bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tailoring high-energy storage NaNbO3-based materials from antiferroelectric to relaxor states
Authors: Zhang Mao-Hua , Ding Hui , Egert Sonja , Zhao Changhao , Villa Lorenzo , Fulanović Lovro , Groszewicz Pedro B. , Buntkowsky Gerd , Kleebe Hans-Joachim , Albe Karsten , Klein Andreas , Koruza Jurij 
Published: March 2023

AbstractReversible field-induced phase transitions define antiferroelectric perovskite oxides and lay the foundation for high-energy storage density materials, required for future green technologies. However, promising new antiferroelectrics are hampered by transition´s irreversibility and low electrical resistivity. Here, we demonstrate an approach to overcome these problems by adjusting the local structure and defect chemistry, delivering NaNbO3-based antiferroelectrics with well-defined double polarization loops. The attending reversible phase transition and structural changes at different length scales are probed by in situ high-energy X-ray diffraction, total scattering, transmission electron microcopy, and nuclear magnetic resonance spectroscopy. We show that the energy-storage density of the antiferroelectric compositions can be increased by an order of magnitude, while increasing the chemical disorder transforms the material to a relaxor state with a high energy efficiency of 90%. The results provide guidelines for efficient design of (anti-)ferroelectrics and open the way for the development of new material systems for a sustainable future.
Non-Abelian effects in dissipative photonic topological lattices
Authors: Parto Midya , Leefmans Christian , Williams James , Nori Franco , Marandi Alireza 
Published: March 2023

AbstractTopology is central to phenomena that arise in a variety of fields, ranging from quantum field theory to quantum information science to condensed matter physics. Recently, the study of topology has been extended to open systems, leading to a plethora of intriguing effects such as topological lasing, exceptional surfaces, as well as non-Hermitian bulk-boundary correspondence. Here, we show that Bloch eigenstates associated with lattices with dissipatively coupled elements exhibit geometric properties that cannot be described via scalar Berry phases, in sharp contrast to conservative Hamiltonians with non-degenerate energy levels. This unusual behavior can be attributed to the significant population exchanges among the corresponding dissipation bands of such lattices. Using a one-dimensional example, we show both theoretically and experimentally that such population exchanges can manifest themselves via matrix-valued operators in the corresponding Bloch dynamics. In two-dimensional lattices, such matrix-valued operators can form non-commuting pairs and lead to non-Abelian dynamics, as confirmed by our numerical simulations. Our results point to new ways in which the combined effect of topology and engineered dissipation can lead to non-Abelian topological phenomena.
Enhanced nonlinear optomechanics in a coupled-mode photonic crystal device
Authors: Burgwal Roel , Verhagen Ewold 
Published: March 2023

AbstractThe nonlinear component of the optomechanical interaction between light and mechanical vibration promises many exciting classical and quantum mechanical applications, but is generally weak. Here we demonstrate enhancement of nonlinear optomechanical measurement of mechanical motion by using pairs of coupled optical and mechanical modes in a photonic crystal device. In the same device we show linear optomechanical measurement with a strongly reduced input power and reveal how both enhancements are related. Our design exploits anisotropic mechanical elasticity to create strong coupling between mechanical modes while not changing optical properties. Additional thermo-optic tuning of the optical modes is performed with an auxiliary laser and a thermally-optimised device design. We envision broad use of this enhancement scheme in multimode phonon lasing, two-phonon heralding and eventually nonlinear quantum optomechanics.
Observation of Chiral-selective room-temperature phosphorescence enhancement via chirality-dependent energy transfer
Authors: Chen Biao , Huang Wenhuan , Zhang Guoqing 
Published: March 2023

