bluuebunny/crossref_metadata_2025_split huggingface dataset:
In situ structure and dynamics of an alphacoronavirus spike protein by cryo-ET and cryo-EM
Authors: Huang Cheng-Yu , Draczkowski Piotr , Wang Yong-Sheng , Chang Chia-Yu , Chien Yu-Chun , Cheng Yun-Han , Wu Yi-Min , Wang Chun-Hsiung , Chang Yuan-Chih , Chang Yen-Chen , Yang Tzu-Jing , Tsai Yu-Xi , Khoo Kay-Hooi , Chang Hui-Wen , Hsu Shang-Te Danny 
Published: August 2022

AbstractPorcine epidemic diarrhea (PED) is a highly contagious swine disease caused by porcine epidemic diarrhea virus (PEDV). PED causes enteric disorders with an exceptionally high fatality in neonates, bringing substantial economic losses in the pork industry. The trimeric spike (S) glycoprotein of PEDV is responsible for virus-host recognition, membrane fusion, and is the main target for vaccine development and antigenic analysis. The atomic structures of the recombinant PEDV S proteins of two different strains have been reported, but they reveal distinct N-terminal domain 0 (D0) architectures that may correspond to different functional states. The existence of the D0 is a unique feature of alphacoronavirus. Here we combined cryo-electron tomography (cryo-ET) and cryo-electron microscopy (cryo-EM) to demonstrate in situ the asynchronous S protein D0 motions on intact viral particles of a highly virulent PEDV Pintung 52 strain. We further determined the cryo-EM structure of the recombinant S protein derived from a porcine cell line, which revealed additional domain motions likely associated with receptor binding. By integrating mass spectrometry and cryo-EM, we delineated the complex compositions and spatial distribution of the PEDV S protein N-glycans, and demonstrated the functional role of a key N-glycan in modulating the D0 conformation.
Multifunctional graphene heterogeneous nanochannel with voltage-tunable ion selectivity
Authors: Su Shihao , Zhang Yifan , Peng Shengyuan , Guo Linxin , Liu Yong , Fu Engang , Yao Huijun , Du Jinlong , Du Guanghua , Xue Jianming 
Published: August 2022

AbstractIon-selective nanoporous two-dimensional (2D) materials have shown extraordinary potential in energy conversion, ion separation, and nanofluidic devices; however, different applications require diverse nanochannel devices with different ion selectivity, which is limited by sample preparation and experimental techniques. Herein, we develop a heterogeneous graphene-based polyethylene terephthalate nanochannel (GPETNC) with controllable ion sieving to overcome those difficulties. Simply by adjusting the applied voltage, ion selectivity among K+, Na+, Li+, Ca2+, and Mg2+ of the GPETNC can be immediately tuned. At negative voltages, the GPETNC serves as a mono/divalent ion selective device by impeding most divalent cations to transport through; at positive voltages, it mimics a biological K+ nanochannel, which conducts K+ much more rapidly than the other ions with K+/ions selectivity up to about 4.6. Besides, the GPETNC also exhibits the promise as a cation-responsive nanofluidic diode with the ability to rectify ion currents. Theoretical calculations indicate that the voltage-dependent ion enrichment/depletion inside the GPETNC affects the effective surface charge density of the utilized graphene subnanopores and thus leads to the electrically controllable ion sieving. This work provides ways to develop heterogeneous nanochannels with tunable ion selectivity toward broad applications.
Toward a BT.2020 green emitter through a combined multiple resonance effect and multi-lock strategy
Authors: Liu Junyuan , Zhu Yunhui , Tsuboi Taiju , Deng Chao , Lou Weiwei , Wang Dan , Liu Tiangeng , Zhang Qisheng 
Published: August 2022

