bluuebunny/crossref_metadata_2025_split huggingface dataset:
Transverse‐Electric‐Polarized Polaritons Propagating in a WS2/Si3N4/Ag Heterostructure
Authors: Li Shulei , Zhou Lidan , Deng Fu , Xiang Jin , Panmai Mingcheng , Huang Hongxing , Li Guangcan , Chen Jingdong , Lan Sheng 
Published: August 2022

AbstractStrong light–matter interaction has attracted great interest due to its potential applications in photonic and plasmonic devices. So far, many studies focus on micro‐ and nanocavities with three‐dimensional confinement of light. Here, we investigate the coupling between the surface waves supported by a dielectric‐metal heterostructure and the excitons in a two‐dimensional material. It is revealed that the transverse‐electric (TE) polarized waves excited in the dielectric‐metal heterostructure possess significantly enhanced in‐plane electric field on the surface of the dielectric layer. This unique property makes it possible to realize strong photon–exciton coupling with the excitons in a two‐dimensional material. By using a tungsten disulfide (WS2)/silicon nitride (Si3N4)/silver (Ag) heterostructure, we demonstrate the strong coupling of the TE polarized waves with the two excitons (both A and B excitons) in the WS2 monolayer, creating TE polarized polaritons propagating in the heterostructure. The strong photon–exciton coupling is revealed in the angle‐resolved reflection or scattering spectra with a Rabi splitting larger than the average damping rate of the TE polarized wave and the exciton. Our findings open new horizons for manipulating light–matter interaction in two‐dimensional nanostructures and indicate the potential applications of such propagating polaritons in photonic and plasmonic devices.
Investigation of the Second Harmonic Generation at the Water–Vacuum Interface by Using Multi‐Scale Modeling Methods
Authors: Ramos Tárcius N. , Champagne Benoît 
Published: August 2022

AbstractThe Sequential Quantum Mechanics/Molecular Mechanics scheme has been enacted to perform a systematic investigation of the polarizability (α) and first hyperpolarizability (β) responses at the water–vacuum interface. After performing classical molecular dynamics simulations to provide snapshots of the structures, quantum chemistry calculations of the linear and nonlinear optical responses have been performed for clusters of five water molecules at the time‐dependent DFT level in combination with different embedding schemes, ranging from point charges to polarizable point charges, with and without local field effects. When going from the bulk to the interface, the main observations of these calculations encompass i) a modest increase of the average polarizability but an increase by about a factor of two of its anisotropy, ii) an increase by about 20 % of theβHRSresponse, accompanied by a small increase of its depolarization ratio, and iii) a net increase of the component of theβtensor normal to the interface (βzzz) as well as ofβ//. Globally, the interfacial effects onβare localized at the first molecular layer while they are observed up to the fourth molecular layer onα.
Communicating nature during lockdown – How conservation and outdoor organisations use social media to facilitate local nature experiences
Authors: Arts Irma , Duckett Dominic , Fischer Anke , van der Wal René 
Published: August 2022

Abstract

Social media impact not only our communication and social interactions but also our relationships to the natural environment. Social media can increase understanding of our environment by offering information and sharing calls to action, while at the same time, they might present a glamourised, standardised picture of nature and distract from actual outdoor interactions.

The COVID‐19 pandemic presents a unique opportunity to study the spaces created for interactions between the online and offline natural world, especially in countries where movement and thus outdoor activities were restricted during lockdowns. To understand these interactions, we investigated the social media communication of nature conservation and outdoor organisations by analysing Twitter posts of four prominent NGOs in Scotland.

We found that during the first COVID‐19‐induced UK lockdown in spring 2020, Scottish nature conservation and outdoor organisations made distinctive efforts in supporting followers to connect with nature in the face of restrictions. Organisations showed signs of moving towards community‐building through sharing experiences often related to nearby nature, while calls for environmental action, more prominent in the previous year, receded in relative importance.

Emphasis was put on sensory engagement with, and finding solace in the rhythm of, nature. References to taking action to protect nature now became linked to a green recovery from the pandemic.

We conclude that NGOs used social media not as a space separate from the outdoors, but as an augmented space where online and offline interactions were interwoven and a space in which during the COVID‐19 pandemic, new avenues for engagement were being explored.

