bluuebunny/crossref_metadata_2025 huggingface dataset:
Neural network and decision tree-based machine learning tools to analyse the anion-responsive behaviours of emissive Ru(ii)–terpyridine complexes
Authors: Sahoo Anik , Bhattacharya Sohini , Jana Subhamoy , Baitalik Sujoy
Published: December 2022

Artificial neural network, adaptive neuro-fuzzy inference and decision tree regression are implemented to analyse the anion-responsive behaviours of emissive Ru(ii)–terpyridine complexes.
Molybdenum precursor delivery approaches in atomic layer deposition of α-MoO3
Authors: Lorenzo Daniela , Tobaldi David Maria , Tasco Vittorianna , Esposito Marco , Passaseo Adriana , Cuscunà Massimo
Published: December 2022

We have developed a time-saving alternative plasma enhanced atomic layer deposition process for high-quality α-MoO3 thin films which are suitable for exfoliation.
In silico environmental risk assessment of fate and effects of pharmaceuticals and their TPs generated and treated by coupling tertiary processes in hospital wastewater
Authors: Della-Flora Alexandre , Scunderlick Davi , Wilde Marcelo L. , de A. Gomes Adriano , Lima Eder C. , Sirtori Carla
Published: December 2022

The solar photo-Fenton process leads to the formation of transformation products (TPs) that are new compounds with an unknown chemical, physical, and biological characteristics.
Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization
Authors: Orvoš Jakub , Fischer Róbert , Brachňaková Barbora , Pavlik Ján , Moncoľ Ján , Šagátová Alexandra , Fronc Marek , Kožíšek Jozef , Routaboul Lucie , Bousseksou Azzedine , Šalitroš Ivan
Published: December 2022

Series of phenylazo substituted pyridyl-benzimidazole ligands and their ferrous complexes have been prepared. Photoirradiation experiments allowed to investigate E–Z isomerisation of ligands, which was further rationalized by computational study.
Heat-set supramolecular polymer gel and decomposition by guests
Authors: Singh Surajit , Shit Ananda , Mondal Sahabaj , Ibukun Olamilekan Joseph , Haldar Debasish
Published: December 2022

A degradable, heat-set fibrillar gel by supramolecular polymer in DMF based on stearic acid appended l-lysine, β-cyclodextrin and potassium carbonate has been developed. The heat-set stable, irreversible gel decomposed by aromatic guest molecules.
Experimentally informed structure optimization of amorphous TiO2 films grown by atomic layer deposition
Authors: Meng Jun , Abbasi Mehrdad , Dong Yutao , Carlos Corey , Wang Xudong , Hwang Jinwoo , Morgan Dane
Published: December 2022

Medium-range ordering within the amorphous TiO2 thin film is revealed by 4-D STEM and the atomic configuration is determined by multi-objective structure optimization StructOpt guided by experimental data and theoretical constraints.
Humidity sensors based on molecular rectifiers
Authors: Sullivan Ryan P. , Castellanos-Trejo Eduardo , Ma Renate , Welker Mark E. , Jurchescu Oana D.
Published: December 2022

This article reports on humidity sensors based on molecular rectifiers. Their operation relies on modifications in the height and shape of the tunneling barrier upon absorption of water molecules.
Transformation mechanism of high-valence metal sites for the optimization of Co- and Ni-based OER catalysts in an alkaline environment: recent progress and perspectives
Authors: Qiao Chen , Hao Yingying , Cao Chuanbao , Zhang JiaTao
Published: December 2022

The transformation mechanism and role of high-valence metal sites in OERs are summarized and emphasized. The design of OER catalysts based on the efficient transformation of high-valence sites is an effective way to achieve high-efficiency OERs.
Piezoelectricity-modulated optical recombination dynamics of monolayer-MoS2/GaN-film heterostructures
Authors: Wang Baoyu , He Jr-Hau , Yu Bin , He Xin , Xue Fei
Published: December 2022

Using vertically stacked monolayer-MoS2/GaN-film heterostructures as a model system, we examine the piezoelectricity-modulated carrier recombination dynamics.
Grain boundary sliding and distortion on a nanosecond timescale induce trap states in CsPbBr3: ab initio investigation with machine learning force field
Authors: Liu Dongyu , Wu Yifan , Vasenko Andrey S. , Prezhdo Oleg V.
Published: December 2022

Nanosecond molecular dynamics demonstrate spontaneous sliding of CsPbBr3 grain boundary eliminates the shallow traps owing to Pb–Pb interactions, but subsequent structural distortions recreate the Pb–Pb coordination and generate even deeper traps.
Construction of 1,2,4-triazole-fused heterocycles via an amine oxidase-inspired catalyst
Authors: Thorve Pradip Ramdas , Maji Kakoli , Maji Biplab
Published: December 2022

An amine-oxidase-inspired catalyst enables the coupling of benzylic amines with heteroaryl hydrazines under mild aerobic conditions. Diverse 1,2,4-triazoles were synthesized in high yields and selectivities.
Insights into chalcone analogues with potential as antioxidant additives in diesel–biodiesel blends
Authors: Borges Igor D. , Faria Eduardo C. M. , Custódio Jean F. M. , Duarte Vitor S. , Fernandes Fernanda S. , Alonso Christian G. , Sanches-Neto Flávio O. , Carvalho-Silva Valter H. , Oliveira Guilherme R. , Napolitano Hamilton B.
Published: December 2022