AbstractColor-saturated green-emitting molecules with high Commission Internationale de L’Eclairage (CIE) y values have great potential applications for displays and imaging. Here, we linked the outer phenyl groups in multiple-resonance (MR)-type blue-emitting B (boron)-N (nitrogen) molecules through bonding and spiro-carbon bridges, resulting in rigid green emitters with thermally activated delayed fluorescence. The MR effect and multiple interlocking strategy greatly suppressed the high-frequency vibrations in the molecules, which emit green light with a full-width at half-maximum of 14 nm and a CIE y value of 0.77 in cyclohexane. These were the purest green molecules with quantum efficiency and color purity that were comparable with current best quantum dots. Doping these emitters into a traditional green-emitting phosphorescence organic light-emitting diode (OLED) endowed the device with a Broadcast Service Television 2020 color-gamut, 50% improved external quantum efficiency, and an extremely high luminescence of 5.1 × 105 cd/m2, making it the greenest and brightest OLED ever reported.
Permian hypercarnivore suggests dental complexity among early amniotes
Authors: Maho Tea , Maho Sigi , Scott Diane , Reisz Robert R. 
Published: August 2022

AbstractThe oldest known complex terrestrial vertebrate community included hypercarnivorous varanopids, a successful clade of amniotes with wide geographic and temporal distributions. Little is known about their dentition and feeding behaviour, but with the unprecedented number of specimens of the varanopid Mesenosaurus from cave deposits in Oklahoma, we show that it exhibited serrations on the tooth crowns, and exceptionally rapid rates of development and reduced longevity relative to other terrestrial amniotes. In contrast, the coeval large apex predator Dimetrodon greatly increased dental longevity by increasing thickness and massiveness, whereas herbivores greatly reduced tooth replacement rates and increased dental longevity. Insectivores and omnivores represented the primitive condition and maintained modest replacement rates and longevity. The varied patterns of dental development among these early terrestrial amniotes reveal a hidden aspect of dental complexity in the emerging diverse amniote community, very soon after their initial appearance in the fossil record.
Environmentally adaptive MOF-based device enables continuous self-optimizing atmospheric water harvesting
Authors: Almassad Husam A. , Abaza Rada I. , Siwwan Lama , Al-Maythalony Bassem , Cordova Kyle E. 
Published: August 2022

AbstractHarvesting water vapor from desert, arid environments by metal-organic framework (MOF) based devices to deliver clean liquid water is critically dependent on environment and climate conditions. However, reported devices have yet been developed to adapt in real-time to such conditions during their operation, which severely limits water production efficiency and unnecessarily increases power consumption. Herein, we report and detail a mode of water harvesting operation, termed ‘adaptive water harvesting’, from which a MOF-based device is proven capable of adapting the adsorption and desorption phases of its water harvesting cycle to weather fluctuations throughout a given day, week, and month such that its water production efficiency is continuously optimized. In performance evaluation experiments in a desert, arid climate (17–32% relative humidity), the adaptive water harvesting device achieves a 169% increase in water production (3.5 LH2O kgMOF−1 d−1) when compared to the best-performing, reported active device (0.7–1.3 LH2O kgMOF−1 d−1 at 10–32% relative humidity), a lower power consumption (1.67–5.25 kWh LH2O−1), and saves time by requiring nearly 1.5 cycles less than a counterpart active device. Furthermore, the produced water meets the national drinking standards of a potential technology-adopting country.
A comprehensive modelling approach to estimate the transmissibility of coronavirus and its variants from infected subjects in indoor environments
Authors: Anand S. , Krishan Jayant , Sreekanth B. , Mayya Y. S. 
Published: August 2022

AbstractA central issue in assessing the airborne risk of COVID-19 infections in indoor spaces pertains to linking the viral load in infected subjects to the lung deposition probability in exposed individuals through comprehensive aerosol dynamics modelling. In this paper, we achieve this by combining aerosol processes (evaporation, dispersion, settling, lung deposition) with a novel double Poisson model to estimate the probability that at least one carrier particle containing at least one virion will be deposited in the lungs and infect a susceptible individual. Multiple emission scenarios are considered. Unlike the hitherto used single Poisson models, the double Poisson model accounts for fluctuations in the number of carrier particles deposited in the lung in addition to the fluctuations in the virion number per carrier particle. The model demonstrates that the risk of infection for 10-min indoor exposure increases from 1 to 50% as the viral load in the droplets ejected from the infected subject increases from 2 × 108 to 2 × 1010 RNA copies/mL. Being based on well-established aerosol science and statistical principles, the present approach puts airborne risk assessment methodology on a sound formalistic footing, thereby reducing avoidable epistemic uncertainties in estimating relative transmissibilities of different coronavirus variants quantified by different viral loads.
Digital artifacts reveal development and diffusion of climate research
Authors: Carneiro Bia , Resce Giuliano , Sapkota Tek B 
Published: August 2022