AbstractPure organic room-temperature phosphorescence (RTP), particularly from guest-host doped systems, has seen exponential growth in the last several years due to their high modulation flexibility, and yet challenges remain with respect to mechanistic elucidations and advantageous applications. Here we show that by constructing guest-host doped RTP systems from chiral components, namely, chiral amino compound-modified phthalimide hosts and naphthalimide guests, a chiral-selective RTP enhancement phenomenon can be observed. For example, R-enantiomeric guests in R-enantiomeric hosts produce strong red RTP afterglow while no appreciable RTP could be observed in the S-R guest-host counterpart. An unprecedented RTP intensity difference > 102 folds with the ability to distinguish an enantiomeric excess of 98% could be achieved. Temperature-dependent measurements suggest that a chirality-dependent energy transfer process may be involved in the observed phenomenon, which can be harnessed to extend the RTP application to the chiral recognition of amino compounds, such as amino alcohols.
Integrative omics identifies conserved and pathogen-specific responses of sepsis-causing bacteria
Authors: Mu Andre , Klare William P. , Baines Sarah L. , Ignatius Pang C. N. , Guérillot Romain , Harbison-Price Nichaela , Keller Nadia , Wilksch Jonathan , Nhu Nguyen Thi Khanh , Phan Minh-Duy , Keller Bernhard , Nijagal Brunda , Tull Dedreia , Dayalan Saravanan , Chua Hwa Huat Charlie , Skoneczny Dominik , Koval Jason , Hachani Abderrahman , Shah Anup D. , Neha Nitika , Jadhav Snehal , Partridge Sally R. , Cork Amanda J. , Peters Kate , Bertolla Olivia , Brouwer Stephan , Hancock Steven J. , Álvarez-Fraga Laura , De Oliveira David M. P. , Forde Brian , Dale Ashleigh , Mujchariyakul Warasinee , Walsh Calum J. , Monk Ian , Fitzgerald Anna , Lum Mabel , Correa-Ospina Carolina , Roy Chowdhury Piklu , Parton Robert G. , De Voss James , Beckett James , Monty Francois , McKinnon Jessica , Song Xiaomin , Stephen John R. , Everest Marie , Bellgard Matt I. , Tinning Matthew , Leeming Michael , Hocking Dianna , Jebeli Leila , Wang Nancy , Ben Zakour Nouri , Yasar Serhat A. , Vecchiarelli Stefano , Russell Tonia , Zaw Thiri , Chen Tyrone , Teng Don , Kassir Zena , Lithgow Trevor , Jenney Adam , Cole Jason N. , Nizet Victor , Sorrell Tania C. , Peleg Anton Y. , Paterson David L. , Beatson Scott A. , Wu Jemma , Molloy Mark P. , Syme Anna E. , Goode Robert J. A. , Hunter Adam A. , Bowland Grahame , West Nicholas P. , Wilkins Marc R. , Djordjevic Steven P. , Davies Mark R. , Seemann Torsten , Howden Benjamin P. , Pascovici Dana , Tyagi Sonika , Schittenhelm Ralf B. , De Souza David P. , McConville Malcolm J. , Iredell Jonathan R. , Cordwell Stuart J. , Strugnell Richard A. , Stinear Timothy P. , Schembri Mark A. , Walker Mark J. 
Published: March 2023

AbstractEven in the setting of optimal resuscitation in high-income countries severe sepsis and septic shock have a mortality of 20–40%, with antibiotic resistance dramatically increasing this mortality risk. To develop a reference dataset enabling the identification of common bacterial targets for therapeutic intervention, we applied a standardized genomic, transcriptomic, proteomic and metabolomic technological framework to multiple clinical isolates of four sepsis-causing pathogens: Escherichia coli, Klebsiella pneumoniae species complex, Staphylococcus aureus and Streptococcus pyogenes. Exposure to human serum generated a sepsis molecular signature containing global increases in fatty acid and lipid biosynthesis and metabolism, consistent with cell envelope remodelling and nutrient adaptation for osmoprotection. In addition, acquisition of cholesterol was identified across the bacterial species. This detailed reference dataset has been established as an open resource to support discovery and translational research.
Strong synergy between gold nanoparticles and cobalt porphyrin induces highly efficient photocatalytic hydrogen evolution
Authors: Sheng Huixiang , Wang Jin , Huang Juhui , Li Zhuoyao , Ren Guozhang , Zhang Linrong , Yu Liuyingzi , Zhao Mengshuai , Li Xuehui , Li Gongqiang , Wang Ning , Shen Chen , Lu Gang 
Published: March 2023