Biodiesel production is one of the promising strategies to reduce diesel consumption and an important contribution to climate change.
Capillary electrophoresis mass spectrometry identifies new isomers of inositol pyrophosphates in mammalian tissues
Authors: Qiu Danye , Gu Chunfang , Liu Guizhen , Ritter Kevin , Eisenbeis Verena B. , Bittner Tamara , Gruzdev Artiom , Seidel Lea , Bengsch Bertram , Shears Stephen B. , Jessen Henning J.
Published: December 2022

Capillary electrophoresis mass spectrometry demonstrates that the inositol pyrophosphates 2-PP-InsP5 and 4- or 6-PP-InsP5 exist in different mammalian tissues in addition to canonical isomers.
Bifunctional heterogeneous catalysts from biomass and waste polysaccharides for the conversion of CO2 into cyclic carbonates
Authors: Parodi Adriano , Vagnoni Martina , Frontali Lucia , Albonetti Cristiano , De Giorgio Francesca , Mezzi Alessio , Petri Elisabetta , Samorì Chiara , Soavi Francesca , Ruani Giampiero , Galletti Paola
Published: December 2022

A four-step method was applied to biomass and waste polysaccharides, obtaining char-based bifunctional catalysts active in CO2 conversion into cyclic carbonates.
A π-conjugated dual-functional redox mediator facilitates the construction of dendrite-free lithium–oxygen batteries
Authors: Li Chu-Yue , Wu Min-Sheng , Chen Wei-Rong , Wang Qian-Yan , Rong Yuan-Jia , Zhang Xiao-Ping
Published: December 2022

We present a π-conjugated TBMPSiBr as a dual-functional redox mediator, which can concurrently dissolve Br−/Br3− and in situ produce an organic–inorganic hybrid SEI on the lithium anode to construct dendrite free and long cycle life Li–O2 batteries.
Rationally designed titanium-based metal–organic frameworks for visible-light activated chemiresistive sensing
Authors: Li Hui-Zi , Pan Yu , Li Qiaohong , Lin Qipu , Lin Duoyu , Wang Fei , Xu Gang , Zhang Jian
Published: December 2022

Titanium-based metal–organic framework as visible-light activated chemiresistive sensor.
In situphoto-crosslinked adhesive hydrogel loaded with mesenchymal stem cell-derived extracellular vesicles promotes diabetic wound healing
Authors: Wang Yixi , Song Ping , Wu Lina , Su Zixuan , Gui Xingyu , Gao Canyu , Zhao Hanxing , Wang Yudong , Li Zhengyong , Cen Ying , Pan Bo , Zhang Zhenyu , Zhou Changchun
Published: December 2022

A dopamine-modified GelMA hydrogel was developed to load mesenchymal stem cell-derived extracellular vesicles as a bioactive dressing for diabetic wound healing.
Seeing the complete picture: proteins in top-down mass spectrometry
Authors: Habeck Tanja , Lermyte Frederik
Published: December 2022

Top-down protein mass spectrometry can provide unique insights into protein sequence and structure, including precise proteoform identification and study of protein–ligand and protein–protein interactions. In contrast with the commonly applied bottom-up approach, top-down approaches do not include digestion of the protein of interest into small peptides, but instead rely on the ionization and subsequent fragmentation of intact proteins. As such, it is fundamentally the only way to fully characterize the composition of a proteoform. Here, we provide an overview of how a top-down protein mass spectrometry experiment is performed and point out recent applications from the literature to the reader. While some parts of the top-down workflow are broadly applicable, different research questions are best addressed with specific experimental designs. The most important divide is between studies that prioritize sequence information (i.e., proteoform identification) versus structural information (e.g., conformational studies, or mapping protein–protein or protein–ligand interactions). Another important consideration is whether to work under native or denaturing solution conditions, and the overall complexity of the sample also needs to be taken into account, as it determines whether (chromatographic) separation is required prior to MS analysis. In this review, we aim to provide enough information to support both newcomers and more experienced readers in the decision process of how to answer a potential research question most efficiently and to provide an overview of the methods that exist to answer these questions.
Microbial xylanolytic carbohydrate esterases
Authors: Puchart Vladimír , Biely Peter
Published: December 2022

This article reviews microbial esterases participating in the degradation of the major plant hemicellulose, xylan. The main chain of this polysaccharide built of β-1,4-glycosidically linked xylopyranosyl residues is substituted by other sugars and also partially acetylated. Besides esters of acetic acid, there are two other types of ester linkages in plant xylans. L-Arabinofuranosyl side chains form esters with phenolic acids, predominantly with ferulic acid. The dimerization of ferulic acid residues leads to cross-links connecting the hemicellulose molecules. Ferulic acid cross-links were shown to serve as covalent linkage between lignin and hemicellulose. Another cross-linking between lignin and hemicellulose is provided by esters between the xylan side residues of glucuronic or 4-O-methyl-D-glucurononic acid and lignin alcohols. Regardless of the cross-linking, the side residues prevent xylan main chains from association that leads to crystallization similar to that of cellulose. Simultaneously, xylan decorations hamper the action of enzymes acting on the main chain. The enzymatic breakdown of plant xylan, therefore, requires a concerted action of glycanases attacking the main chain and enzymes catalyzing debranching, called accessory xylanolytic enzymes including xylanolytic esterases. While acetylxylan esterases and feruloyl esterases participate directly in xylan degradation, glucuronoyl esterases catalyze its separation from lignin. The current state of knowledge of diversity, classification and structure–function relationship of these three types of xylanolytic carbohydrate esterases is discussed with emphasis on important aspects of their future research relevant to their industrial applications.
A special issue of Essays in Biochemistry on evolutionary developmental biology
Authors: McGregor Alistair P. , Buffry Alexandra D. , Vroomans Renske M.A.
Published: December 2022

