bluuebunny/crossref_metadata_2025 huggingface dataset:
Inferential Emotion Tracking reveals impaired context-based emotion processing in individuals with high Autism Quotient scores
Authors: Ortega Jefferson , Chen Zhimin , Whitney David
Published: May 2023

Emotion perception is essential for successful social interactions and maintaining long-term relationships with friends and family. Individuals with autism spectrum disorder (ASD) experience social communication deficits and have reported difficulties in facial expression recognition. However, emotion recognition depends on more than just processing face expression; context is critically important to correctly infer the emotions of others. Whether context-based emotion processing is impacted in those with Autism remains unclear. Here, we used a recently developed context-based emotion perception task, called Inferential Emotion Tracking (IET), and investigated whether individuals who scored high on the Autism Spectrum Quotient (AQ) had deficits in context-based emotion perception. Using 34 videos (including Hollywood movies, home videos, and documentaries), we tested 102 participants as they continuously tracked the affect (valence and arousal) of a blurred-out, invisible character. We found that individual differences in Autism Quotient scores were more strongly correlated with IET task accuracy than they are with traditional face emotion perception tasks. This correlation remained significant even when controlling for potential covarying factors, general intelligence, and performance on traditional face perception tasks. These findings suggest that individuals with ASD may have impaired perception of contextual information, it reveals the importance of developing ecologically relevant emotion perception tasks in order to better assess and treat ASD, and it provides a new direction for further research on context-based emotion perception deficits in ASD.
Anthropogenic forcing and Pacific internal variability-determined decadal increase in summer precipitation over the Asian water tower
Authors: Liu Yong , Wang Huijun , Chen Huopo , Zhang Zhongshi , Li Hua , Liu Bo
Published: May 2023

The increased precipitation in the Asian water tower has prompted the abrupt lake expansion and increased runoff, significantly reshaping the water resource redistribution in the Inner Tibetan Plateau (ITP). However, the dynamic attribution behind this decadal increment remains unclear. Here, analysis of observations, large ensemble simulations, and pacemaker experiments indicates that this decadal increase was mainly attributed to the synergistic effects of the external forcing (anthropogenic greenhouse and aerosol emissions) and the Pacific internal variability, while the Atlantic and the Indian Ocean play a secondary role. Observations and simulations show that thermodynamic and dynamic effects work collaboratively to this increase. Remarkably, the upper-level dynamic convergence over the ITP would be enhanced through teleconnection and atmospheric dynamic feedback when involving the Pacific internal variability, resulting in more precipitation occurrence. Further analyses show that the enhanced stationary Rossby wave propagation over Eurasia and strengthened transient eddy activity over North Pacific could contribute to the anomalous cyclone over the ITP and weakened East Asian westerly jet, which built a pathway for the external forcing and Pacific internal variability collaboratively impacting the decadal increase in precipitation in the ITP. These results can improve our understanding of ITP summer precipitation attribution and can be applied to emergent constraints on future decadal precipitation prediction.
Identification of acquired Notch3 dependency in metastatic Head and Neck Cancer
Authors: Kondratyev Maria , Pesic Aleksandra , Ketela Troy , Stickle Natalie , Beswick Christine , Shalev Zvi , Marastoni Stefano , Samadian Soroush , Dvorkin-Gheva Anna , Sayad Azin , Bashkurov Mikhail , Boasquevisque Pedro , Datti Alessandro , Pugh Trevor J. , Virtanen Carl , Moffat Jason , Grénman Reidar A. , Koritzinsky Marianne , Wouters Bradly G.
Published: May 2023

During cancer development, tumor cells acquire changes that enable them to invade surrounding tissues and seed metastasis at distant sites. These changes contribute to the aggressiveness of metastatic cancer and interfere with success of therapy. Our comprehensive analysis of “matched” pairs of HNSCC lines derived from primary tumors and corresponding metastatic sites identified several components of Notch3 signaling that are differentially expressed and/or altered in metastatic lines and confer a dependency on this pathway. These components were also shown to be differentially expressed between early and late stages of tumors in a TMA constructed from over 200 HNSCC patients. Finally, we show that suppression of Notch3 improves survival in mice in both subcutaneous and orthotopic models of metastatic HNSCC. Novel treatments targeting components of this pathway may prove effective in targeting metastatic HNSCC cells alone or in combination with conventional therapies.
Developmental stage of transplanted neural progenitor cells influences anatomical and functional outcomes after spinal cord injury in mice
Authors: Aceves Miriam , Tucker Ashley , Chen Joseph , Vo Katie , Moses Joshua , Amar Kumar Prakruthi , Thomas Hannah , Miranda Diego , Dampf Gabrielle , Dietz Valerie , Chang Matthew , Lukose Aleena , Jang Julius , Nadella Sneha , Gillespie Tucker , Trevino Christian , Buxton Andrew , Pritchard Anna L. , Green Peyton , McCreedy Dylan A. , Dulin Jennifer N.
Published: May 2023

