urban Gothenburg where it traditionally has indexed class and gender alongside place? Does the changing social meaning in other locations also affect Gothenburg?
Complex optical elements for scanning helium microscopy through 3D printing
Authors: Bergin M , Myles T A , Radić A , Hatchwell C J , Lambrick S M , Ward D J , Eder S D , Fahy A , Barr M , Dastoor P C 
Published: November 2021

Abstract
Developing the next generation of scanning helium microscopes requires the fabrication of optical elements with complex internal geometries. We show that resin stereolithography (SLA) 3D printing produces low-cost components with the requisite convoluted structures whilst achieving the required vacuum properties, even without in situ baking. As a case study, a redesigned pinhole plate optical element of an existing scanning helium microscope was fabricated using SLA 3D printing. In comparison to the original machined component, the new optical element minimised the key sources of background signal, in particular multiple scattering and the secondary effusive beam.
Interactions in active colloids
Authors: Liebchen Benno , Mukhopadhyay Aritra K 
Published: November 2021

Abstract
The past two decades have seen a remarkable progress in the development of synthetic colloidal agents which are capable of creating directed motion in an unbiased environment at the microscale. These self-propelling particles are often praised for their enormous potential to self-organize into dynamic nonequilibrium structures such as living clusters, synchronized super-rotor structures or self-propelling molecules featuring a complexity which is rarely found outside of the living world. However, the precise mechanisms underlying the formation and dynamics of many of these structures are still barely understood, which is likely to hinge on the gaps in our understanding of how active colloids interact. In particular, besides showing comparatively short-ranged interactions which are well known from passive colloids (Van der Waals, electrostatic etc), active colloids show novel hydrodynamic interactions as well as phoretic and substrate-mediated ‘osmotic’ cross-interactions which hinge on the action of the phoretic field gradients which are induced by the colloids on other colloids in the system. The present article discusses the complexity and the intriguing properties of these interactions which in general are long-ranged, non-instantaneous, non-pairwise and non-reciprocal and which may serve as key ingredients for the design of future nonequilibrium colloidal materials. Besides providing a brief overview on the state of the art of our understanding of these interactions a key aim of this review is to emphasize open key questions and corresponding open challenges.
An unsupervised bearing fault diagnosis based on deep subdomain adaptation under noise and variable load condition
Authors: Ghorvei Mohammadreza , Kavianpour Mohammadreza , Beheshti Mohammad TH , Ramezani Amin 
Published: November 2021

Abstract
Deep learning-based approaches for diagnosing bearing faults have attracted considerable attention in the last years. However, in real-world applications, these methods face challenges. For proper training of these models, a considerable amount of labeled data are necessary, and due to limitations in industry, obtaining this amount of data may not be possible. Because of load variations, the distribution of training and test data may vary, which reduces the accuracy of the trained model for various working conditions. Furthermore, noise has a significant impact on bearing fault diagnosis performance in real-world industrial applications. This study introduced the deep subdomain adaptation convolutional neural network (DSACNN) method to overcome these challenges in real scenarios. The local maximum mean discrepancy (LMMD) method reduces the difference between each class distribution in the source and target domains. We validated our proposed method by CWRU bearing dataset under various loads and noise with different SNRs. The results show that DSACNN outperforms other comparative methods in anti-noise performance and reduction of domain distribution discrepancies.
High sensitivity UV photodetectors based on low-cost TiO2 P25-graphene hybrids
Authors: Chen Zilong , Zhu Zhaowei , Huang Liting , Cheng Chuantong 
Published: November 2021