AbstractResearch for development organizations generate tremendous amount of accessible knowledge, but given their scale, time and resource constraints, the impact of outputs is not systematically analyzed. This is because traditional bibliometric analyses present limitations to synthesize accumulated knowledge and retrofitting indicators to historical outputs. To address these shortcomings, this study proposes an integrated, web-based approach to systematically analyze the production and diffusion of knowledge from large-scale research programs, using climate research of the International Maize and Wheat Improvement Center (CIMMYT) as a case study. Our analytical framework employs text mining, social network analysis and hyperlink analysis to an unstructured mass of publicly available digital artifacts such as institutional repositories, citation databases, and social media to uncover narratives, dynamics, and relationships. Findings show CIMMYT’s climate research is strongly incorporated into a holistic systems approach and that the institution is actively engaged in knowledge exchanges with key actors from the scientific, development and public policy communities. The proposed analytical framework establishes an effective approach for research for development organizations to leverage existing online data sources to assess the extent of their knowledge production, dissemination, and reach.
EmBody/EmFace as a new open tool to assess emotion recognition from body and face expressions
Authors: Lott Lea L. , Spengler Franny B. , Stächele Tobias , Schiller Bastian , Heinrichs Markus 
Published: August 2022

AbstractNonverbal expressions contribute substantially to social interaction by providing information on another person’s intentions and feelings. While emotion recognition from dynamic facial expressions has been widely studied, dynamic body expressions and the interplay of emotion recognition from facial and body expressions have attracted less attention, as suitable diagnostic tools are scarce. Here, we provide validation data on a new open source paradigm enabling the assessment of emotion recognition from both 3D-animated emotional body expressions (Task 1: EmBody) and emotionally corresponding dynamic faces (Task 2: EmFace). Both tasks use visually standardized items depicting three emotional states (angry, happy, neutral), and can be used alone or together. We here demonstrate successful psychometric matching of the EmBody/EmFace items in a sample of 217 healthy subjects with excellent retest reliability and validity (correlations with the Reading-the-Mind-in-the-Eyes-Test and Autism-Spectrum Quotient, no correlations with intelligence, and given factorial validity). Taken together, the EmBody/EmFace is a novel, effective (< 5 min per task), highly standardized and reliably precise tool to sensitively assess and compare emotion recognition from body and face stimuli. The EmBody/EmFace has a wide range of potential applications in affective, cognitive and social neuroscience, and in clinical research studying face- and body-specific emotion recognition in patient populations suffering from social interaction deficits such as autism, schizophrenia, or social anxiety.
Effects of vegetation spatial pattern on erosion and sediment particle sorting in the loess convex hillslope
Authors: Su Yuanyi , Zhang Yang , Wang Huanyuan , Zhang Tingyu 
Published: August 2022

AbstractTo address the problem of serious soil erosion on the Loess Plateau, under the conditions of limited vegetation measures, the runoff erosion characteristics and erosion sediment sorting characteristics of vegetation at different positions on the upper slope of convex hillslopes are investigated, and the optimal vegetation spatial pattern is proposed according to the benefits of water storage and sediment reduction at different vegetation positions. The fluctuation degree of flow discharge per unit area of different vegetation spatial patterns is small, and the variation process of sediment discharge per unit area of each vegetation spatial pattern fluctuated sharply with the increase of runoff time. After planting vegetation on the slope, the total runoff yield and sediment yield were reduced. The runoff yield reduction benefit was 19.65% when the grass belt was 6 m away from the slope top; and the sediment yield reduction benefit was more than 70% when the grass belt was 2 m away from the slope top. Under the condition of hydraulic erosion on the slope covered with vegetation, the erosion particles are mainly fine particles, with high silt content and relatively small sand content. The farther the vegetation is arranged from the slope top, the more easily silt of size 0.002–0.05 mm is eroded. The higher effectiveness in terms of reductions of both runoff and sediment yields were obtained when the vegetation is planted in the proximity of the end of the length of the slope.
Application of two-component neural network for exchange-correlation functional interpolation
Authors: Ryabov Alexander , Akhatov Iskander , Zhilyaev Petr 
Published: August 2022

