bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
Authors: Ridings Kannan M. , Hendy Shaun C. 
Published: November 2022

AbstractMolecular dynamics simulations have shown that after initial surface melting, nanowires can melt via two mechanisms: an interface front moves towards the wire centre; the growth of instabilities at the interface can cause the solid to pinch-off and breakup. By perturbing a capillary fluctuation model describing the interface kinetics, we show when each mechanism is preferred and compare the results to molecular dynamics simulation. A Plateau-Rayleigh-type of instability is found and suggests longer nanowires will melt via an instability mechanism, whereas in shorter nanowires the melting front will move closer to the centre before the solid pinch-off can initiate. Simulations support this theory; preferred modes that destabilise the interface are proportional to the wire length, with longer nanowires preferring to pinch-off and melt; shorter wires have a more stable interface close to their melting temperature, and prefer to melt via an interface front that moves towards the wire centre.
Two-dimensional SiC/AlN based type-II van der Waals heterobilayer as a promising photocatalyst for overall water disassociation
Authors: Ferdous Naim , Islam Md. Sherajul , Biney Jeshurun , Stampfl Catherine , Park Jeongwon 
Published: November 2022

AbstractTwo-dimensional (2D) van der Waals (vdW) heterostructures made by vertical assembling of two different layers have drawn immense attention in the photocatalytic water disassociation process. Herein, we suggest a novel 2D/2D vdW heterobilayer consisting of silicon carbide (SiC) and aluminum nitride (AlN) as an exciting photocatalyst for solar-to-hydrogen conversion reactions using first-principles calculations. Notably, the heterostructure presents an inherent type-II band orientation wherein the photogenic holes and electrons are spatially separated in the SiC layer and the AlN layer, respectively. Our results indicate that the SiC/AlN heterostructure occupies a suitable band-gap of 2.97 eV which straddles the kinetic overpotentials of the hydrogen production reaction and oxygen production reaction. Importantly, the built-in electric field at the interface created by substantial charge transfer prohibits carrier recombination and further improves the photocatalytic performance. The heterostructure has an ample absorption profile ranging from the ultraviolet to the near-infrared regime, while the intensity of the absorption reaches up to 2.16 × 105 cm−1. In addition, external strain modulates the optical absorption of the heterostructure effectively. This work provides an intriguing insight into the important features of the SiC/AlN heterostructure and renders useful information on the experimental design of a novel vdW heterostructure for solar energy-driven water disassociation with superior efficiency.
Psychometric analysis of the flow short scale translated to Finnish
Authors: Laakasuo Michael , Palomäki Jussi , Abuhamdeh Sami , Lappi Otto , Cowley Benjamin Ultan 
Published: November 2022

AbstractFlow is a well-known construct describing the experience of deep absorption in a task, typically demanding but intrinsically motivating, and conducted with high skill. Flow is operationalized by self-report, and various instruments have been developed for this, but none have been made available in the Finnish language in thoroughly validated form. We present a psychometric scale-validation study for the Finnish translation of the Flow Short Scale (FSS). We collected data from 201 Finnish speaking participants using the Prolific Academic platform. We assessed the scale’s factorial structure using Mokken scale analysis, Parallel Analysis, Very Simple Structures analysis and a standard Confirmatory Factor Analysis. We then evaluated how correlated was the FSS with the Flow State Scale and Flow Core Scale. Finally, we evaluated how well the FSS distinguished Flow-inducing experiences from boring (non-Flow-inducing) experiences. Taken together, our results show that an 8-item, two-factor version of the scale was a justified instrument with good psychometric properties.
Local buckling behavior of buried pipeline under seismic oblique-reverse fault displacement
Authors: Xu Lingyue , Cheng Xudong , Huang Runkang , Chen Wendi , Hu Wenjun 
Published: November 2022