Abstract
Photodetectors (PDs) are the core component of multiple commercial optical sensing systems. Currently, the detection of ultra-weak ultraviolet (UV) optical signals is becoming increasingly important for wide range of applications in civil and military industries. Due to its wide band gap, low cost, and long-term stability, titanium dioxide (TiO2) is an attractive material for UV photodetection. A kind of low-cost TiO2 nanomaterial (named as P25) manufactured by flame hydrolysis is an easily available commercial material. However, a low-cost and high-sensitivity UV PD based on P25 has not been achieved until now. Here, a hybrid UV PD with monolayer CVD graphene covered by a thin film of P25 quantum dots was prepared for the first time, and its responsivity was approximately 105 A W−1 at 365 nm wavelength. The response time and recovery time of the UV PD were 32.6 s and 34 s, respectively. Strong light absorption and photocontrolled oxygen adsorption of the P25 layer resulted in high UV sensitivity. The UV PDs proposed in this work have great potential for commercialization due to their low cost and high sensitivity.
High polarization and wake-up free ferroelectric characteristics in ultrathin Hf0.5Zr0.5O2 devices by control of oxygen-deficient layer
Authors: Yadav Manoj , Kashir Alireza , Oh Seungyeol , Nikam Revannath Dnyandeo , Kim Hyungwoo , Jang Hojung , Hwang Hyunsang 
Published: November 2021

Abstract
The formation of an interfacial layer is believed to affect the ferroelectric properties in HfO2 based ferroelectric devices. The atomic layer deposited devices continue suffering from a poor bottom interfacial condition, since the formation of bottom interface is severely affected by atomic layer deposition and annealing process. Herein, the formation of bottom interfacial layer was controlled through deposition of different bottom electrodes (BE) in device structure W/HZO/BE. The transmission electron microscopy (TEM) and x-ray photoelectron spectroscopy analyses done on devices W/HZO/W and W/HZO/IrO
x
suggest the strong effect of IrO
x
in controlling bottom interfacial layer formation while W/HZO/W badly suffers from interfacial layer formation. W/HZO/IrO
x
devices show high remnant polarization (2P
r) ∼ 53 μC cm−2, wake-up free endurance cycling characteristics, low leakage current with demonstration of low annealing temperature requirement as low as 350 °C, valuable for back-end-of-line integration. Further, sub-5 nm HZO thicknesses-based W/HZO/IrO
x
devices demonstrate high 2P
r and wake-up free ferroelectric characteristics, which can be promising for low power and high-density memory applications. 2.2 nm, 3 nm, and 4 nm HZO based W/HZO/IrO
x
devices show 2P
r values 13.54, 22.4, 38.23 μC cm−2 at 4 MV cm−1 and 19.96, 30.17, 48.34 μC cm−2 at 5 MV cm−1, respectively, with demonstration of wake-up free ferroelectric characteristics.
Hierarchical coral-like MnCo2O4.5@Co–Ni LDH composites on Ni foam as promising electrodes for high-performance supercapacitor
Authors: Ji Yajun , Chen Fei , Tan Shufen , Ren Fuyong 
Published: November 2021

Abstract
Transition metal oxides are generally designed as hybrid nanostructures with high performance for supercapacitors by enjoying the advantages of various electroactive materials. In this paper, a convenient and efficient route had been proposed to prepare hierarchical coral-like MnCo2O4.5@Co–Ni LDH composites on Ni foam, in which MnCo2O4.5 nanowires were enlaced with ultrathin Co–Ni layered double hydroxides nanosheets to achieve high capacity electrodes for supercapacitors. Due to the synergistic effect of shell Co–Ni LDH and core MnCo2O4.5, the outstanding electrochemical performance in three-electrode configuration was triggered (high area capacitance of 5.08 F cm−2 at 3 mA cm−2 and excellent rate capability of maintaining 61.69% at 20 mA cm−2), which is superior to those of MnCo2O4.5, Co–Ni LDH and other metal oxides based composites reported. Meanwhile, the as-prepared hierarchical MnCo2O4.5@Co–Ni LDH electrode delivered improved electrical conductivity than that of pristine MnCo2O4.5. Furthermore, the as-constructed asymmetric supercapacitor using MnCo2O4.5@Co–Ni LDH as positive and activated carbon as negative electrode presented a rather high energy density of 220 μWh cm−2 at 2400 μW cm−2 and extraordinary cycling durability with the 100.0% capacitance retention over 8000 cycles at 20 mA cm−2, demonstrating the best electrochemical performance compared to other asymmetric supercapacitors using metal oxides based composites as positive electrode material. It can be expected that the obtained MnCo2O4.5@Co–Ni LDH could be used as the high performance and cost-effective electrode in supercapacitors.
Local well-posedness of the coupled Yang–Mills and Dirac system for low regularity data
Authors: Pecher Hartmut 
Published: November 2021