Read the free Plain Language Summary for this article on the Journal blog.
Distress in soft‐tissue sarcoma and gastrointestinal stromal tumours patients—Results of a German multicentre observational study (PROSa)
Authors: Eichler Martin , Hentschel Leopold , Singer Susanne , Hornemann Beate , Hohenberger Peter , Kasper Bernd , Andreou Dimosthenis , Pink Daniel , Jakob Jens , Arndt Karin , Kirchberg Johanna , Richter Stephan , Bornhäuser Martin , Schmitt Jochen , Schuler Markus K. 
Published: August 2022

AbstractObjectiveSoft tissue sarcomas (STS) and gastrointestinal stromal tumours (GIST) are a group of rare malignant tumours with a high and heterogenous disease burden. As evidence is scarce, we analysed the prevalence of increased emotional distress and identified distress‐associated factors in these patients.MethodsThe PROSa‐study (Burden and medical care of sarcoma) was conducted between 2017 and 2020 in 39 study centres. Cross‐sectional data from adult STS and GIST patients were analysed. Distress was measured with the Patient Health Questionnaire (PHQ‐4). The relation of socioeconomic and clinical factors with distress was explored in adjusted logistic regression models.ResultsAmong 897 patients, 17% reported elevated anxiety and 19% reported depression. Unemployed patients (odds ratio [OR] 6.6; 95% CI 2.9–15.0), and those with a disability pension (OR 3.1; 95% CI 1.9–5.0) were more likely to experience distress compared to employed patients. Also, patients with a disability pass had higher odds of increased distress than those without (OR 1.8; 95% CI 1.2–2.7). Lowest distress was observed in patients 2 to <5 years and ≥5 years after diagnosis (comparison: <6 months) (OR 0.4; 95% CI 0.2–0.6) and (0.3; 95% CI 0.2–0.6). Patients with thoracic STS (vs. lower limbs) had twice the odds to experience distress (OR 2.0; 95% CI 1.1–3.6). Distress was seen almost twice as often in patients with progressive disease (vs. complete remission) (OR 1.7; 95% CI 1.1–2.8).ConclusionThe prevalence of elevated distress in STS and GIST patients is high. In unemployed patients, in those with a disability pension and in newly diagnosed patients a noticeable increase was observed. Clinicians should be aware of these factors and consider the social aspects of the disease.
Mechanical effects of obesity on central and peripheral airway resistance in nonasthmatic early pubescent children
Authors: Wilhite Daniel P. , Bhammar Dharini M. , Martinez‐Fernandez Tanya , Babb Tony G. 
Published: August 2022

AbstractBackgroundIn children, obesity typically reduces functional residual capacity (FRC), which reduces airway caliber and increases airway resistance. Whether these obesity‐related changes in respiratory function can alter bronchodilator responsiveness is unknown.ObjectiveTo investigate bronchodilator responsiveness in nonasthmatic children with and without obesity.MethodsSeventy nonasthmatic children, 8−12 years old, without (n = 19) and with (n = 51) obesity, completed spirometry, impulse oscillometry, and airway resistance measurements through plethysmography pre/post 360 µg of inhaled albuterol. FRC was assessed pre albuterol. A two‐way analysis of variance determined the effects of obesity (group) and inhaled albuterol (pre−post) on outcome measures.ResultsFRC (%total lung capacity) was 16% lower in children with obesity compared with those without obesity. There was no significant group by pre−post albuterol interaction on any outcome variables. Albuterol inhalation reduced total, central and peripheral airway resistance and increased airway reactance (i.e., less negative) to a similar degree in children with and without obesity. In children with obesity, airway resistance was increased whether measured by impulse oscillometry or plethysmography. However, once airway resistance was adjusted for lung volumes (i.e., specific airway resistance or sRaw), there were no differences between children with and without obesity. In addition, significant but moderate associations were detected between chest mass and FRC (r = −0.566; p < 0.001), FRC and total airway resistance (i.e., Raw; r = −0.445; p < 0.001).ConclusionsIn nonasthmatic early pubescent children, obesity increases total, central, and peripheral respiratory system resistance. However, the added respiratory system resistance and low lung volume breathing with obesity are not sufficient to reduce bronchodilator responsiveness.
Analysis of adverse drug reactions of Osimertinib in the 2nd‐line treatment of EGFR mutant advanced nonsmall cell lung cancer
Authors: Jiang Yingying , Shi Yue , Wang Zihan , Li Hang , Wang Zhitong , He Kang , Ma Yuxin , Xue Jingjing , Shi Yumeng , Lu Jianwei , Shi Meiqi , Shen Bo , Zhou Guoren , Wang Xiaohua , Chen Cheng , Feng Jifeng 
Published: August 2022