AbstractSeismic fault displacement is the main factor leading to local buckling failure of the buried pipeline, especially crossing the oblique-reverse fault. The local buckling behavior of the buried pipeline is complex under the 3-D displacement of the oblique-reverse fault. In this work, the pipe local buckling mechanism was discussed, then a shell and solid element nonlinear contact coupling model of the pipeline crossing oblique-reverse fault was established based on the ABAQUS program. The local buckling behavior (potential local buckling locations, developing process) of the pipeline under oblique-reverse fault displacement was systematically analyzed, comparing against the same under single fault displacement. Subsequently, the influence of internal pressure, diameter thickness ratio and burial depth on the local buckling behavior of the pipeline were discussed. The numerical results revealed two potential locations and three stages of the local buckling, then the potential local buckling locations and three stages of the local buckling under different internal pressure, diameter thickness ratio and burial depth were obtained. It proves that the local buckling of the pipeline is more sensitive to the oblique-reverse fault displacement than single fault displacement and provides a reference for the aseismic design and reinforcement of the pipeline crossing the oblique-reverse fault.
Human antibody recognition and neutralization mode on the NTD and RBD domains of SARS-CoV-2 spike protein
Authors: Otsubo Ryota , Minamitani Takeharu , Kobiyama Kouji , Fujita Junso , Ito Toshihiro , Ueno Shiori , Anzai Itsuki , Tanino Hiroki , Aoyama Hiroshi , Matsuura Yoshiharu , Namba Keiichi , Imadome Ken-Ichi , Ishii Ken J. , Tsumoto Kouhei , Kamitani Wataru , Yasui Teruhito 
Published: November 2022

AbstractSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes coronavirus disease 2019 (COVID-19). Variants of concern (VOCs) such as Delta and Omicron have developed, which continue to spread the pandemic. It has been reported that these VOCs reduce vaccine efficacy and evade many neutralizing monoclonal antibodies (mAbs) that target the receptor binding domain (RBD) of the glycosylated spike (S) protein, which consists of the S1 and S2 subunits. Therefore, identification of optimal target regions is required to obtain neutralizing antibodies that can counter VOCs. Such regions have not been identified to date. We obtained 2 mAbs, NIBIC-71 and 7G7, using peripheral blood mononuclear cells derived from volunteers who recovered from COVID-19. Both mAbs had neutralizing activity against wild-type SARS-CoV-2 and Delta, but not Omicron. NIBIC-71 binds to the RBD, whereas 7G7 recognizes the N-terminal domain of the S1. In particular, 7G7 inhibited S1/S2 cleavage but not the interaction between the S protein and angiotensin-converting enzyme 2; it suppressed viral entry. Thus, the efficacy of a neutralizing mAb targeting inhibition of S1/2 cleavage was demonstrated. These results suggest that neutralizing mAbs targeting blockade of S1/S2 cleavage are likely to be cross-reactive against various VOCs.
Feedback stabilization of switched linear systems via a parametric approach
Authors: Li Dong‐Bo , Duan Guang‐Ren , Liu Guo‐Ping 
Published: November 2022

AbstractThis paper solves two matrix equations problems completely which are originated from the problems of state feedback stabilization of first‐order and second‐order switched systems, respectively. Two parametric solutions are proposed for the both two problems. Comparison for the advantages and disadvantages between the two methods is presented from an unified point of view. It is disclosed that principle of each uncontrollable pole will lead to a linear relationship between the rows of solution matrix V. Examples show the proposed methods are convenient calculation.
Target region extraction and segmentation algorithm for reflective tomography Lidar image
Authors: Zhang Xinyuan , Han Fei , Shen Shiyang , Wang Yicheng , Xu Shilong , Dong Xiao , Hu Yihua 
Published: November 2022

AbstractReflective tomography Lidar is long‐range, high‐resolution imaging Lidar. Because the angular resolution is independent of detection range, it enjoys promising application prospects in imaging of small space targets, estimation of barycentre range of space debris, and many other fields. In practice, images generated by reflective tomography Lidar generally contain a large number of artefacts and noise that need to be removed to obtain the target profile. To improve the quality of the target profile, an algorithm is proposed for the extraction and segmentation of the target region in reflective tomography Lidar images. According to the experimental results, the algorithm can achieve better segmentation results than the traditional threshold segmentation algorithms. In particular, the algorithm can maintain good segmentation results for those images with noticeable ring artefacts, strip artefacts, and noise while avoiding under‐segmentation or over‐segmentation. It also guarantees the integrity of the target segmentation, preserves the outer contour and detailed structure information of the target as much as possible, and improves the accuracy of the target segmentation. Compared with conventional threshold segmentation algorithms, the algorithm improves the quality of image segmentation, and can improve the quality factor by more than 3%.
Automatic facial expression recognition combining texture and shape features from prominent facial regions
Authors: Kumar H N Naveen , Kumar A Suresh , Prasad M S Guru , Shah Mohd Asif 
Published: November 2022