Abstract
We consider the classical Yang–Mills system coupled with a Dirac equation in 3 + 1 dimensions. Using that most of the nonlinear terms fulfill a null condition we prove local well-posedness for data with minimal regularity assumptions. This problem for smooth data was solved forty years ago by Choquet-Bruhat and Christodoulou. Our result generalises a similar result for the Yang–Mills equation by Selberg and Tesfahun.
A new DOSXYZnrc method for Monte Carlo simulations of 4D dose distributions
Authors: Su S , Atwal P , Lobo J , Duzenli C , Popescu I A 
Published: November 2021

Abstract
The purpose of this study is to present a novel method for generating Monte Carlo 4D dose distributions in a single DOSXYZnrc simulation. During a standard simulation, individual energy deposition events are summed up to generate a 3D dose distribution and their associated temporal information is discarded. This means that in order to determine dose distributions as a function of time, separate simulations would have to be run for each interval of interest. Consequently, it has not been clinically feasible until now to routinely perform Monte Carlo simulations of dose rate, time-resolved dose accumulation, or electronic portal imaging devices (EPID) cine-mode images for volumetric modulated arc therapy (VMAT) plans. To overcome this limitation, we modified DOSXYZnrc and defined new input and output variables that allow a time-like parameter associated with each particle history to be binned in a user-defined manner. Under the new code version, computation times are the same as for a standard simulation, and the time-integrated 4D dose is identical to the standard 3D dose. We present a comparison of scintillator measurements and Monte Carlo simulations for dose rate during a VMAT beam delivery, a study of dose rate in a VMAT total body irradiation plan, and simulations of transit (through-patient) EPID cine-mode images.
Coherent parallelization of universal classical computation
Authors: Perez-Delgado Carlos A , Vinjanampathy Sai 
Published: November 2021

Abstract
Previously, higher-order Hamiltonians (HoH) had been shown to offer an advantage in both metrology and quantum energy storage. Here, we axiomatize a model of computation that allows us to consider such Hamiltonians for the purposes of computation. From this axiomatic model, we formally prove that an HoH-based algorithm can gain up to a quadratic speed-up over classical sequential algorithms—for any possible classical computation. We show how our axiomatic model is grounded in the same physics as that used in HoH-based quantum advantage for metrology and battery charging. Thus we argue that any advance in implementing HoH-based quantum advantage in those scenarios can be co-opted for the purpose of speeding up computation.
Large violations in Kochen Specker contextuality and their applications
Authors: Ramanathan Ravishankar , Liu Yuan , Horodecki Paweł 
Published: November 2021

Abstract
It is of interest to study how contextual quantum mechanics is, in terms of the violation of Kochen Specker state-independent and state-dependent non-contextuality inequalities. We present state-independent non-contextuality inequalities with large violations, in particular, we exploit a connection between Kochen–Specker proofs and pseudo-telepathy games to show KS proofs in Hilbert spaces of dimension d ⩾ 217 with the ratio of quantum value to classical bias being

O

(

d

/
log

d

)

. We study the properties of this KS set and show applications of the large violation. It has been recently shown that Kochen–Specker proofs always consist of substructures of state-dependent contextuality proofs called 01-gadgets. We show a one-to-one connection between 01-gadgets in

C

d

and Hardy paradoxes for the maximally entangled state in

C

d

⊗

C

d

. We use this connection to construct large violation 01-gadgets between arbitrary vectors in

C

d

, as well as novel Hardy paradoxes for the maximally entangled state in

C

d

⊗

C

d

, and give applications of these constructions. As a technical result, we show that the minimum dimension of the faithful orthogonal representation of a graph in

R

d

is not a graph monotone, a result that may be of independent interest.
A Low-rank Approach to Image Defringing
Authors: Prunet Simon 
Published: November 2021

Abstract
In this work, we revisit the problem of interference fringe patterns in CCD chips occurring in near-infrared bands due to multiple light reflections within the chip. We briefly discuss the traditional approaches that were developed to remove these patterns from science images, and mention their limitations. We then introduce a new method to globally estimate the fringe patterns in a collection of science images without additional external data, allowing for some variation of the patterns between images. We demonstrate this new method on near-infrared images taken by the CFHT wide-field imager Megacam.