Evolutionary developmental biology (or evo devo) is a broad field that aims to understand how developmental processes evolve and how this underpins phenotypic change and organismal diversification. This encompasses a need to understand theoretical concepts in evolutionary biology and how tissues, cells, genes, proteins and regulatory elements function and evolve. The articles in this special issue review key topics in the field of evo devo including advances in theory and methodology as well as our latest knowledge about molecular, cellular and organismal functionality and diversification.
Big Data Technology Fusion Back Propagation Neural Network in Product Innovation Design Method
Authors: Li Ren , Zeng Qiang
Published: December 2022

With the rapid development of science and technology, the big data market has emerged. In addition to the influence of the modern market environment, more and more enterprises pursue great profits, which requires enterprises to have higher standards for their products. Therefore, product innovation is an inevitable trend. However, product innovation is a comprehensive problem, involving a wide range. Both the characteristics of the product and the consumer should be taken into account. In the design method, it is necessary to pay attention to the interrelation with big data. Firstly, the theory of big data technology is expounded, including the framework and the principle of big data technology, and the classification of data analysis. Secondly, this research explains the process and method of product design, as well as the market‐based research process, and proposes the route of using big data technology for product innovation. Finally, the Microsoft COCO: Common Objects in Context (MS‐COCO) data set is taken as the research object, and ten groups of data are selected. Through the Back Propagation Neural Network (BPNN) model and neural style transfer (NTS) model, the results of the product innovation design method of big data technology are predicted. Two experiments were carried out, namely, the comparison analysis of the prediction accuracy of BPNN and NTS model; the error analysis of BPNN prediction and NTS model, and the final quality assessment of the two products. The final results reveal that: (1) the prediction accuracy of the BPNN is around 95.71%, and the prediction accuracy of the NTS model is about 85.7%. Therefore, the prediction accuracy of the BPNN is obviously higher than that of the NTS model in the product innovation design method. (2) The mean absolute error (MAE) of the prediction of the BPNN model is about 0.08, and the MAE of the prediction of the NTS model is about 0.11. Thus, the error of the BPNN model in the product innovation design method for product prediction is small. Furthermore, based on the BPNN model, the quality assessment of the two products is finally carried out, and the error rate is 0.11% and 0.12% respectively, which is very small. Thereby, the BPNN model has higher accuracy in predicting the product innovation design methods. The big data technology studied here is of great significance to the product innovation design method and has certain research significance for the intelligent and systematic design of products. Combined with the BPNN model, the accuracy of the prediction ability of product innovation can be guaranteed to a certain extent.

This article is protected by copyright. All rights reserved.
The cerium content of the Milky Way as revealed by Gaia DR3 GSP-Spec abundances
Authors: Contursi G. , de Laverny P. , Recio-Blanco A. , Spitoni E. , Palicio P. A. , Poggio E. , Grisoni V. , Cescutti G. , Matteucci F. , Spina L. , Álvarez M. A. , Kordopatis G. , Ordenovic C. , Oreshina-Slezak I. , Zhao H.
Published: December 2022

Context. The recent Gaia third data release contains a homogeneous analysis of millions of high-quality Radial Velocity Spectrometer (RVS) stellar spectra by the GSP-Spec module. This led to the estimation of millions of individual chemical abundances and allows us to chemically map the Milky Way. The published GSP-Spec abundances include three heavy elements produced by neutron-captures in stellar interiors: Ce, Zr, and Nd.

Aims. We study the Galactic content in cerium based on these Gaia/RVS data and discuss the chemical evolution of this element.

Methods. We used a sample of about 30 000 local thermal equilibrium Ce abundances, selected after applying different combinations of GSP-Spec flags. Based on the Gaia DR3 astrometric data and radial velocities, we explore the cerium content in the Milky Way and, in particular, in its halo and disc components.

Results. The high quality of the Ce GSP-Spec abundances is quantified through literature comparisons. We found a rather flat [Ce/Fe] versus [M/H] trend. We also found a flat radial gradient in the disc derived from field stars and, independently, from about 50 open clusters. This agrees with previous studies. The [Ce/Fe] vertical gradient was also estimated. We also report an increasing [Ce/Ca] versus [Ca/H] in the disc, illustrating the late contribution of asymptotic giant branch stars with respect to supernovae of type II. Our cerium abundances in the disc, including the young massive population, are well reproduced by a new three-infall chemical evolution model. In the halo population, the M 4 globular cluster is found to be enriched in cerium. Moreover, 11 stars with cerium abundances belonging to the Thamnos, Helmi Stream, and Gaia-Sausage-Enceladus accreted systems were identified from chemo-dynamical diagnostics. We found that the Helmi Stream might be slightly underabundant in cerium compared to the two other systems.