AbstractThe aim was to analyze the clinical characteristics of adverse drug reactions (ADRs) induced by Osimertinib and their effects on the prognosis, so as to further provide reference for clinical medication. This was a retrospective study, and 66 nonsmall cell lung cancer (NSCLC) patients who had ADR in the 2nd‐line treatment with Osimertinib from January 2017 to December 2018 were included. Clinical characteristics and survival in subgroups of Osimertinib‐related ADRs were analyzed. The majority of patients who developed ADRs after the 2nd‐line treatment of Osimertinib were mainly middle‐aged and elderly women. Osimertinib‐related ADRs were mainly found in the skin, respiratory and digestive systems. The most common ADRs were rash (69.70%), diarrhea (66.67%), stomatitis (54.55%), and fatigue (51.52%). The degree of Osimertinib‐related ADRs was tolerable. Only seven patients experienced grade 3 ADRs, all of which involved the skin system. Exactly 92.42% of patients had more than two adverse reactions. The median PFS was influenced by the type, quantity, and severity of Osimertinib‐related ADRs. Osimertinib‐related ADRs are closely related to the prognosis of patients so that more attention should be paid to monitoring the occurrence of ADRs in clinical use of Osimertinib, especially ADRs in the skin, respiratory system and digestive system.
Ab initio study of hypothetical Ti3AlB2 and two new designed layered ordered double‐transition metals MAX compound Ti2ZrAlB2
Authors: Feng Shiquan , Guo Feng , Wang Yongqiang , Yuan Chaosheng , Cheng Xuerui , Miao Feng 
Published: August 2022

AbstractWe have designed Ti3AlB2 and two new layered ordered double‐transition metals MAX compound Ti2ZrAlB2 based on the structure of Ti3AlC2. By first‐principles calculations with density functional theory, their structure, phase stability, elastic properties, electronic properties, and thermal properties have been further investigated. Results show that they are all energetic, thermodynamically and mechanically stable. The bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and Debye temperature were computed to discuss their elastic and thermal properties. Results show that they are all good ductile materials with high melting points. Density of states and electron localization function of these three phases were presented to research the chemical bonds and explore the reason limiting their melting points.
Pd/Cu2O/CuO as Active Sites on the Cyclometalated Pd(II)/Cu(II) Nanosheet: Active Centre Formation, Synergistic and Catalytic Mechanism
Authors: Zhu Shuiqing , Li Zihan , Ren Ruirui , Zhao Wuduo , Li Tiesheng , Liu Minghua , Wu Yangjie 
Published: August 2022

AbstractA key to understand relationships between structure and activity is help for rational designing high active catalytic films. In this research, a new bi‐cyclometallic ferrocene imine Pd(II)/Cu(II) catalytic monolayer supported on graphene oxide (GO@Fcl−Pd/Cu) was fabricated, which exhibited a higher activity (TOF=1.48×106 h−1) in Suzuki coupling reaction. Enhanced higher activity was related to the in situ formed Pd/ Cu2O (CuO) active centre on the surface during catalysis. Fe in ferrocene had the redox ability for making Pd0 more stability, meaning that Fe3+ was electron withdraw or donor during catalytic process, which could tune the electronic properties of the Pd and Cu in one complex and improve their electronic transferring to boost the activity. CuO/Cu2O could make Pd0 more negative and stability. Ensemble synergistic effect, including the metals, metal oxide, ligand and GO could be described as that the electron transferred from GO via ferrocene to Pd or via Cu(II) to Pd made more negative, improving the oxidative addition. Meanwhile, aryl boronic acid adsorbed on the vicinal Cu(II), Cu2O and CuO around Pd0 synergetic reaction easily with the Pd intermediate to form next intermediate.
Electrochemically Tuned Synergistic Nano‐Interface of a Tertiary Ni(OH)2−NiO(OH)/NixP Heterojunction Material for Enhanced and Durable Alkaline Water Splitting
Authors: Manappadan Zinoy , Selvaraj Kaliaperumal 
Published: August 2022