Neural progenitor cell (NPC) transplantation is a promising therapeutic strategy for replacing lost neurons following spinal cord injury (SCI). However, how graft cellular composition influences regeneration and synaptogenesis of host axon populations, or recovery of motor and sensory functions after SCI, is poorly understood. We transplanted developmentally-restricted spinal cord NPCs, isolated from E11.5-E13.5 mouse embryos, into sites of adult mouse SCI and analyzed graft axon outgrowth, cellular composition, host axon regeneration, and behavior. Earlier-stage grafts exhibited greater axon outgrowth, enrichment for ventral spinal cord interneurons and Group-Z spinal interneurons, and enhanced host 5-HT+axon regeneration. Later-stage grafts were enriched for late-born dorsal horn interneuronal subtypes and Group-N spinal interneurons, supported more extensive host CGRP+axon ingrowth, and exacerbated thermal hypersensitivity. Locomotor function was not affected by any type of NPC graft. These findings showcase the role of spinal cord graft cellular composition in determining anatomical and functional outcomes following SCI.
Polarization behavior in a compositionally graded relaxor–ferroelectric crystal visualized by angle-resolved polarized Raman mapping
Authors: Tsukada Shinya , Fujii Yasuhiro , Kanagawa Akari , Akishige Yukikuni , Ohwada Kenji
Published: May 2023

Explaining the properties and functions of materials in terms of their atomic arrangements and inhomogeneous structures is a fundamental challenge for the development of ferroelectric oxides. Dielectric response, a fundamental property of matter, can be explained by long-wavelength polar lattice vibrations and dipole relaxations capable of responding to electrical bias; therefore spectroscopic methods, such as Raman spectroscopy, can be used to investigate its origin. Herein, we used angle-resolved polarized Raman mapping to investigate how phase boundaries and giant dielectric responses are related in a relaxor-Pb(Mg1/3Nb2/3)O3–ferroelectric-PbTiO3 (PMN-xPT) solid-solution system using a compositionally graded crystal, with gradual changes in polarization direction visualized by Raman mapping. The variation of the width of quasielastic light scattering with position reveals the following: The huge dielectric response observed in PMN-xPT is ascribable to the slowing down of a relaxation related to mesoscopic ferroelectric domains near the phase boundary, which is characteristic of relaxor–ferroelectric solid-solution systems and differentiates them from other ferroelectrics.
Self-organized patterning on azo molecular glass film via optical near-field effect
Authors: Wang Zenan , Huang Hao , Wang Xiaogong
Published: May 2023

Self-organized surface patterning has attracted great research interest ranging from scientific understanding to various applications. Here, we report a unique patterning behavior observed on an azo molecular glass film with polystyrene microspheres on the surface upon irradiation with a circularly polarized laser beam. Photoinduced submicron hillocks are found to organize into concentric arrays around isolated polystyrene spheres, while more complex patterns are observed around two or more spheres close to each other. The irradiation first creates surface relief rings encircling the spheres and then the rings split into hillocks arranged in circular arrays with increasing exposure time. Pattern formation is shown to be controlled by synergy from the optical near-field of polystyrene spheres with the spontaneous hillock formation characteristics of the molecular glass film upon light irradiation. This work is beneficial to deepening the understanding of light–matter interactions and is expected to be applied in different areas.
Sex-disaggregated effectiveness data reporting in COVID-19 vaccine research: a systematic review
Authors: Sulis Giorgia , Kim Ji Yoon , Rodrigue Valérie , Gore Geneviève , Peebles Alexandra , Ulrich Angela K. , Horn Miranda , Basta Nicole E.
Published: May 2023

Background

Sex and gender are believed to influence vaccine response. Yet, the relationship between sex and gender and COVID-19 vaccine efficacy is poorly understood and remains under-investigated.

Methods

We conducted a systematic review to determine whether and to what extent post-approval COVID-19 vaccine effectiveness (VE) studies report sex-disaggregated VE data.

We searched four publication and pre-publication databases and additional grey literature sources for relevant published/preprint studies released between 1 January 2020 and 1 October 2021 (i.e., pre-Omicron era). We included observational studies providing VE estimates for one or more licensed/approved COVID-19 vaccines and including both males and females. Two reviewers independently assessed study eligibility, extracted data, and assessed risk-of-bias through a modified version of Cochrane’s ROBINS-I tool. A qualitative data synthesis was performed.

Results

Here we show that, among 240 eligible publications, 68 (28.3%) do not report the sex distribution among participants. Only 21/240 (8.8%) studies provide sex-disaggregated VE estimates, and high between-study heterogeneity regarding design, target population, outcomes, and vaccine type/timing prevent the assessment of sex in determining COVID-19 VE across studies.

Conclusions

Our findings indicate that few COVID-19 vaccine research publications account for sex. Improved adherence to recommended reporting guidelines will ensure that the evidence generated can be used to better understand the relationship between sex and gender and VE.
Beyond QTAIM: NCI Indexes as a Tool to Reveal Intermolecular Bonds in Molecular Aggregates
Authors: Boto Roberto A. , Contreras-García Julia
Published: May 2023

This chapter dwells on a novel descriptor for the visualization of non-covalent interactions, NCI (for Non-Covalent Interactions), based on the Reduced electron Density Gradient (RDG) and enabling an easy-to-catch visualization of non-covalent interactions. In this chapter we will see how this index is based on the bosonic kinetic energy density, revealing a complete spectrum of chemical structures. It recovers the shell structure and Lewis picture of ELF (covalent bonds, lone pairs), but also interactions not recovered by ELF because they are not related to localization, such as ionic and non-covalent interactions, as recovered by QTAIM bond critical points (BCPs). These QTAIM interactions are visualized as isosurfaces, which also provide a very intuitive description of delocalized interactions, overcoming the pair interactions as defined by BCPs. Finally, we will also show that weak intramolecular interactions, both attractive and repulsive, can be visualized by NCI too, even in the absence of QTAIM features. Since NCI provides a complete picture of chemical structure, it becomes an ideal tool to analyze molecular aggregates. We will finish the chapter with several examples applied to molecular solids, showing the ability of NCI to quickly characterize delocalized interactions in benzene from X-ray densities. We will also show an approximation of NCI from promolecular densities applicable to protein structures (e.g. xyz or pdb files). Finally, we will show an example where NCI has helped in revealing a new type of bonding that enables explanation of new experimental results under pressure and unexpected macroscopic properties.
Solid-state NMR Techniques for the Study of Intermolecular Interactions
Authors: Vioglio P. Cerreia , Chierotti M. R. , Gobetto R.
Published: May 2023