AbstractFacial expression is one form of communication which being non‐verbal in nature precedes verbal communication in both origin and conception. Most of the existing methods for Automatic Facial Expression Recognition (AFER) are mainly focused on global feature extraction assuming that all facial regions contribute equal amount of discriminative information to predict the expression class. The detection and localization of facial regions that have significant contribution to expression recognition and extraction of highly discriminative feature distribution from those regions are not fully explored. The key contributions of the proposed work are developing novel feature distribution upon combining the discriminative power of shape and texture feature; determining the contribution of facial regions and identifying the prominent facial regions that hold abstract and highly discriminative information for expression recognition. The shape and texture features taken into consideration are Local Phase Quantization (LPQ), Local Binary Pattern (LBP), and Histogram of Oriented Gradients (HOG). Multiclass Support Vector Machine (MSVM) is used while one versus one classification. The proposed work is implemented on CK+, KDEF, and JAFFE benchmark facial expression datasets. The recognition rate of the proposed work is 94.2% on CK+ and 93.7% on KDEF, which is significantly more than the existing handcrafted feature‐based methods.
Proposing a kinematic wave‐based adaptive transit signal priority control using genetic algorithm
Authors: Behbahani Hamid , Poorjafari Mohammad 
Published: November 2022

AbstractThis paper proposes a kinematic wave‐based adaptive transit signal priority control (KATC) aiming to minimize average passenger delay at intersection level. The passenger delay minimization problem is formulated as a mixed‐integer non‐linear program (MINLP) with two decision variables of green time and phase sequence. The adoption of the phase sequence in the optimization and not involving the common simplifying assumptions in the delay models are the main contributions of the current study. General traffic and public transportation (PT) vehicle delay are estimated using kinematic wave theory. Genetic algorithm is utilized to solve the MINLP problem at 1‐cycle intervals and for a decision horizon of 3 consecutive cycles. The performance of KATC is evaluated against SYNCHRO and the KATC model without phase sequence optimization, using VISSIM. The results of the experiments indicate superior performance of KATC over the two other models in terms of both average passenger delay and PT passenger delay, especially at low congestion levels. Furthermore, increasing PT passenger occupancy can effectively contribute to higher passenger delay improvements. The adverse impacts on passenger vehicles are restricted to a 3.4% and 2.7% increase in general traffic delay compared to SYNCHRO and the KATC model without phase sequence optimization, respectively.
Extraction of alprazolam in biological samples using the dispersive solid‐phase method with nanographene oxide grafted with α‐pyridylamine
Authors: Parsayi Arvand Morteza , Moghimi Ali , Abniki Milad 
Published: November 2022

AbstractAn effective adsorbent was synthesised from nanographene oxide for the removal of the alprazolam drug from the water sample solution. The dispersive solid‐phase extraction method was used with α‐pyridylamine grafted nanographene oxide to extract and analyse little amounts of alprazolam in biological materials. Before beginning the experimental analysis process, it is critical to use a simple and accessible sample preparation approach. In the current study, a technique for preconcentration and measurement of trace quantities of alprazolam in aqueous samples was introduced. The pH of extraction, the amount and type of elution solvent and the period of extraction were all tuned in the alprazolam analysis technique. Analytical parameters such as the concentration factor, the limit of detection of the technique and relative standard deviation (%) were achieved as 20, 8.0 µg L−1 and 2.4%, respectively.
Design and analysis of a magnetic connection device for external ventricular drain
Authors: Yan Rongguo , Ye Junjun , Wang Jiahui , Wang Maomao 
Published: November 2022