AbstractThe reaction efficiency of reactants near plasmonic nanostructures can be enhanced significantly because of plasmonic effects. Herein, we propose that the catalytic activity of molecular catalysts near plasmonic nanostructures may also be enhanced dramatically. Based on this proposal, we develop a highly efficient and stable photocatalytic system for the hydrogen evolution reaction (HER) by compositing a molecular catalyst of cobalt porphyrin together with plasmonic gold nanoparticles, around which plasmonic effects of localized electromagnetic field, local heating, and enhanced hot carrier excitation exist. After optimization, the HER rate and turn-over frequency (TOF) reach 3.21 mol g−1 h−1 and 4650 h−1, respectively. In addition, the catalytic system remains stable after 45-hour catalytic cycles, and the system is catalytically stable after being illuminated for two weeks. The enhanced reaction efficiency is attributed to the excitation of localized surface plasmon resonance, particularly plasmon-generated hot carriers. These findings may pave a new and convenient way for developing plasmon-based photocatalysts with high efficiency and stability.
Evaluating explainability for graph neural networks
Authors: Agarwal Chirag , Queen Owen , Lakkaraju Himabindu , Zitnik Marinka 
Published: March 2023

AbstractAs explanations are increasingly used to understand the behavior of graph neural networks (GNNs), evaluating the quality and reliability of GNN explanations is crucial. However, assessing the quality of GNN explanations is challenging as existing graph datasets have no or unreliable ground-truth explanations. Here, we introduce a synthetic graph data generator,ShapeGGen, which can generate a variety of benchmark datasets (e.g., varying graph sizes, degree distributions, homophilic vs. heterophilic graphs) accompanied by ground-truth explanations. The flexibility to generate diverse synthetic datasets and corresponding ground-truth explanations allowsShapeGGento mimic the data in various real-world areas. We includeShapeGGenand several real-world graph datasets in a graph explainability library, GraphXAI. In addition to synthetic and real-world graph datasets with ground-truth explanations, GraphXAI provides data loaders, data processing functions, visualizers, GNN model implementations, and evaluation metrics to benchmark GNN explainability methods.
High-resolution livestock seasonal distribution data on the Qinghai-Tibet Plateau in 2020
Authors: Zhan Ning , Liu Weihang , Ye Tao , Li Hongda , Chen Shuo , Ma Heng 
Published: March 2023

AbstractIncorporating seasonality into livestock spatial distribution is of great significance for studying the complex system interaction between climate, vegetation, water, and herder activities, associated with livestock. The Qinghai-Tibet Plateau (QTP) has the world’s most elevated pastoral area and is a hot spot for global environmental change. This study provides the spatial distribution of cattle, sheep, and livestock grazing on the warm-season and cold-season pastures at a 15 arc-second spatial resolution on the QTP. Warm/cold-season pastures were delineated by identifying the key elements that affect the seasonal distribution of grazing and combining the random forest classification model, and the average area under the receiver operating characteristic curve of the model is 0.98. Spatial disaggregation weights were derived using the prediction from a random forest model that linked county-level census livestock numbers to topography, climate, vegetation, and socioeconomic predictors. The coefficients of determination of external cross-scale validations between dasymetric mapping results and township census data range from 0.52 to 0.70. The data could provide important information for further modeling of human-environment interaction under climate change for this region.
Using disproportionality analysis to explore the association between periostitis and triazole antifungals in the FDA Adverse Event Reporting System Database
Authors: Li Hailong , Zhang Miao , Jiao Xuefeng , Zhu Yu , Liu Yan , Zeng Linan , Wang Huiqing , Zhang Lei , Zhang Wei , Zhang Lingli 
Published: March 2023

AbstractThough triazole antifungals are the first choice for preventing and treating invasive fungal infections, periostitis caused by voriconazole has been described in emerging case reports; however, no studies exist on this association in real-world clinical settings. Our study aimed to identify the association between periostitis and triazole antifungals by analyzing data from the FDA Adverse Event Reporting System (FAERS). We extracted and analyzed reports on the association between periostitis and triazole antifungals in FAERS from the first quarter of 2004 to the second quarter of 2022 using OpenVigil 2.1. Disproportionality analysis was performed to evaluate the association between periostitis and triazole antifungals, and chi-squared (χ2), relative reporting ratio (RRR), reporting odds ratio (ROR), proportional reporting ratio (PRR), and Bayesian confidence propagation neural networks (BCPNN) of information components (IC) were reported. In total, 143 patients experienced periostitis while using voriconazole. Disproportionality analysis identified an association between periostitis and voriconazole (χ2 = 82,689.0, RRR = 583.6, 95%CI [472.4, 721.1], PRR = 1808.9, 95%CI [1356.0, 2412.9], ROR = 1831.7, 95%CI [1371.6, 2446.3], IC = 9.2, 95%CI [8.6, 9.8]). However, no safety signals were observed between periostitis and other triazole antifungals. When stratified by sex and age, disproportionality analysis identified positive signals between periostitis and voriconazole. The possible association between periostitis and voriconazole should attract sufficient attention in clinical practice. Alternative treatment with other triazole antifungals can be considered, and causality needs to be verified in further prospective studies.
Interspecific hybridization for transfer of hull-less seed trait from Cucurbita pepo to C. moschata
Authors: Kaur Barinder , Garcha Karmvir Singh , Sandhu Jagdeep Singh , Sharma Madhu , Dhatt Ajmer Singh 
Published: March 2023