The local nature of the magnetic interaction probed by NMR allows structural information to be obtained on intermolecular interactions and also in solids characterized by a low crystallinity, where single crystal diffraction methods fail. There are indeed several cases where NMR has been crucial in determining the weak interaction networks that characterize specific self-assembled crystal structures; the specialized literature often refers to such studies as “NMR crystallography”. Among all the NMR parameters chemical shift, chemical shielding tensors, dipolar interaction, spin diffusion, and nuclear quadrupole coupling are the most important. The continuous development of stronger magnets, more sensitive probes operating at higher MAS rates, new pulse sequences and improved computational tools has led to dramatic progress in the NMR discipline for the study of intermolecular interactions, mainly in the field of hydrogen and halogen bonds. Recent results on this subject are presented within the context of their potential applications in crystal engineering and supramolecular chemistry.
The Cation–π Interaction
Authors: Dougherty Dennis A.
Published: May 2023

The cation–π interaction has long been recognized as a powerful force that can contribute strongly to intermolecular interactions. It has been well documented in the gas phase, in solution, and in the solid state. In the present chapter, we present a brief overview of the fundamental nature of the cation–π interaction, describing work that establishes both the nature and the potential magnitude of the interaction. We then describe a number of systems in which cation–π interactions play a key role in determining a solid state packing arrangement. It is clear that the cation–π interaction can play an important role in molecular crystals, both in explaining observed packing patterns and in rationally designing molecular solids.
Noncovalent Interactions in Crystal Structures: Quantifying Cooperativity in Hydrogen and Halogen Bonds
Authors: Grabowski Sławomir J.
Published: May 2023

The cooperativity effects for hydrogen and halogen bonded systems are analyzed; examples of clusters where this phenomenon occurs are presented – the systems analyzed theoretically are compared with examples of the corresponding arrangements occurring in crystal structures. This chapter relates to early studies on this phenomenon and it presents different meanings of the term cooperativity. Distinct indices and measures of the cooperativity are presented in order to quantify this phenomenon.

Different classifications of the cooperativity are presented; for example, σ- cooperativity and π-cooperativity are described. For the latter case one can distinguish between intermolecular and intramolecular π-cooperativity. It is justified that for numerous kinds of interactions, the hydrogen and halogen bonds, as well as other interactions classified as σ-hole bonds, the same indices describing the cooperativity may be applied. It is shown that in crystal structures where cooperativity effects are mostly related to the symmetry relations, the situation is very complex since various phenomena related to the term cooperativity may act simultaneously.
A model-informed method to retrieve intrinsic from apparent cooperativity and project cellular target occupancy for ternary complex-forming compounds
Authors: Stein Richard R. , Fouché Marianne , Kearns Jeffrey D. , Roth Hans-Joerg
Published: May 2023

Estimating intrinsic from apparent cooperativities to calculate concentrations of ternary complexes in biochemical and cellular assays.
Butyrate promotes C2C12 myoblast proliferation by activating ERK/MAPK pathway
Authors: Guan Li , Cao Ziyi , Pan Ziyue , Zhao Chao , Xue Mengjuan , Yang Fan , Chen Jie
Published: May 2023

The role of butyrate, a metabolite of intestinal bacteria, in sarcopenia has received much attention in recent years.
Large barocaloric effects in two novel ferroelectric molecular plastic crystals
Authors: Salvatori Alejandro , Aguilà David , Aromí Guillem , Mañosa Lluís , Planes Antoni , Lloveras Pol , Pardo Luis Carlos , Appel Markus , Nataf Guillaume F. , Giovannelli Fabien , Barrio Maria , Tamarit Josep Lluís , Romanini Michela
Published: May 2023

A new type of materials combining a high-temperature plastic phase and a low-temperature ferroelectric phase, the ferroelectric plastic crystals, are promising for application in refrigeration systems based on solid-state caloric effects.
Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA
Authors: Rodriguez Jessica , Battistini Federica , Learte-Aymamí Soraya , Orozco Modesto , Mascareñas José L.
Published: May 2023

We report the modelling of the DNA complex of an artificial miniprotein composed of two zinc finger modules linked by an AT-hook peptide.
Aqueous mediated iodine catalyzed C–N coupling followed by C–C coupling towards 5H-pyrazino[2,3-b]indoles
Authors: Bera Debasish , Sarkar Rajib , Saha Pinaki , Ghosh Prasanta , Mukhopadhyay Chhanda
Published: May 2023

Our study describes a new development featuring iodine-catalyzed two consecutive oxidative cross-coupling reactions involving Cα(sp3)–H of benzyl amines followed by intramolecular cyclization in water under air.
A laser-induced Fe3O4-graphene nanozyme for catalytic–photothermal synergetic bactericidal applications
Authors: Yang Limin , Chen Liuying , Feng Zhiliang , Shi Haiyan , Wang Baokun , Liu Wenjie , Liu Xiaojuan , Hou Ting , Ge Lei , Li Feng
Published: May 2023