AbstractIt is difficult to separate Luer lock adapters during the external ventricular drainage (EVD) since they are often connected by a threaded connection, and the infusion needle put into the patient's body gets pulled out when extubation occurs unexpectedly. The paper described a new magnetic connection assembly made up of ring magnetic permanents and a Hall sensor that could be used to replace Luer lock adapters for quicker disconnection and reconnection of the drainage catheter. For the design and analysis of the device, the finite element method magnetics (FEMM) was used to estimate the size of magnetic permanents and the best detection site of the Hall sensor for detecting whether the magnetic permanents were closely attracted and/or pulled apart. Then an experiment was conducted to confirm our findings. Both simulation and experiment revealed that a pair of hollow cylindrical magnetic permanents, each with height 10 mm, outer diameter 8 mm, and inner diameter 4 mm, could achieve the same force as the Luer lock adapters held, and that the best Hall sensor detection position was in the middle of the permanent magnets, with a radial distance of about 2 mm.
OH mid-infrared emission as a diagnostic of H2O UV photodissociation
Authors: Zannese M. , Tabone B. , Habart E. , Le Petit F. , van Dishoeck E. F. , Bron E. 
Published: November 2022

Context. Water photodissociation in the 114–143 nm UV range forms excited OH which emits at mid-infrared (MIR) wavelengths via highly excited rotational lines. These lines have only been detected with Spitzer in proto-planetary disks and shocks. Previous studies have shown that they are a unique diagnostic for water photodissociation. Thanks to its high sensitivity and angular resolution, the James Webb Space Telescope (JWST) could be able to detect them in other environments such as interstellar photodissociation regions (PDRs).
Aims. Our goal is to predict OH MIR lines for a large range of thermal pressures and UV fields in PDRs.
Methods. We use the Meudon PDR Code to compute the thermal and chemical structure of PDRs. In order to predict the emerging spectrum of OH, we amended the code to include prompt emission induced by H2O photodissociation between 114 and 143 nm. We performed a detailed study of the influence of thermal pressure (Pth/k = nHTK) and UV field strength on the integrated intensities and their detectability with the JWST.
Results. OH MIR emission is predicted to originate very close to the H0/H2 transition and is directly proportional to the column density of water photodissociated in that layer. Because gas-phase neutral-neutral reactions forming water require relatively high temperatures (TK ≳ 300 K), the resulting OH MIR lines are primarily correlated with the temperature at this position, and are therefore brighter in regions with high pressure. This implies that these lines are predicted to be only detectable in strongly irradiated PDRs (G0incident > 103) with high thermal pressure (Pth/k ≳ 5x107 K cm–3). In the latter case, OH MIR lines are less dependent on the strength of the incident UV field. The detection of such lines in PDRs such as the Orion bar – which should be possible – is also investigated and we show that the line-to-continuum ratio could be a major limitation for detection because of instrumental limitations.
Conclusions. OH MIR lines observable by JWST are a promising diagnostic for dense and strongly irradiated PDRs and proplyds. Their intensities are directly proportional to the amount of water photodissociated and they are therefore an indirect but sensitive probe of the gas temperature at the H0/H2 transition.
A de novo Stereocontrolled Synthetic Approach to a Functionalized Indolizidine Core
Authors: Kiss Loránd , Nonn Melinda , Escorihuela Jorge 
Published: November 2022

AbstractA convenient domino synthetic approach for the construction of the indolizidine core in diastereoselective manner has been developed from inexpensive starting compounds, providing triple functionalization. The novel synthetic route started from β-lactam derived from 1,5-cyclooctadiene including a ring-opening metathesis/cross-metathesis sequence as key steps with methyl acrylate followed by intramolecular ring closure across an aza-Michael addition. The process gave functionalized indolizidine framework with stereocontrol in high yields. DFT calculations supported the experimentally observed stereoselective reaction.
A Twenty-Year Survey in Low-Valent Cobalt-Catalyzed Transformations Comes to an End – A Farewell
Authors: Hilt Gerhard 
Published: November 2022