AbstractHull-less seed trait is preferred by nut and oil industries worldwide for snacking and oil extraction as it evades the expensive decorticating (dehulling) process. This seed trait is available in C. pepo only, which has small seed cavity, sensitive to various biotic and abiotic stresses, and restricted to temperate regions for cultivation. Contrarily, the related species C. moschata has wider adaptability, disease tolerance and high seed yield. Therefore, attempt was made to transfer this trait into C. moschata through conventional pollination and ovule culture using four parents of hull-less C. pepo and six of hulled C. moschata. Through conventional approach, few viable F1 seeds (12–23) were obtained by using C. pepo as female parent, but in three crosses (HLP36 × HM1343, HLP36 × HM1022 and HLP44 × HM1022) only, whereas, its use as male parent was not successful. This incompatibility issue of reciprocals was resolved through ovule culture of C. moschata genotypes HM1343 and HM6711 after 17 to 19 days of pollination with C. pepo genotypes HLP53 and HLP72, respectively. The hybridity of interspecific crosses was confirmed through SSR markers (alleles inherited from both the parents), morphological characters and micromorphological leaf traits (differed from both the parents). The successful transfer through interspecific hybridization was further established with the presence of hull-less seed in fruits of F2 populations. Outcome of this study would pave the way for enhancing the productivity and multi-season cultivation of snack-seeded pumpkin even in subtropical and tropical regions.
The use of benzodiazepines and the mental health of women in prison: a cross-sectional study
Authors: Miranda Seixas Einloft Fernanda , Kopittke Luciane , Thais Guterres Dias Míriam , Luana Veriato Schultz Águida , Maria Dotta Renata , Maria Tannhauser Barros Helena 
Published: March 2023

AbstractIn this article we assessed the prevalence of benzodiazepine (BZD) use in women before and during imprisonment, as well as its related factors and association with symptoms of anxiety, depression, and posttraumatic stress disorder in a quantitative, cross-sectional, analytical study of regional scope. Two female prisons in the Brazilian Prison System were included. Seventy-four women participated by completing questionnaires about their sociodemographic data, BZD use and use of other substances. These questionnaires included the Generalized Anxiety Disorder-7 (GAD-7), Patient Health Questionnaire-9 (PHQ-9), and Posttraumatic Stress Disorder Checklist–Civilian Version (PCL-C). Of the 46 women who reported no BZDs use before arrest, 29 (63%) began using BZDs during imprisonment (p < 0.001). Positive scores for PTSD, anxiety, and depression, as well as associations between BZD use during imprisonment and anxiety (p = 0.028), depression (p = 0.001) and comorbid anxiety and depression (p = 0.003) were found when a bivariate Poisson regression was performed. When a multivariate Poisson regression was performed for tobacco use, the PHQ-9 and GAD-7 scales, BZD use was associated with depression (p = p = 0.008), with tobacco use (p = 0.012), but not with anxiety (p = 0.325). Imprisonment increases the psychological suffering of women, consequently increasing BZD use. Nonpharmacological measures need to be considered in the health care of incarcerated women.
In-field assessment of change-of-direction ability with a single wearable sensor
Authors: Apte Salil , Karami Hojjat , Vallat Célestin , Gremeaux Vincent , Aminian Kamiar 
Published: March 2023