The in situ and straightforward fabrication of an Fe3O4-decorated 3D macroporous graphene nanozyme is developed via a facile and scalable direct-laser-writing method for catalytic–photothermal synergetic bactericidal applications.
Nickel foam deposited with borophene sheets used as a self-supporting binder-free anode for lithium-ion batteries
Authors: Bi Ting , Zhang Junzhe , Wang Mei , Wang Liyong , Chen Jingpeng , Hu Shengliang , Chen Chenmeng , Wang Huiqi
Published: May 2023

Nickel foam-supported borophene sheets were prepared using an improved chemical vapor deposition process. The as-obtained borophene sheets have crystaline nature, where the β12phase is dominant and contributes to high capacity for lithium storage.
The role of precursor states in the stereo-dynamics of elementary processes
Authors: Falcinelli Stefano , Cappelletti David , Vecchiocattivi Franco , Pirani Fernando
Published: May 2023

The discussed processes are controlled by energy and structure of precursor (or pre-reactive) states. The ones depicted here refer to chemi-ionization reactions that can occurviadirect (oxidation – red arrows) or indirect (photoionization – black arrows) mechanisms.
Bio-based ether solvent and ionic liquid electrolyte for sustainable sodium–air batteries
Authors: Stigliano Pierre L. , Ortiz-Vitoriano Nagore , Medinilla Lidia , Bara Jason E. , López del Amo Juan Miguel , Lezama Luis , Forsyth Maria , Mecerreyes David , Pozo-Gonzalo Cristina
Published: May 2023

A green, low-toxic diglyme isomer, 1,2,3-trimethoxypropane, has been studied, for the first time, as the electrolyte in sodium–air batteries reaching 2.31 mA h cm−2 discharge capacity and with NaO2 as the main discharge product.
Towards a sustainable conversion of biomass/biowaste to porous carbons for CO2 adsorption: recent advances, current challenges, and future directions
Authors: Nazir Ghazanfar , Rehman Adeela , Hussain Sajjad , Mahmood Qasim , Fteiti Mehdi , Heo Kwang , Ikram Muhammad , Aizaz Ud Din Muhammad
Published: May 2023

Solid adsorbents are considered very attractive for selective CO2 removal from main emission sites, and this method was found suitable for post-combustion carbon capture owing to its cost-effective and retrofit nature.
Novel pirfenidone derivatives: synthesis and biological evaluation
Authors: Yao Maoling , Sun Maoru , Chen Congdi , Jin Liming , Yang Hongjun , Li Yong , Yin Shufan
Published: May 2023

In order to discover novel anti-pulmonary fibrosis agents, a series of novel pirfenidone derivatives were designed and synthesized.
Boosting the capacity and stability of a MoO3cathodeviavalence regulation and polypyrrole coating for a rechargeable Zn ion battery
Authors: He Yachen , Xue Weiwei , Huang Yifeng , Tang Hongwei , Wang Guangxia , Zheng Dezhou , Xu Wei , Wang Fuxin , Lu Xihong
Published: May 2023

Molybdenum trioxide (MoO3) is emerging as a hugely competitive cathode material for aqueous zinc ion batteries (ZIBs) for its high theoretical capacity and electrochemical activity.
The construction of a heterostructured RGO/g-C3N4/LaCO3OH composite with enhanced visible light photocatalytic activity for MO degradation
Authors: Gu Deng , Wang Yuanjin , Liang Zhiman , Dou Yanting , Xu Zhenhe , Zheng Jiqi , Sun Yaguang , Ding Fu , Gao Yu
Published: May 2023

The photodegradation performance of ternary RGO/g-C3N4/LaCO3OH composite under visible light irradiation is enhanced by the construction of g-C3N4/LaCO3OH heterojunction and the introduction of RGO as a cocatalyst.
Functionalization of cellulose nanocrystals extracted from pineapple leaves as a UV-absorbing agent in poly(lactic acid)
Authors: Pornbencha Kanokporn , Sringam Sarannuch , Piyanirund Supicha , Seubsai Anusorn , Prapainainar Paweena , Niumnuy Chalida , Roddecha Supacharee , Dittanet Peerapan
Published: May 2023

Organic UV-shielding agent based on cinnamate functionalization of cellulose nanocrystals (Cin-CNCs) in polylactic acid (PLA) films.
High-voltage ionic liquid-based flexible solid polymer electrolyte for high-performance Li-ion batteries
Authors: Kale Rushikesh B. , More Sahebrao S. , Khupse Nageshwar D. , Kalubarme Ramchandra S. , Kulkarni Milind V. , Rane Sunit B. , Kale Bharat B.
Published: May 2023

Ionic liquid–solid polymer electrolyte membrane for sustainable battery technology.
Efficient photocatalytic NO oxidation over novel NiAl layered double hydroxide/Bi4Ti3O12 Z-scheme heterojunctions with boosted charge separation and O2 activation
Authors: Li Guojun , Deng Yue , Li Ting , Lian Zheng , Lyu Qiuqiu , Liu Zhinian , Zhang Shule , Zhong Qin
Published: May 2023

The novel NiAl-LDH/Bi4Ti3O12 Z-scheme heterojunction exhibits excellent NO oxidation performance with low toxic NO2 generation. The enhanced activity can be attributed to the boosted charge separation and optimized oxygen activation capability.
Predictors of Ball Velocity in the Sitting Volleyball Serve: A Causal Analysis
Authors: Cavedon Valentina , Sandri Marco , Golia Silva , Brugnoli Chiara , Bolčević Filip , Zancanaro Carlo , Milanese Chiara
Published: May 2023