Conclusions. This work illustrates the high quality of the GSP-Spec chemical abundances, which significantly contribute to unveiling the heavy-element evolution history of the Milky Way.
High-energy particle enhancements in the solar wind upstream Mercury during the first BepiColombo flyby: SERENA/PICAM and MPO-MAG observations
Authors: Alberti T. , Sun W. , Varsani A. , Heyner D. , Orsini S. , Milillo A. , Slavin J. A. , Raines J. M. , Aronica A. , Auster H.-U. , Barabash S. , De Angelis E. , Dandouras I. , Jarvinen R. , Jeszenszky H. , Kallio E. , Kazakov A. , Laky G. , Livi S. , Mangano V. , Massetti S. , Moroni M. , Mura A. , Noschese R. , Plainaki C. , Plaschke F. , Richter I. , Rispoli R. , Sordini R. , Wurz P.
Published: December 2022

Context. The first BepiColombo Mercury flyby offered the unique opportunity to simultaneously characterize the plasma and the magnetic field properties of the solar wind in the vicinity of the innermost planet of the Solar System (0.4 AU).

Aims. In this study, we use plasma observations by SERENA/PICAM and magnetic field measurements by MPO-MAG to characterize the source with intermittent features (with a timescale of a few minutes) at ion energies above 1 keV observed in the solar wind upstream of Mercury.

Methods. The solar wind properties have been investigated by means of low-resolution magnetic field (1 s) and plasma (64 s) data. The minimum variance analysis and the Lundquist force-free model have been used.

Results. The combined analyses demonstrate that the intermittent ion features observed by PICAM at energies above 1 keV can be associated with the passage of an interplanetary magnetic flux rope. We also validate our findings by means of Solar Orbiter observations at a larger distance (0.6 AU).

Conclusions. The core of an interplanetary magnetic flux rope, hitting BepiColombo during its first Mercury flyby, produced high-energy (> -pagination1 keV) intermittent-like particle acceleration clearly distinct from the background solar wind, while at the edges of this interplanetary structure compressional low-energy fluctuations have also been observed.
Exploring the evolution of the particle distribution and the cascade in a moving, expanding emission region in blazar jets
Authors: Zacharias Michael
Published: December 2022

Aims. Models built to explain blazar flares display a broad variety of results. In this work, we study the flare profile induced by a moving and expanding blob, with a special emphasis on γ − γ pair production.

Methods. We first developed a simple semi-analytical model to study the evolution of the particle distribution in the expanding blob and show the influence of the pair production. In a second step, we produced a realistic simulation using the OneHaLe code based upon the parameters of PKS 1510−089.

Results. The applied semi-analytical model shows that the pair production significantly influences the flare evolution, while the opening angle and the expansion can prolong flares considerably. The simulation based on PKS 1510−089 indicates that flares of a moving, expanding blob result in strongly wavelength-dependent light curves that may include delayed, secondary flares.

Conclusions. A moving, expanding blob can cause significant flaring events, with a broad variety in terms of the light curve profiles. High-cadence multiwavelength observations are necessary for deriving the details behind the cause of the flare. Extended observations beyond the initial burst may provide important information on the opening angle and the particle content attributed to delayed secondary flares in some energy bands.
On the influence of the nozzle exhaust initial conditions on the near field acoustic pressure
Authors: Camussi Roberto , Meloni Stefano , Bogey Christophe
Published: December 2022

In this paper, the acoustic pressure generated in the near field of a single stream cold jet is investigated. The analysis is focused on the effect of the initial conditions at the nozzle exit parametrized by considering two different turbulence levels and two different boundary layer thicknesses. The study has been performed by processing a numerical database obtained by large-eddy simulations (LES) of a jet flow at M = 0.9 and Re = 105. Pressure time series are obtained from pointwise virtual probes located in several radial and axial positions in the jet near-field. The acoustic pressure is extracted by the application of a consolidated wavelet-based procedure and the achieved acoustic signals are analyzed in terms of global quantities as well as by computing wavelet-reconstructed Fourier spectra. The results show that both the boundary-layer thickness and the turbulence level significantly affect the acoustic pressure in terms of its intensity and directivity whereas the distribution of energy in the frequency domain depends appreciably, only on the boundary-layer thickness.
Wavelength-switchable L-band fiber laser assisted by random reflectors
Authors: Perez-Herrera R.A. , Roldan-Varona P. , Sanchez-Gonzalez A. , Rodriguez-Cobo L. , Lopez-Higuera J.M. , Lopez-Amo M.
Published: December 2022

A wavelength-switchable L-band erbium-doped fiber laser (EDFL) assisted by an artificially controlled backscattering (ACB) fiber reflector is here presented. This random reflector was inscribed by femtosecond (fs) laser direct writing on the axial axis of a multimode fiber with 50 μm core and 125 μm cladding with a length of 17 mm. This microstructure was placed inside a surgical syringe to be positioned in the center of a high-precision rotation mount to accurately control its angle of rotation. Only by rotating this mount, three different output spectra were obtained: a single wavelength lasing centered at 1574.75 nm, a dual wavelength lasing centered at 1574.75 nm and 1575.75 nm, and a single wavelength lasing centered at 1575.5 nm. All of them showed an optical signal-to-noise ratio (OSNR) of around 60 dB when pumped at 300 mW.
Antikoagulation bei Thrombose und Lungenembolie
Authors: Bauersachs Rupert
Published: December 2022