AbstractIn this Account, I report the start of my independent career, concerning cobalt-catalyzed carbon–carbon bond formations and the twenty-year long journey to the final decision to abandon the field. Some highlights, such as the regiodiverse neutral Diels–Alder reaction and the cobalt versus ruthenium-catalyzed Alder-ene reaction are discussed. Besides such highlights, also some aspects that led to unpleasant experiences are reported from a personal point of view.1	Introduction2	The Regiodivergent Neutral-Diels–Alder Reaction3	The Chemoselective [2+2+2] Cyclotrimerization of Alkynes and Nitriles4	The Cobalt-Catalyzed Alder-ene Reaction5	The Isomerization of Carbon–Carbon Double Bonds6	The Final Chord7	Conclusion
A proteome-wide map of chaperone-assisted protein refolding in a cytosol-like milieu
Authors: To Philip , Xia Yingzi , Lee Sea On , Devlin Taylor , Fleming Karen G. , Fried Stephen D. 
Published: November 2022

The journey by which proteins navigate their energy landscapes to their native structures is complex, involving (and sometimes requiring) many cellular factors and processes operating in partnership with a given polypeptide chain’s intrinsic energy landscape. The cytosolic environment and its complement of chaperones play critical roles in granting many proteins safe passage to their native states; however, it is challenging to interrogate the folding process for large numbers of proteins in a complex background with most biophysical techniques. Hence, most chaperone-assisted protein refolding studies are conducted in defined buffers on single purified clients. Here, we develop a limited proteolysis–mass spectrometry approach paired with an isotope-labeling strategy to globally monitor the structures of refolding
Escherichia coli
proteins in the cytosolic medium and with the chaperones, GroEL/ES (Hsp60) and DnaK/DnaJ/GrpE (Hsp70/40). GroEL can refold the majority (85%) of the
E. coli
proteins for which we have data and is particularly important for restoring acidic proteins and proteins with high molecular weight, trends that come to light because our assay measures the structural outcome of the refolding process itself, rather than binding or aggregation. For the most part, DnaK and GroEL refold a similar set of proteins, supporting the view that despite their vastly different structures, these two chaperones unfold misfolded states, as one mechanism in common. Finally, we identify a cohort of proteins that are intransigent to being refolded with either chaperone. We suggest that these proteins may fold most efficiently cotranslationally, and then remain kinetically trapped in their native conformations.
Structure of the NuA4 histone acetyltransferase complex
Authors: Ji Liting , Zhao Lixia , Xu Ke , Gao Huihan , Zhou Yang , Kornberg Roger D. , Zhang Heqiao 
Published: November 2022

Nucleosome acetyltransferase of H4 (NuA4), one of two major histone acetyltransferase complexes in
Saccharomyces cerevisiae
specifically acetylates histone H2A and H4, resulting in increased transcriptional activity. Here we present a 3.8–4.0 Å resolution structure of the NuA4 complex from cryoelectron microscopy and associated biochemical studies. The determined structure comprises six subunits and appropriately 5,000 amino acids, with a backbone formed by subunits Eaf1 and Eaf2 spanning from an Actin-Arp4 module to a platform subunit Tra1. Seven subunits are missing from the cryo-EM map. The locations of missing components, Yaf9, and three subunits of the Piccolo module Esa1, Yng2, and Eaf6 were determined. Biochemical studies showed that the Piccolo module and the complete NuA4 exhibit comparable histone acetyltransferase activities, but the Piccolo module binds to nucleosomes, whereas the complete NuA4 does not. The interaction lifetime of NuA4 and nucleosome is evidently short, possibly because of subunits of the NuA4 complex that diminish the affinity of the Piccolo module for the nucleosome, enabling rapid movement from nucleosome to nucleosome.
Dialogic meaning-making in political settings
Authors: Weizman Elda , Livnat Zohar 
Published: November 2022

Abstract
The goal of this special issue is to investigate the forms and functions of dialogicity in political discourse.
Starting with the premise that the boundaries between monologue and dialogue are blurred in contemporary political discourse in
general and in mediated political discourse in particular, it sets up to explore how dialogical features, manifest in situated
discourse in various degrees of explicitness, are exploited by participants in the political arena, be they professional
politicians, semi-professional activists or ordinary people, for various purposes.