This study explored the performance of the Sitting Volleyball serve by investigating the causal factors associated with ball velocity. Thirty-seven athletes underwent anthropometry and strength assessment and performed ten successful maximal effort serves. Ball velocity was measured using a sports radar gun. The hip, shoulder, elbow and wrist angles at the instant of ball impact as well as the height of ball impact were estimated through two-dimensional motion analysis. The causal relationships between variables were described through a linear Structural Equation Model and a Directed Acyclic Graph. Results showed that a smaller hip angle determines a greater shoulder angle, which in turn causes a greater elbow angle. A more open elbow angle together with a greater vertical reach allowed for a greater height of ball impact. Finally, increased height of ball impact along with greater abdominal strength are beneficial for higher ball velocity. These results underlined that the Sitting Volleyball serve is a multifactorial stroke involving anthropometric, technical and strength factors and suggest that athletes should improve their abdominal strength and master the technique necessary to perform the serve with the shoulder and the elbow joints fully extended in order to produce the greatest possible impact on the ball.
Copper-Catalyzed Coupling of N-Phenoxyacetamides and 2H-Azirines for Synthesis of α-Amino Oxime Ethers
Authors: Zhu Yue-Lu , Chen Jiao , Yan Jie , Xu Xiu-Xuan , Sun Zong-Yu
Published: May 2023

Copper-catalyzed coupling reaction involving N-phenoxyacetamides and 2H-azirines is described, in which N–O and C–N bonds are broken and restructured. This protocol provides an efficient strategy for the highly regioselective synthesis of racemic α-amino oxime ethers. In addition, this strategy can be used to modify natural products and is gram-scale compatible.
COVID-19 responses restricted abilities and aspirations for mobility and migration: insights from diverse cities in four continents
Authors: Jolivet Dominique , Fransen Sonja , Adger William Neil , Fábos Anita , Abu Mumuni , Allen Charlotte , Boyd Emily , Carr Edward R. , Codjoe Samuel Nii Ardey , Gavonel Maria Franco , Gemenne François , Rocky Mahmudol Hasan , Lantz Jozefina , Maculule Domingos , de Campos Ricardo Safra , Siddiqui Tasneem , Zickgraf Caroline
Published: May 2023

Research on the impacts of COVID-19 on mobility has focused primarily on the increased health vulnerabilities of involuntary migrant and displaced populations. But virtually all migration flows have been truncated and altered because of reduced economic and mobility opportunities of migrants. Here we use a well-established framework of migration decision-making, whereby individual decisions combine the aspiration and ability to migrate, to explain how public responses to the COVID-19 pandemic alter migration patterns among urban populations across the world. The principal responses to COVID-19 pandemic that affected migration are: 1) through travel restrictions and border closures, 2) by affecting abilities to move through economic and other means, and 3) by affecting aspirations to move. Using in-depth qualitative data collected in six cities in four continents (Accra, Amsterdam, Brussels, Dhaka, Maputo, and Worcester), we explore how populations with diverse levels of education and occupations were affected in their current and future mobility decisions. We use data from interviews with sample of internal and international migrants and non-migrants during the 2020 COVID-19 pandemic outbreak to identify the mechanisms through which the pandemic affected their mobility decisions. The results show common processes across the different geographical contexts: individuals perceived increased risks associated with further migration, which affected their migration aspirations, and had reduced abilities to migrate, all of which affected their migration decision-making processes. The results also reveal stark differences in perceived and experienced migration decision-making across precarious migrant groups compared to high-skilled and formally employed international migrants in all settings. This precarity of place is particularly evident in low-income marginalised populations.
Effective dynamics for a class of stochastic weakly damped wave equation with a fast oscillation
Authors: Zhao Jin-Wei , Ge Bin , Liu Lu
Published: May 2023

The purpose of this paper is to consider the effective dynamic behavior of a class of stochastic weakly damped wave equations with a fast oscillation under the non-Lipschitz condition. We show that the slow component converges to the solution of the corresponding average equation. The result presented here extends the existing results from the Lipschitz to non-Lipschitz condition, which is a much weaker condition with a wider range of applications.
Multifunctional interface passivation by benzothiophene amine for stable perovskite solar cells with suppressed charge recombination
Authors: Wu Weifeng , Hu Ding , Liu Gang , Mo Rong , Li Jun , Li Hongxing , Ke Lili
Published: May 2023

Interfacial passivation is the focal point for the preparation of efficient and stable perovskite solar cells. A holistic modification strategy employing multifunctional interfacial material of [1]benzothieno[3,2-b][1]benzothiophene-2-amine (BTBT-NH2) between tin oxide and perovskite is presented in this paper. It can be chemically linked to tin oxide by Lewis base coordination to reduce the oxygen vacancy in tin oxide. Furthermore, BTBT-NH2 containing lone pair electrons can passivate unliganded lead ions in perovskite and anchor lead iodide completely at the bottom of perovskite through N-H bond, forming more nucleation sites and improving the film-forming quality and crystallinity of PbI2 and perovskite. Further analysis reveals that the modification of BTBT-NH2 can reduce trap density, thus suppressing charge recombination and improving power conversion efficiency (PCE). Surprisingly, after being stored at 22 °C and 30% relative humidity in ambient conditions for nearly 1000 h, the unpackaged device maintains 90% of its initial PCE. The results show that BTBT-NH2 interfacial modification is an effective strategy for obtaining stable and efficient perovskite solar cells.
A proper orthogonal decomposition analysis upon aerodynamic structures under clean and rough conditions
Authors: Quiroga Ingrid , Zarketa-Astigarraga Ander , Cárdenas-Rondón Juan A. , Martínez-Cava Alejandro , Penalba Markel , Martin-Mayor Alain , Martinez-Agirre Manex
Published: May 2023