In diesem Artikel werden aktuelle Evidenz und Leitlinienempfehlungen zur Antikoagulation (AK) bei tiefer Venenthrombose (TVT) und Lungenembolie (LE) zusammengefasst. Bei LE leitet die
Stratifizierung bezüglich Frühletalität das weitere Management. Die Messung von Laktat kann hierfür hilfreich sein. Die initiale AK erfolgt intensiviert entweder parenteral oder mit erhöhter
Dosis von Apixaban oder Rivaroxaban. Alle Patienten sollten eine Erhaltungstherapie von 3 – 6 Monaten erhalten, da bei AK unter 3 Monaten ein hohes Rezidivrisiko besteht. Die Dauer der
anschließenden Sekundärprophylaxe richtet sich nach dem mutmaßlichen VTE-Rezidivrisiko einerseits und dem Blutungsrisiko andererseits. Bei Adipositas bis 150 kg werden Standarddosen von
Rivaroxaban und Apixaban als geeignet vorgeschlagen. Bei der krebsassoziierten Thromboembolie wird die bisherige Leitlinienempfehlung für niedermolekulare Heparine (NMH) über 3 – 6 Monate
ergänzt durch die Empfehlung für Xa-Inhibitoren, allerdings mit Vorsicht bei gastrointestinalen und urothelialen Tumoren oder erwarteten Wechselwirkungen. Hier und in instabilen Phasen wird
NMH bevorzugt.
Antithrombotische Therapie bei pAVK und Aortenerkrankungen
Authors: Espinola-Klein Christine
Published: December 2022

Patienten mit peripherer arterieller Verschlusskrankheit (pAVK) oder Aortenerkrankungen haben ein hohes Risiko für kardiovaskuläre Ereignisse. Gerinnungshemmende Medikamente verbessern die
Prognose und haben daher einen hohen Stellenwert. Bei jeder gerinnungshemmenden Therapie sollte das individuelle Blutungsrisiko berücksichtigt werden und eine individuelle
Nutzen-Risiko-Abwägung durchgeführt werden. Patienten mit symptomatischer pAVK sollten einen Thrombozytenaggregationshemmer (TZAH) erhalten. Bei hohem Risiko für kardiovaskuläre Ereignisse
und niedrigem Blutungsrisiko wird die Kombination von Acetylsalicylsäure (ASS) 100 mg und Rivaroxaban 2 × 2,5 mg empfohlen. Liegt ein hohes Blutungsrisiko vor, ist Clopidogrel ASS
vorzuziehen. Bei Patienten mit Aortenerkrankungen (z. B. komplexe Plaques, Aortenaneurysma) ist die Gabe eines TZAH indiziert. Patienten mit einer atherosklerotischen Gefäßerkrankung und
Indikation für eine orale Antikoagulation wegen Vorhofflimmern oder venöser Thromboembolie sollten keinen zusätzlichen TZAH erhalten. Denn dieser erhöht das Blutungsrisiko, ohne die Prognose
zu verbessern.
Implementing American College of Obstetricians and Gynecologists Outpatient Antepartum Testing Recommendations: Can Your Clinic Handle It?
Authors: Lende Michelle N. , Morris Bruce A. , Lynch Tara A.
Published: December 2022

Objective This study was conducted to determine the difference in the number of pregnancies that would qualify for outpatient fetal testing between our current academic practice and that of the 2021 American College of Obstetricians and Gynecologists (ACOG) antepartum recommendations.

Study Design We performed a retrospective study of all pregnancies that delivered and received prenatal care at our institution between January 1, 2019, and May 31, 2021. The timing and amount of outpatient antepartum testing was determined for each patient. Our current antepartum testing guidelines (clinic protocol) were compared with the 2021 ACOG recommendations (ACOG protocol). Statistical analysis was performed with descriptive statistics and z scoring to compare the total amount of antepartum testing utilized with each protocol.

Results A total of 1,335 pregnancies were included in the study. With the ACOG protocol, an additional 310 (23.2%) of pregnancies would qualify for antepartum testing (57.8% with ACOG protocol vs. 34.6% with clinic protocol). Most of the increased testing was due to maternal age with additional risk factors, hypertensive disorders, diabetes, prepregnancy body mass index ≥ 35, and complex fetal anomalies or aneuploidies. Overall, the ACOG protocol would require an additional 570 antepartum tests (z-score = 4.04, p = 0.000005) over the study period, which is equivalent to 19 additional tests per month and 5 per week. Only nine stillbirths occurred during this time, of which two would have had antepartum testing with both protocols, one would have only had testing per ACOG, and two would have had testing individualized per ACOG.

Conclusion More pregnancies would require outpatient antenatal testing with adoption of the ACOG protocol. A 23% increase in testing would equate to five additional antepartum tests per week. Although this study cannot assess the clinical impact of additional testing, minimal scheduling resources are needed to accommodate this increase.

Key Points
Utility of Pediatric Early Warning Sign Score in Predicting Outcome of PICU Admissions at a Suburban Tertiary Care Hospital
Authors: Agarwal Deepika , Alam Shahzad , Mazahir Rufaida , Singh Rupa Rajbhandari , Maini Baljeet
Published: December 2022