AbstractMaking water splitting cheaper is the need of the hour.The present work reports a nickel‐based, non‐precious catalytic system, synthesized by a two‐step electrodeposition (ED) process followed by a short‐term heat treatment. The Ni(OH)2−NiO(OH)/NixP heterojunction has been synthesized and optimized through an unprecedented, energy‐conserving method to achieve its best OER performance. Further, it has been carefully tuned for the first time by thoroughly optimizing the ED parameters to exhibit Hydrogen Evolution Reaction (HER). At high current regimes, the performance surpassed that of the Ru/C and Pt/C (≥500 mA and ≥600 mA) respectively. The full cell electrolyzer configuring NOPO||NOPH further establishes the supremacy of the present electrocatalysts over the benchmark Ru/C||Pt/C. Moreover, the present electrocatalyst displayed 60 and 70 hours of HER and OER performances at −100 mA and 100 mA currents respectively. In short, this work is an example that illustrates how a single chemical system gets to exhibit two complementary catalytic behaviors that is, water oxidation and reduction when certain synthetic parameters are meticulously optimized.
Photometric and Colorimetric Cyanide Detection Sensor Using Amine Based Nitrobenzoxadiazole Derivatives
Authors: Balagurusamy Balajothi , Ilayaperumal Pradeep , Chellaiah Raja 
Published: August 2022

AbstractThe fluorescent probes 7‐nitro‐N‐phenylbenzo[c][1,2,5]oxadiazol‐4‐amine (1), and 4‐((7‐nitrobenzo[c][1,2,5]oxadiazol‐4‐yl)amino)benzonitrile (2) were synthesised for the detection of cyanide ion (CN−). A new correlative approach with nitrobenzoxadiazole (NBD)‐based probes to detecting CN− by the Donor‐Acceptor D‐A (1) and Acceptor‐Donor‐Acceptor (A‐D‐A) (2) with the aid of DFT calculations are reported. Given their design features, these NBD probes 1 and 2 provide useful insights into the dual‐channel (fluorometric and colorimetric) sensor activity with good selectivity for CN− detection, considerable fluorescence amplification in the presence of CN− ion, and the desirable “Off–on” fluorescent responses toward CN− in the semi‐aqueous medium. The photophysical studies confirmed the A‐D‐A type molecule has a detection limit 0.163 μM for CN− sensing, which is lower than the WHO′s cyanide in water permitted limit. The simple synthetic probes 1 and 2 will offer up new possibilities for industrial effluent CN− detection and bio‐imaging of CN− in a variety of cell lines. This will undoubtedly aid in the understanding of the basic mechanism of CN− poisoning in the bloodstream.
Fully Fibrous Large‐Area Tailorable Triboelectric Nanogenerator Based on Solution Blow Spinning Technology for Energy Harvesting and Self‐Powered Sensing
Authors: Xu Huayu , Tao Juan , Liu Yue , Mo Yepei , Bao Rongrong , Pan Caofeng 
Published: August 2022

AbstractAn all‐fibrous large‐area (20 × 50 cm2) tailorable triboelectric nanogenerator (LT‐TENG) is prepared using a one‐step solution blow spinning technology, which has the advantages of easy operation, scale‐up in the area, and high production efficiency. The prepared LT‐TENG is composed of polyvinylidene fluoride (PVDF)/MXene (Ti3C2Tx) nanofibers (NFs) and conductive textile. Benefiting from the fibrous materials and large‐area properties, the LT‐TENG possesses the merits of good tailorability, breathability, hydrophobicity, and washability. When optimized by mixing the MXene into PVDF NFs, the LT‐TENG has a preferable output and sensing property, with a detection range over 16 kPa and a relatively high sensitivity of 12.33 V KPa−1. At maximum applied pressure, the voltage, current, and charge are 108 V, 38 µA, and 35 nC, respectively. This LT‐TENG can serve as a biomechanical energy harvester when used as wearable devices with an output power density of 12.6 mW m−2 at an external load resistance of 500 MΩ, and it also has the ability of self‐powered tactile sensing for pressure mapping and slide sensing. Thus, this LT‐TENG exhibits great potential prospects in wearable devices, intelligent robots, and human–machine interaction.
A Sandwich‐Type Electrochemical Immunosensor for Insulin Detection Based on Au‐Adhered Cu5Zn8 Hollow Porous Carbon Nanocubes and AuNP Deposited Nitrogen‐Doped Holey Graphene
Authors: Sakthivel Rajalakshmi , Prasanna Sanjay Ballur , Tseng Ching‐Li , Lin Lu‐Yin , Duann Yeh‐Fang , He Jr‐Hau , Chung Ren‐Jei 
Published: August 2022