A transitional flow regime is known to induce complex flow structures upon aerodynamic geometries such as airfoils, and the dynamics of laminar separation bubbles (LSBs) pose a relevant research field. In addition to being affected by the Reynolds value itself, LSBs are shown to be equally sensitive to the surface roughness of the airfoils. The study analyses wind tunnel-derived surface-pressure distribution datasets obtained for a particular airfoil of the standard family developed by the National Advisory Committee for Aeronautics (NACA), namely, the NACA0021, subjected to the range 0.8×104<Re<1.6×104 at different angles of attack under two flow configurations that correspond to a clean and roughened surface. The analysis is undertaken via the proper orthogonal decomposition (POD) technique. The results show that the decomposition of the temporal series of surface-pressure data and the processing of the most energetic POD modes recovers the position of the LSBs, properly capturing the closure point of the separation bubbles and, hence, the turbulence transition location. Some of the most energetic POD modes observed are closely related, in terms of shape, to the POD modes present at the reattachment point on a 5:1 rectangular cylinder. This could indicate there is a recognizable pattern in coherent structures of pressure fluctuations when it comes to a reattached flow. Therefore, a principal component analysis such as the POD presented in this study can be used to determine the reattachment position of the flow or the transition point in the presence of a LSB.
Structural, electronic, and transport properties of Janus XMoSiP2 (
X=
S, Se, Te) monolayers: a first-principles study
Authors: Hiep Nguyen T , Nguyen Cuong Q , Poklonski N A , Duque C A , Phuc Huynh V , Lu D V , Hieu Nguyen N
Published: May 2023

Based on density functional theory calculation, herein we propose XMoSiP2 (

X
=

S, Se, Te) monolayers for new two-dimensional (2D) Janus materials. Their crystal structures with dynamical, mechanical, and thermal stabilities, electronic and transport properties are systematically investigated. The results reveal that all three XMoSiP2 monolayers exhibit isotropic elastic properties with high Young’s modulus and negative cohesive energy values, as well as the elastic constants follow the Born-Huang’s criteria, demonstrating their mechanical stability and suggesting the high ability for the experimental synthesis of these materials. From the Perdew–Burke–Ernzerhof functional, the SMoSiP2 is observed as a semiconductor with an indirect bandgap of 1.01 eV, while the SeMoSiP2 and TeMoSiP2 monolayers are observed as direct semiconductors with the bandgap energy of 1.09 and 1.12 eV, respectively. Notably, the bandgap energy of the materials is changed significantly by applying the biaxial strain, and the transition between direct and indirect semiconductors is observed. For the transport ability of the materials, the carrier mobilities are found to be anisotropic for both electron and hole in our studied materials. These findings further highlight the extraordinary properties of the 2D Janus XMoSiP2 materials and their promise for application in electronic devices.
Large-range high-speed dynamic-mode atomic force microscope imaging: adaptive tapping towards minimal force
Authors: Chen Jiarong , Zou Qingze
Published: May 2023

In this paper, a software-hardware integrated approach is proposed for high-speed, large-range tapping mode imaging of atomic force microscope (AFM). High speed AFM imaging is needed in various applications, particularly in interrogating dynamic processes at nanoscale such as polymer crystallization process. Achieving high speed in tapping-mode AFM imaging is challenging as the probe-sample interaction during the imaging process is highly nonlinear, making the tapping motion highly sensitive to the probe sample spacing, and thereby, difficult to maintain at high speed. Increasing the speed via hardware bandwidth enlargement, however, leads to a substantially reduction of the imaging area. Contrarily, the imaging speed can be increased without loss of the scan size through control (algorithm)-based approach. For example, the recently-developed adaptive multiloop mode (AMLM) technique has demonstrated its efficacy in increasing the tapping-mode imaging speed without loss of scan size. Further improvement, however, has been limited by the hardware bandwidth and the online signal processing speed and computation complexity involved. Thus, in this paper, the AMLM technique is further enhanced to optimize the probe tapping regulation, and integrated with a field programmable gate array platform to further increase the imaging speed without loss of quality and scan range. Experimental implementation of the proposed approach demonstrates that high-quality imaging can be achieved at a high-speed scanning rate of 100 Hz and higher, and over a large imaging area of over 20 μm.
3D printing polyurethane acrylate(PUA) based elastomer and its mechanical behavior
Authors: Li Huan , Liang Lei , Zeng Wenxiang , Deng Yuancheng , Ge Nengpeng , Shan Wubin
Published: May 2023

Liquid-crystal display(LCD) 3D printing, also known as light during 3D printing or photopolymer 3D printing, is a type of additive manufacturing technology that uses light-sensitive resin to create three-dimensional objects. This technology has gained popularity in recent years owing to its ability to create high-resolution, detailed objects with a wide range of materials, including shape-memory polymers, toughness resins, and elastomers. Elastomers are a type of polymer material that has the ability to stretch and deform under an applied force, but return to their original shape when the force is removed. The superior deformation recovery rate contributes to elastomer use in various industries, including automotive, aerospace, medical, and consumer goods. In this study, a UV-curable polyurethane acrylate(PUA) elastomer with an elongation of 100%–200% was developed. Using LCD 3D printing, we were able to fabricate Triply periodic minimal surface(TPMS) lattice structures with this elastomer investigated the compressive behavior of TPMS structures with different compressive ratios of 20%–50%. Our results demonstrate that this approach enables the creation of flexible energy-absorbing structures under cyclic loading. This study highlights the potential of LCD 3D printing technology for the production of elastomeric materials with tunable mechanical properties.
Diode pumped compact single frequency cw ruby laser
Authors: Luhs W , Wellegehausen B
Published: May 2023