Assessment of the severity of illness is very important in intensive care unit care for quality assessment, assessing prognosis, and proper counseling. The goal of the study was to see how well the Pediatric Early Warning Sign (PEWS) score predicted the outcome of pediatric intensive care unit patients. This prospective cross-sectional study included children younger than 18 years. PEWS was calculated at presentation. The outcomes analyzed were mortality (primary outcome), need for mechanical ventilation, inotropic support, and length of stay (LOS). A median score was calculated and compared across the outcome groups. The performance of the PEWS was assessed for calibration and discrimination, and the best cutoff was determined. This study included 237 patients with a median score of 6 (range 4–9). Twenty-two (9.3%) patients required ventilator support and 66 (26.6%) inotropic support. The overall mortality rate was 5.1%, and 16.4% had prolonged LOS (>4 days). The median score of patients was significantly higher among those who died (8.5 vs. 6; p = 0.001), required ventilator support (8 vs. 6; p = 0.001), inotropic support (7 vs. 6; p = 0.030), and prolonged LOS (7 vs. 6; p = 0.001). On calibration, PEWS was found to have a good fit to predict mortality, the need for ventilator support, inotropic support, and prolonged LOS. Receiver operating characteristic curves for the PEWS model yield an area under the curve of 0.966 for mortality, 0.951 for ventilator support, 0.626 for inotropic support, and 0.760 for prolonged LOS. A cutoff value of > 7 was found to be the best to predict the outcome. PEWS is a robust tool to easily prognosticate the patient on the basis of clinical parameters.
Ultrafast detection of X-rays with perovskites using the photoelectric effect
Authors: Thompsons Avery
Published: December 2022

An X-ray detector that relies on the photoelectric effect is orders of magnitude faster than other perovskite-based detectors.
Application of dislocation-based constitutive model into research of dynamic mechanical behavior under shock loading
Authors: Cheng Wenyu , Pan Hao , Dong Jiaqin , He Anmin , Hu Xiaomian
Published: December 2022

To understand the plastic deformation mechanism of an FCC metal (pure aluminum) under shock loading and describe its dynamic mechanical behavior accurately, a multiscale constitutive model based on the dislocation substructure is developed, which comprehensively considers the controlling mechanisms of dislocation motion and dislocation evolution. Then, the model is extended to the loading of strong shock waves by incorporating the homogeneous nucleated dislocation within the constitutive framework. The model parameters are successfully determined by the normal plate impact experiments with different thicknesses of specimens. Additionally, shock front perturbation decay experiments are performed using a line velocity interferometer system for any reflector, where the modulated surface of the specimen is subjected to a laser-driven loading. Then, the model is applied to reproduce the perturbation decay of shock fronts in experiments. During the post-process of simulated results, the method based on the pressure gradient is used to determine the amplitude and the location of distributed shock fronts. The extended model shows promise as an effective method to figure out the role of strength (shear response) on the evolution of perturbation amplitude.
Investigation of the combined influence of arrangement and configuration parameters on the performance of vertical axis wind turbines in staggered arrangements
Authors: Xu Zhongyun , Chen Jian , Yu Shufan , Li Chun
Published: December 2022

Vertical-axis wind turbine (VAWT) array has attracted much attention due to its higher power density, but existing studies put little emphasis on the configuration parameters of one VAWT in array. Thus, a comprehensive study was carried for the combination effect of arrangement and configuration parameters on the aerodynamic performance of two VAWTs in staggered arrangements. Mutual influence of two turbines under different relative arrangement angles (θ), turbine spacing, blade pitch angles (BPA), and tip speed ratios of the downstream turbine were investigated. A major finding is that the location of the downstream VAWT can be divided into two regions with θ = 60° as the turning point, where the regular patterns of the average power coefficient of double VAWTs (CP,avg) with BPA are different. When the downstream turbine is located in the high-speed zone (θ ≤ 60°), positive BPAs benefit the performance of turbines, and 2.5° is the general optimal BPA. While for the case of downstream VAWT in the wake region (θ > 60°), the optimal BPA is a variable related to turbine spacing. Compared with the zero pitch blade, the maximum CP,avg can increase by 7.3% at most (in the 2D-75° case). Flow characteristic analysis indicated that the trigger of the dynamic stall and the wake interaction is the main reasons for different operation features of staggered arrangements.
Numerical simulation of particle erosion in the internal flow field of solid rocket motor nozzle using Rocstar
Authors: Zhou Wei , Yin Yongqi , Sun Zhensheng , Ma Peiyang , Shi Xueqian
Published: December 2022

Solid composite propellants often contain metal particles, such as aluminum particles, and the internal flow field in a solid rocket motor is a typical gas–solid two-phase flow field. In this study, to address the problem of the erosion of particles on the wall during the working process of an engine, a particle erosion model was established based on the interaction mechanism between the particles and the wall. From the perspective of particle dynamics, the interaction mechanism between the moving particles and the wall was analyzed. The force of the particles on the wall surface was obtained, and a formula for solving the particle erosion rate was deduced by using the strength theory and the energy conservation principle. It was combined with Hertz’s contact theory to analyze the factors influencing the erosion rate. In this paper, the particle erosion experiments revealed not only the relationship between erosion rate and erosion angle but also the correlativity between erosion rate and particle concentration. In addition, the experimental results are consistent with the deduced results, which proves the reliability of the model established in this paper. The multiphysics simulation program Rocstar, developed by the Center for Simulation of Advanced Rockets at the University of Illinois, was used to perform a numerical simulation of the two-phase flow in the Jet Propulsion Laboratory nozzle. The results agreed well with the literature and the experimental data. The feasibility and accuracy of the calculation of the gas-phase and two-phase flow fields of the solid rocket motor nozzle were confirmed, laying the foundation for the numerical simulation of the entire process of the full flow field of the engine.
FIB fabrication and electron emission characteristics of overhanging tungsten and platinum nanostructures
Authors: Singh Abhishek Kumar , Kumar Jitendra
Published: December 2022