AbstractDensity functional theory (DFT) is one of the primary approaches to solving the many-body Schrodinger equation. The essential part of the DFT theory is the exchange-correlation (XC) functional, which can not be obtained in analytical form. Accordingly, the accuracy improvement of the DFT is mainly based on the development of XC functional approximations. Commonly, they are built upon analytic solutions in low- and high-density limits and result from quantum Monte Carlo or post-Hartree-Fock numerical calculations. However, there is no universal functional form to incorporate these data into XC functional. Instead, various parameterizations use heuristic rules to build a specific XC functional. The neural network (NN) approach to interpolate the data from higher precision theories can give a unified path to parametrize an XC functional. Moreover, data from many existing quantum chemical databases could provide the XC functional with improved accuracy. We develop NN XC functional, which gives exchange potential and energy density without direct derivatives of exchange-correlation energy density. Proposed NN architecture consists of two parts NN-E and NN-V, which could be trained in separate ways, adding new flexibility to XC functional. We also show that the developed NN XC functional converges in the self-consistent cycle and gives reasonable energies when applied to atoms, molecules, and crystals.
Radiomics and deep learning methods for the prediction of 2-year overall survival in LUNG1 dataset
Authors: Braghetto Anna , Marturano Francesca , Paiusco Marta , Baiesi Marco , Bettinelli Andrea 
Published: August 2022

AbstractIn this study, we tested and compared radiomics and deep learning-based approaches on the public LUNG1 dataset, for the prediction of 2-year overall survival (OS) in non-small cell lung cancer patients. Radiomic features were extracted from the gross tumor volume using Pyradiomics, while deep features were extracted from bi-dimensional tumor slices by convolutional autoencoder. Both radiomic and deep features were fed to 24 different pipelines formed by the combination of four feature selection/reduction methods and six classifiers. Direct classification through convolutional neural networks (CNNs) was also performed. Each approach was investigated with and without the inclusion of clinical parameters. The maximum area under the receiver operating characteristic on the test set improved from 0.59, obtained for the baseline clinical model, to 0.67 ± 0.03, 0.63 ± 0.03 and 0.67 ± 0.02 for models based on radiomic features, deep features, and their combination, and to 0.64 ± 0.04 for direct CNN classification. Despite the high number of pipelines and approaches tested, results were comparable and in line with previous works, hence confirming that it is challenging to extract further imaging-based information from the LUNG1 dataset for the prediction of 2-year OS.
Risk factors of early pulmonary hypertension and its clinical outcomes in preterm infants: a systematic review and meta-analysis
Authors: Kim Yoo Jinie , Shin Seung Han , Park Hye Won , Kim Ee-Kyung , Kim Han-Suk 
Published: August 2022