Investigations on 405 nm diode-pumped cw ruby lasers operated in less than 3 mm plane-parallel resonators are reported. With 2.5 mm long ruby crystals TEM00 emission with output powers up to 40 mW are achieved. With an uncoated thin etalon of 0.13 mm thickness, single frequency emission on both ruby lines R1 and R2 is possible. With the piezoelectric shifting of one resonator mirror and corresponding tilting of the etalon, single frequency tuning of up to 400 GHz has been achieved. Details of the laser system are presented, and potential applications will be discussed.
NRRS: a re-tracing strategy to refine neuron reconstruction
Authors: Li Yiwei , Jiang Shengdian , Ding Liya , Liu Lijuan
Published: May 2023

It is crucial to develop accurate and reliable algorithms for fine reconstruction of neural morphology from whole-brain image datasets. Even though the involvement of human experts in the reconstruction process can help to ensure the quality and accuracy of the reconstructions, automated refinement algorithms are necessary to handle substantial deviations problems of reconstructed branches and bifurcation points from the large-scale and high-dimensional nature of the image data. Our proposed Neuron Reconstruction Refinement Strategy (NRRS) is a novel approach to address the problem of deviation errors in neuron morphology reconstruction. Our method partitions the reconstruction into fixed-size segments and resolves the deviation problems by re-tracing in two steps. We also validate the performance of our method using a synthetic dataset. Our results show that NRRS outperforms existing solutions and can handle most deviation errors. We apply our method to SEU-ALLEN/BICCN dataset containing 1741 complete neuron reconstructions and achieve remarkable improvements in the accuracy of the neuron skeleton representation, the task of radius estimation and axonal bouton detection. Our findings demonstrate the critical role of NRRS in refining neuron morphology reconstruction.

Availability and implementation

The proposed refinement method is implemented as a Vaa3D plugin and the source code are available under the repository of vaa3d_tools/hackathon/Levy/refinement. The original fMOST images of mouse brains can be found at the BICCN’s Brain Image Library (BIL) (https://www.brainimagelibrary.org). The synthetic dataset is hosted on GitHub (https://github.com/Vaa3D/vaa3d_tools/tree/master/hackathon/Levy/refinement).

Supplementary information

Supplementary data are available at Bioinformatics Advances online.
Development and Validation of Stability Indicating RP-HPLC Method for the Estimation of Glycopyrrolate and Neostigmine in Bulk and Injection
Authors: Agarwal Babita , Jagdale Sachin , Kadam Prasad , Sakpal Pramod , Nalawade Santaji , Maske Shivraj , Dale Pooja
Published: May 2023

A stability indicating RP-HPLC method is suggested for determination of Glycopyrrolate-Neostigmine (GLY/NEO) in bulk drugs and injection formulation. GLY/NEO were eluted from a Chromolith High Resolution RP-18e (100 mm×4.6 mm) with buffer solution (pH 3.0) as mobile phase A and a mixture of HPLC grade acetonitrile and water mixture (90:10) as mobile phase B. The gradient was optimized with a flowrate of 0.5 mL/min and wavelength of 222 nm. A complete analytical method validation was effectively carried out as per ICH Q2 (R1) guidelines. Recovery studies were performed at 50–150% level of working concentrations, and results were in the range of 99–101%. The linearity was detected in the range of LOQ to 200% of the specification limits i.e., 0.5% each for NEO and GLY, 0.01% for NEO Impurity B and 1.0% for rest of the impurities with respect to the test concentration of the respective components. For stability study, various stress conditions such as acid, base, oxidation and thermal as per ICH guidelines were studied. The high recovery and low relative standard deviation confirm the suitability of proposed method that can be employed for the routine analysis in bulk and pharmaceutical formulation.
UHPLC-MS/MS Method Development and Validation for the Genotoxic Impurities Trimethyl Phosphate and Triisopropyl Phosphate of Elagolix Sodium
Authors: Hao Yajie , Feng Zhong , Zhuang Xuhui , Teng Hao , Zhang Guimin
Published: May 2023

Elagolix sodium is a gonadotropin-releasing hormone (GnRH) receptor antagonist that inhibits endogenous GnRH signaling by competitively binding to GnRH receptors in the pituitary gland to treat moderate to severe pain associated with endometriosis. To keep the safety and quality of the drug, a fast quantitative method by reversed-phase ultrahigh-performance liquid chromatography coupled with tandem mass spectrometry has been developed and validated for the identification, assay and estimation of potential genotoxic impurities trimethyl phosphate and triisopropyl phosphate in commercial batches of this active pharmaceutical ingredient in accordance with International Conference on Harmonization guidelines Q2 and M7. The method was validated by assessing specificity, sensitivity, linearity, the limit of quantification and detection, accuracy, precision and robustness for above analytes at a very low concentration, whose quantification and detection limits reached to 24 and 4.8 pg/ml, respectively, and the total run time for a single injection was 6 min.
Left ventricular pseudoaneurysm after endoscopic mitral valve repair for active endocarditis
Authors: Kajiyama Koh , Hosoba Soh , Kato Riku , Ito Toshiaki
Published: May 2023