The recent advancement in nanofabrication technology has enabled realization of vacuum electron devices with nanogap spacing. These devices have advantages over semiconductor counterparts due to possible operation under hard conditions and some unique functionalities. The challenging task, however, lies with the full understanding of their current–voltage (I–V) characteristics, resulting from various electron emission mechanisms. The reliable extraction of device parameters is, therefore, vital for its potential applications. An attempt has, therefore, been made here to fabricate two three-dimensional overhanging electrodes of tungsten and platinum with a nanoscale gap of 70–100 nm on glass substrates using chemical vapor deposition and focused ion beam milling. Their (I–V) characteristics measured in situ at ∼10−6 mbar are shown to follow the Child–Langmuir law and Fowler–Nordheim field emission at low and high-bias conditions, respectively. The extraction of parameters with a simple procedure suggested earlier yields an effective emission area of ∼3510 Å2, work function of ∼2.5 eV, and field enhancement factor (β) of ∼ 1.8 for tungsten; the values for platinum are 12.5 Å2, 3.0 eV, and 5.0, respectively. The higher β in the case of platinum can be attributed to the formation of a comparatively rough emitter surface with some fine protrusions. The nanostructure gives a current spike at high voltages, which marks its transition to an explosive emission state, breakdown, and dispersion of spherical metal particles over the substrate.
Understanding effect of distortions and vacancies in wurtzite AlScN ferroelectric memory materials: Vacancy-induced multiple defect state types and relaxation dependence in transition energy levels
Authors: Wang Qiang , Go Shao-Xiang , Liu Chen , Li Minghua , Zhu Yao , Li Lunna , Lee Tae Hoon , Loke Desmond K.
Published: December 2022

Energy-efficient compact alternatives to fully digital computing strategies could be achieved by implementations of artificial neural networks (ANNs) that borrow analog techniques. In-memory computing based on crossbar device architectures with memristive materials systems that execute, in an analog way, multiply-and-accumulate operations prevalent in ANN is a notable example. Ferroelectric (FE) materials are promising candidates for achieving ANN thanks to their excellent down-scalability, improved electrical control, and high energy efficiency. However, it remains challenging to develop a crossbar device architecture using FE materials. The difficulty stems from decreasing the leakage current of FE hardware and, simultaneously, reducing the film thickness for achieving compact systems. Here, we have performed density-functional-theory calculations to investigate the electronic, energy-based, and structural signatures of wurtzite FE material Al0.75Sc0.25N with a nitrogen vacancy (VN) in different charge states. We find that VN can introduce two defect states, viz., the singlet state above the valence band maximum (VBM) and a triplet state below the conduction band minimum in wurtzite AlScN models. The calculations reveal that the group of transition levels E3+/2+/E2+/1+ with small formation energies occur at ∼0.78/1.03 eV above the VBM in the wurtzite AlScN with a relaxed configuration, which may shift by a large degree to lower energy levels if atoms surrounding the defect are not fully relaxed. Theoretical studies elucidate the vacancy-enhanced increase in the leakage current utilizing large AlScN supercells. These findings render atomistic insights that can provide a path forward for the design of next-generation portable low-power electronic systems.
Deep learning method for the super-resolution reconstruction of small-scale motions in large-eddy simulation
Authors: Zhao Qingyi , Jin Guodong , Zhou Zhideng
Published: December 2022

A super-resolution reconstruction model for the subgrid scale (SGS) turbulent flow field in large-eddy simulation (LES) is proposed, and it is called the meta-learning deep convolutional neural network (MLDCNN). Direct numerical simulation (DNS) data of isotropic turbulence are used as the dataset of the model. The MLDCNN is an unsupervised learning model, which only includes high-resolution DNS data without manually inputting preprocessed low-resolution data. In this model, the training process adopts the meta-learning method. First, in the a priori test, the SGS turbulent flow motions in the filtered DNS (FDNS) flow field are reconstructed, and the energy spectrum and probability density function of the velocity gradient of the DNS flow field are reconstructed with high accuracy. Then, in the a posteriori test, the super-resolution reconstruction of the LES flow field is carried out. The difficulty of LES flow field reconstruction is that it contains filtering loss and subgrid model errors relative to the DNS flow field. The super-resolution reconstruction of the LES flow field achieves good results through this unsupervised learning model. The proposed model makes a good prediction of small-scale motions in the LES flow field. This work improves the prediction accuracy of LES, which is crucial for the phenomena dominated by small-scale motions, such as relative motions of particles suspended in turbulent flows.
Numerical study of the influence of different water depths on the muzzle flow characteristics of machine gun
Authors: Sun Zhiqun , Li Qiang , Han Yujing , Qu Pu
Published: December 2022

The mathematical and physical models of the underwater submerged gun are established to study the flow field distribution characteristics of the gun muzzle at different water depths. The Schnerr–Sauer cavitation model and the realizable k–ω transport turbulence model based on the Reynolds-averaged Navier–Stokes method are employed. The muzzle flow field for the 12.7 mm gun that is submerged launched underwater is numerically simulated by combining user-defined functions and overlapping mesh technology. The flow characteristics of the density, velocity, and pressure fields at the gun muzzle at different water depths are analyzed in detail. The results show that the muzzle flow morphology depends mainly on the pressure at different water depths. The muzzle flow field distribution in deep water is more flat due to the high value of water pressure, which limits the expansion of the muzzle gas, and the range of the velocity field of the muzzle flow field at 100 m is one time smaller than that at 1 m.
On-chip on-demand delivery of K+ for in vitro bioelectronics
Authors: Dechiraju Harika , Selberg John , Jia Manping , Pansodtee Pattawong , Li Houpu , Hsieh Hao-Chieh , Hernandez Cristian , Asefifeyzabadi Narges , Nguyen Tiffany , Baniya Prabhat , Marquez Giovanny , Rasmussen-Ivey Cody , Bradley Carrie , Teodorescu Mircea , Gomez Marcella , Levin Michael , Rolandi Marco
Published: December 2022