AbstractThe aim of this meta-analysis was to determine the incidence and risk factors of early pulmonary hypertension (PHT) in preterm infants and evaluate the association of early PHT with morbidities such as bronchopulmonary dysplasia (BPD), late PHT, and in-hospital mortality. We searched the PubMed (1980–2021), Embase (1968–2021), CINAHL (2002–2021), Cochrane library (1989–2021), and KoreaMed (1993–2021). Observational studies on the association between early PHT diagnosed within the first 2 weeks after birth and its clinical outcomes in preterm infants born before 37 weeks of gestation or with very low birth weight (< 1500 g) were included. Two authors independently extracted the data and assessed the quality of each study using a modified Newcastle–Ottawa Scale. We performed meta-analysis using Comprehensive Meta-Analysis version 3.3. A total of 1496 potentially relevant studies were found, of which 8 studies (7 cohort studies and 1 case–control study) met the inclusion criteria comprising 1435 preterm infants. The event rate of early PHT was 24% (95% confidence interval [CI] 0.174–0.310). The primary outcome of our study was moderate to severe BPD at 36 weeks postmenstrual age, and it was associated with early PHT (6 studies; odds ratio [OR] 1.682; 95% CI 1.262–2.241; P < 0.001; heterogeneity: I2 = 0%; P = 0.492). Preterm infants with early PHT had higher OR of in-hospital mortality (6 studies; OR 2.372; 95% CI 1.595–3.528; P < 0.001; heterogeneity: I2 = 0%; P = 0.811) and developing late PHT diagnosed after 4 weeks of life (4 studies; OR 2.877; 95% CI 1.732–4.777; P < 0.001; heterogeneity: I2 = 0%; P = 0.648). Infants with oligohydramnios (4 studies; OR 2.134; 95% CI 1.379–3.303; P = 0.001) and those who were small-for-gestational-age (5 studies; OR 1.831; 95% CI 1.160–2.890; P = 0.009) had an elevated risk of developing early PHT. This study showed that early PHT is significantly associated with mortality and morbidities, such as BPD and late PHT. Preterm infants with a history of oligohydramnios and born small-for-gestational-age are at higher risk for developing early PHT; however, high-quality studies that control for confounders are necessary.
Seismic evidence of pop-up tectonics beneath the Shillong Plateau area of Northeast India
Authors: Singh A. P. , Mishra O. P. , Singh O. P. 
Published: August 2022

AbstractOur detailed 3-D seismic tomographic assimilation using high-quality phase arrival time data recorded by the local seismographic network demonstrated that heterogeneities in the crustal faults have contributed significantly to the pop-up tectonics beneath the Shillong Plateau, characterized by high-V and low-σ. The major seismogenic faults, namely, the north-dipping Dapsi thrust in association with Dauki fault in the south and south dipping Brahmaputra fault in the north, located either side of the Shillong Plateau that acted as the causative factors for the pop-up, which attributed to the lithostatic (high-V, low-σ) and sedimentary (low-V, high-σ) load, respectively. Seismicity is found confined to a depth ≤ 60 km. Uneven distribution of structural heterogeneities in the upper crust is responsible for earthquake genesis of varying strengths. It is intriguing to note that high-velocity anomalies and low-ϭ in the uppermost crust, interpreted as the Shillong Plateau that acted as a geometric asperity and the juxtaposition of high-V and low-V became the source zone of the 1897 Shillong earthquake (Ms8.7) as a novel observation for the region. Structural heterogeneities are distinctly distributed between low-V, high-σ and high-V, low-σ in the lower crust plays a major role for future intense seismogenesis due to differential strain accumulation.
Impact of behavioral and psychological symptoms of Alzheimer’s disease on caregiver outcomes
Authors: Pinyopornpanish Kanokporn , Soontornpun Atiwat , Wongpakaran Tinakon , Wongpakaran Nahathai , Tanprawate Surat , Pinyopornpanish Kanokwan , Nadsasarn Angkana , Pinyopornpanish Manee 
Published: August 2022

AbstractThis study was to determine the prevalence of behavioral and psychological symptoms of dementia (BPSD) and its association with dementia severity and to explore the association between specific BPSD and caregiver stress, burden, and depression. A cross-sectional study involving the interviewing of the primary caregivers of patients with Alzheimer’s disease (AD) was conducted. Multivariable analysis was used to analyze the associations between specific symptoms of BPSD and caregiver outcomes. A total of 102 AD patients (age 79.4 ± 7.9 years, 70.6% female) and their caregivers were included. Nearly 46% had moderate-to-severe AD. Nearly all patients (99.0%) had at least one BPSD. Apathy was among the most common symptoms (74.5%), and hallucination was the only symptom associated with severity of AD (p = 0.017). After adjustment, agitation was associated with Patient Health Questionnaire-9 (PHQ-9) and Zarit Burden Interview (ZBI-22) (p = 0.021 and 0.007, respectively); sleep disorders were associated with only PHQ-9 (p = 0.049). In conclusion, the BPSD, especially agitation and sleep disorders, can give rise to difficulties for both patients and their caregivers. The prevalence of BPSD is high (99.0%), and the symptoms can start early. Routine screening of BPSD in all AD patients is advocated.