A left ventricular pseudoaneurysm is a rare complication that can occur after infective endocarditis, possibly leading to serious complications such as cardiac tamponade, rupture and recurrent infective endocarditis. We report a case of a totally-endoscopic repair of a pseudoaneurysm after endoscopic mitral valve repair. A 48-year-old woman underwent endoscopic mitral valve repair for active infective endocarditis. A left ventricular pseudoaneurysm was found 2 weeks after the surgery. The pseudoaneurysm was repaired through a left thoracotomy with a totally endoscopic platform. The postoperative course was uneventful, and there was no recurrence at 18 months. Left ventricular pseudoaneurysm may be repaired with a left thoracotomy totally endoscopic approach.
Orthostatic hypertension and major adverse events: a systematic review and meta-analysis
Authors: Pasdar Zahra , De Paola Lorenzo , Carter Ben , Pana Tiberiu A , Potter John F , Myint Phyo K
Published: May 2023

Aims

The role of orthostatic hypertension (OHT) in cardiovascular disease (CVD) and mortality is unclear. We aimed to determine if this association exists through a systematic review and meta-analysis.

Methods and results

Study inclusion criteria included: (i) any observational/interventional studies of participants aged ≥18 years (ii) that assessed the relationship between OHT and (iii) at least one outcome measure—all-cause mortality (primary outcome), coronary heart disease, heart failure, stroke/cerebrovascular disease, or neurocognitive decline. MEDLINE, EMBASE, Cochrane, clinicaltrials.gov, and PubMed were independently searched by two reviewers (inception—19 April 2022). Critical appraisals were conducted using the Newcastle–Ottawa Scale. Random-effects meta-analysis was performed using a generic inverse variance method, and narrative synthesis or pooled results were presented as an odds or hazards ratio (OR/HR), with 95% confidence interval. Twenty studies (n = 61 669; 47.3% women) were eligible, of which 13 were included in the meta-analysis (n = 55 456; 47.3% women). Median interquartile range (IQR) follow-up for prospective studies was 7.85 (4.12, 10.83) years. Eleven studies were of good quality, eight fair, and one poor. Relative to orthostatic normotension (ONT), systolic OHT (SOHT) was associated with a significant 21% greater risk of all-cause mortality (HR: 1.21, 1.05–1.40), 39% increased risk of CVD mortality based on two studies (HR: 1.39, 1.05–1.84), and near doubled odds of stroke/cerebrovascular disease (OR: 1.94, 1.52–2.48). The lack of association with other outcomes may be due to weak evidence or low statistical power.

Conclusion

Patients with SOHT may have higher mortality risk relative to those with ONT and increased odds of stroke/cerebrovascular disease. Whether interventions can reduce OHT and improve outcomes should be explored.
Effects of Interaction Method, Size, and Distance to Object on Augmented Reality Interfaces
Authors: Hussain Muhammad , Park Jaehyun , Kim Hyun K
Published: May 2023

Augmented reality (AR) technologies are becoming increasingly popular. However, studies regarding the usability of AR interfaces are scarce. This study aims to derive the optimal usability design of the AR interface by analyzing the performance of 12 interface conditions (2 button sizes × 3 distances × 2 interaction types). An experiment was conducted using Microsoft HoloLens, in which participants performed button selection tasks with an array of 3 × 3 virtual buttons. The task completion time and the number of errors were measured along with a subjective satisfaction score. The results showed that a clicker-based interaction was more effective in task completion time, the number of errors and user satisfaction than a hand gesture. Furthermore, large buttons required a significantly shorter task completion time than small buttons. There was no significant difference in the number of errors between the two sizes. A distance of at least 80 cm from the eye to the virtual object is most favorable for a good performance. There was a significant difference in the task completion times between 40 cm and 80 cm and between 40 cm and 120 cm. These results can aid the interface designs for AR applications and devices.
Identification of Radix Bupleuri From Different Geographic Origins Using Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry and Support Vector Machine Algorithm
Authors: Zhang Zheng-Yong , Zhao Ya-Ju , Guo Fang-Jie , Wang Hai-Yan
Published: May 2023

Background

The geographic origin of Radix bupleuri is an important factor affecting its efficacy, which needs to be effectively identified.

Objective

The goal is to enrich and develop the intelligent recognition technology applicable to the identification of the origin of traditional Chinese medicine.

Method

This article establishes an identification method of Radix bupleuri geographic origin based on matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) and support vector machine (SVM) algorithm. The Euclidean distance method is used to measure the similarity between Radix bupleuri samples, and the quality control chart method is applied to quantitatively describe their quality fluctuation.

Results

It is found that the samples from the same origin are relatively similar and mainly fluctuate within the control limit, but the fluctuation range is large, and it is impossible to distinguish the samples from different origins. The SVM algorithm can effectively eliminate the impact of intensity fluctuations and huge data dimensions by combining the normalization of MALDI-TOF MS data and the dimensionality reduction of principal components, and finally achieve efficient identification of the origin of Radix bupleuri, with an average recognition rate of 98.5%.

Conclusions

This newly established approach for identification of the geographic origin of Radix bupleuri has been realized, and it has the advantages of objectivity and intelligence, which can be used as a reference for other medical and food-related research.

Highlights

A new intelligent recognition method of medicinal material origin based on MALDI-TOF MS and SVM has been established.