Bioelectronic devices that interface electronics with biological systems can actuate and control biological processes. The potassium ion plays a vital role in cell membrane physiology, maintaining the cell membrane potential (Vmem) and generating action potentials. In this work, we present two bioelectronic ion pumps that use an electronic signal to modulate the potassium ion concentration in solution. The first ion pump is designed to integrate directly with six-well cell culture plates for optimal ease of integration with in vitro cell culture, and the second on-chip ion pump provides high spatial resolution. These pumps offer increased ease of integration with in vitro systems and demonstrate K+ concentration distribution with high spatial resolution. We systematically investigate the ion pump’s performance using electrical characterization and computational modeling, and we explore closed-loop control of K+ concentration using fluorescent dyes as indicators. As a proof-of-concept, we study the effects of modulating K+ concentration on Vmem of THP-1 macrophages.
Optimization of non-equilibrium self-assembly protocols using Markov state models
Authors: Trubiano Anthony , Hagan Michael F.
Published: December 2022

The promise of self-assembly to enable the bottom-up formation of materials with prescribed architectures and functions has driven intensive efforts to uncover rational design principles for maximizing the yield of a target structure. Yet, despite many successful examples of self-assembly, ensuring kinetic accessibility of the target structure remains an unsolved problem in many systems. In particular, long-lived kinetic traps can result in assembly times that vastly exceed experimentally accessible timescales. One proposed solution is to design non-equilibrium assembly protocols in which system parameters change over time to avoid such kinetic traps. Here, we develop a framework to combine Markov state model (MSM) analysis with optimal control theory to compute a time-dependent protocol that maximizes the yield of the target structure at a finite time. We present an adjoint-based gradient descent method that, in conjunction with MSMs for a system as a function of its control parameters, enables efficiently optimizing the assembly protocol. We also describe an interpolation approach to significantly reduce the number of simulations required to construct the MSMs. We demonstrate our approach with two examples; a simple semi-analytic model for the folding of a polymer of colloidal particles, and a more complex model for capsid assembly. Our results show that optimizing time-dependent protocols can achieve significant improvements in the yields of selected structures, including equilibrium free energy minima, long-lived metastable structures, and transient states.
Simulation and analysis of the secondary-particle-induced background of the follow-up x-ray telescope onboard Einstein Probe
Authors: Situ Zirui , Lu Jingbin , Yang Yanji , Wang Haodi , Li Ruopu , Li Qingyang , Chen Yong , Xu Yupeng
Published: December 2022

The Einstein Probe (EP) is a small scientific satellite committed to time-domain astronomy and high-energy astrophysics. One of the main payloads in the EP is the Follow-up X-ray Telescope (FXT). To get a quantity of in-orbit data as a reference, data from the Insight-Hard X-ray Modulation Telescope (Insight-HXMT) were adopted. The Insight-HXMT is dedicated to perform hard x-ray all-sky surveys, which has a parallel in-orbit environment with the EP. In this paper, we simulated the in-orbit background of an FXT by the Particle and Heavy-Ion Transport code System, which is the first general-purpose heavy ion transport Monte Carlo code, which has a simulated range from 0.01 meV to 1 TeV. The influence from protons in the EP orbital environment and the secondary rays caused by the shielding materials around the detector have been mainly considered. The Super Monte Carlo Simulation Program for nuclear and radiation Processes has been used to define the materials of the shielding structure. An isotropic source of protons and a complete shielding structure have been constructed in this simulation. First, the spectrum of background between 0.5 and 15 keV has been calculated. Second, we simulated the types of reactions and the fluxes of secondary particles, and all of them were calculated with the same model in the first step. Finally, we considered the effectiveness of the outermost shielding with different materials. Among the calculated spectra of background, we found two conspicuous energy responses with high counts, separately located in 7.345 keV (5 eV) and 8.045 keV (5 eV). Compared with the in-orbit data from the low energy x-ray telescope in the Insight-HXMT, the simulated results are credible. Considering the combination of the simulated types of reactions and fluxes of secondary particles, we could mostly judge that the secondary photons brought the photoelectric effects, which caused the two conspicuous responses in the spectrum of background. In addition, copper was the most suitable material for the outermost shielding in this simulation.
Evaluating morphosemantic demotivation through experimental and distributional methods
Authors: Lombard Alizée , Wauquier Marine , Fabre Cécile , Hathout Nabil , Ho-Dac Lydia-Mai , Huyghe Richard
Published: December 2022

The lexicalization of morphologically complex words, i.e. their inclusion in the lexicon, can involve a loss of
semantic compositionality. Such a phenomenon, called demotivation, has been overlooked in both morphological and lexical studies,
notably regarding its gradual nature. This paper compares two measures of demotivation based on experimental and distributional
semantics approaches. It builds on the evaluation of 78 pairs of French verbs and derived nouns selected to represent three levels
of demotivation. The comparison of the two approaches using speakers’ judgements and word vector similarity indicates convergence
on the identification of demotivation degrees within a continuum, while also highlighting specific aspects of each method. The
study provides direction to further research on morphosemantic demotivation, bridging together semantic, morphological and
methodological considerations.