AbstractRapid, accurate, and sensitive insulin detection is crucial for managing and treating diabetes. A simple sandwich‐type electrochemical immunosensor is engineered using gold nanoparticle (AuNP)‐adhered metal–organic framework‐derived copper–zinc hollow porous carbon nanocubes (Au@Cu5Zn8/HPCNC) and AuNP‐deposited nitrogen‐doped holey graphene (NHG) are used as a dual functional label and sensing platform. The results show that identical morphology and size of Au@Cu5Zn8/HPCNC enhance the electrocatalytic active sites, conductivity, and surface area to immobilize the detection antibodies (Ab2). In addition, AuNP/NHG has the requisite biocompatibility and electrical conductivity, which facilitates electron transport and increases the surface area of the capture antibody (Ab1). Significantly, Cu5Zn8/HPCNC exhibits necessary catalytic activity and sensitivity for the electrochemical reduction of H2O2 using (i–t) amperometry and improves the electrochemical response in differential pulse voltammetry. Under optimal conditions, the immunosensor for insulin demonstrates a wide linear range with a low detection limit and viable specificity, stability, and reproducibility. The platform's practicality is evaluated by detecting insulin in human serum samples. All these characteristics indicate that the Cu5Zn8/HPCNC‐based biosensing strategy may be used for the point‐of‐care assay of diverse biomarkers.
Neurodegeneration in multiple sclerosis
Authors: Mey Gabrielle M. , Mahajan Kedar R. , DeSilva Tara M. 
Published: August 2022

AbstractAxonal loss in multiple sclerosis (MS) is a key component of disease progression and permanent neurologic disability. MS is a heterogeneous demyelinating and neurodegenerative disease of the central nervous system (CNS) with varying presentation, disease courses, and prognosis. Immunomodulatory therapies reduce the frequency and severity of inflammatory demyelinating events that are a hallmark of MS, but there is minimal therapy to treat progressive disease and there is no cure. Data from patients with MS, post‐mortem histological analysis, and animal models of demyelinating disease have elucidated patterns of MS pathogenesis and underlying mechanisms of neurodegeneration. MRI and molecular biomarkers have been proposed to identify predictors of neurodegeneration and risk factors for disease progression. Early signs of axonal dysfunction have come to light including impaired mitochondrial trafficking, structural axonal changes, and synaptic alterations. With sustained inflammation as well as impaired remyelination, axons succumb to degeneration contributing to CNS atrophy and worsening of disease. These studies highlight the role of chronic demyelination in the CNS in perpetuating axonal loss, and the difficulty in promoting remyelination and repair amidst persistent inflammatory insult. Regenerative and neuroprotective strategies are essential to overcome this barrier, with early intervention being critical to rescue axonal integrity and function. The clinical and basic research studies discussed in this review have set the stage for identifying key propagators of neurodegeneration in MS, leading the way for neuroprotective therapeutic development.This article is categorized under:
Immune System Diseases > Molecular and Cellular Physiology
Neurological Diseases > Molecular and Cellular Physiology
QCD factorization of quasi generalized quark distributions
Authors: Ma J. P. , Pang Z. Y. , Zhang G. P. 
Published: August 2022

Abstract
We study the factorization of quasi generalized quark distributions with twist-2 generalized parton distributions. We use an approach which is different than that used in literature. Using the approach we derive the factorization relations of all quasi generalized quark distributions at one-loop. The contributions from twist-2 generalized gluon distributions are included. Our results apply not only to the quasi distributions of a spin-1/2 hadron but also to those of a hadron with any spin.
Super-resolution data assimilation
Authors: Barthélémy Sébastien , Brajard Julien , Bertino Laurent , Counillon François 
Published: August 2022

AbstractIncreasing model resolution can improve the performance of a data assimilation system because it reduces model error, the system can more optimally use high-resolution observations, and with an ensemble data assimilation method the forecast error covariances are improved. However, increasing the resolution scales with a cubical increase of the computational costs. A method that can more effectively improve performance is introduced here. The novel approach called “Super-resolution data assimilation” (SRDA) is inspired from super-resolution image processing techniques and brought to the data assimilation context. Starting from a low-resolution forecast, a neural network (NN) emulates the fields to high-resolution, assimilates high-resolution observations, and scales it back up to the original resolution for running the next model step. The SRDA is tested with a quasi-geostrophic model in an idealized twin experiment for configurations where the model resolution is twice and four times lower than the reference solution from which pseudo-observations are extracted. The assimilation is performed with an Ensemble Kalman Filter. We show that SRDA outperforms both the low-resolution data assimilation approach and a version of SRDA with cubic spline interpolation instead of NN. The NN’s ability to anticipate the systematic differences between low- and high-resolution model dynamics explains the enhanced performance, in particular by correcting the difference of propagation speed of eddies. With a 25-member ensemble at low resolution, the SRDA computational overhead is 55% and the errors reduce by 40%, making the performance very close to that of the high-resolution system (52% of error reduction) that increases the cost by 800%. The reliability of the ensemble system is not degraded by SRDA.