AbstractThe Agility T-test is a standardized method to measure the change-of-direction (COD) ability of athletes in the field. It is traditionally scored based on the total completion time, which does not provide information on the different CODs. Augmenting the T-test with wearable sensors provides the opportunity to explore new metrics. Towards this, data of 23 professional soccer players were recorded with a trunk-worn GNSS-IMU (Global Navigation Satellite System-Inertial Measurement Unit) device. A method for detecting the four CODs based on the wavelet-denoised antero-posterior acceleration signal was developed and validated using video data (60 Hz). Following this, completion time was estimated using GNSS ground speed and validated with the photocell data. The proposed method yields an error (mean ± standard deviation) of 0 ± 66 ms for the COD detection, − 0.16 ± 0.22 s for completion time, and a relative error for each COD duration and each sequential movement durations of less than 3.5 ± 16% and 7 ± 7%, respectively. The presented algorithm can highlight the asymmetric performance between the phases and CODs in the right and left direction. By providing a more comprehensive analysis in the field, this work can enable coaches to develop more personalized training and rehabilitation programs.
Synthesis and characterization of Gd3+-loaded hyaluronic acid-polydopamine nanoparticles as a dual contrast agent for CT and MRI scans
Authors: Shariati Alireza , Ebrahimi Tahereh , Babadinia Parva , Shariati Fatemeh Sadat , Ahangari Cohan Reza 
Published: March 2023

AbstractMagnetic resonance imaging and computed tomography (CT) suffer from low contrast sensitivity and potential toxicity of contrast agents. To overcome these limitations, we developed and tested a new class of dual contrast agents based on polydopamine nanoparticles (PDA-NPs) that are functionalized and targeted with hyaluronic acid (HA). These nanoparticles (NPs) are chelated with Gd3+ to provide suitable contrast. The targeted NPs were characterized through ultraviolet–visible spectroscopy (UV–vis), scanning electron microscopy (SEM), infrared Fourier transform (FTIR), and dynamic light scattering (DLS). The cytotoxicity was investigated on HEK293 cells using an MTT assay. The contrast property of synthesized Gd3+/PDA/HA was compared with Barium sulfate and Dotarem, as commercial contrast agents (CAs) for CT and MRI, respectively. The results illustrated that synthesized PDA-NPs have a spherical morphology and an average diameter of 72 nm. A distinct absorption peak around 280 nm in the UV–vis spectrum reported the self-polymerization of PDA-NPs. The HA coating on PDA-NPs was revealed through a shift in the FTIR peak of C=O from 1618 cm−1 to 1635 cm−1. The Gd3+ adsorption on PDA/HA-NPs was confirmed using an adsorption isotherm assay. The developed CA showed low in vitro toxicity (up to 158.98 µM), and created a similar contrast in MRI and CT when compared to the commercial agents. The r1 value for PDA/HA/Gd3+ (6.5 (mg/ml)−1 s−1) was more than Dotarem (5.6 (mg/ml)−1 s−1) and the results of the hemolysis test showed that at concentrations of 2, 4, 6, and 10 mg/ml, the hemolysis rate of red blood cells is very low. Additionally, the results demonstrated that PDA/HA/Gd3+ could better target the CD44+-expressing cancer cells than PDA/Gd3+. Thus, it can be concluded that lower doses of developed CA are needed to achieve similar contrast of Dotarem, and the developed CA has no safety concerns in terms of hemolysis. The stability of PDA/HA/Gd3+ has also been evaluated by ICP-OES, zeta potential, and DLS during 3 days, and the results suggested that Gd-HA NPs were stable.
Impact of the COVID-19 pandemic on levels of deep-ocean acoustic noise
Authors: Robinson Stephen , Harris Peter , Cheong Sei-Him , Wang Lian , Livina Valerie , Haralabus Georgios , Zampolli Mario , Nielsen Peter 
Published: March 2023

AbstractThe extraordinary circumstances of the COVID-19 pandemic led to measures to mitigate the spread of the disease, with lockdowns and mobility restrictions at national and international levels. These measures led to sudden and sometimes dramatic reductions in human activity, including significant reductions in ship traffic in the maritime sector. We report on a reduction of deep-ocean acoustic noise in three ocean basins in 2020, based on data acquired by hydroacoustic stations in the International Monitoring System of the Comprehensive Nuclear-Test-Ban Treaty. The noise levels measured in 2020 are compared with predicted levels obtained from modelling data from previous years using Gaussian Process regression. Comparison of the predictions with measured data for 2020 shows reductions of between 1 and 3 dB in the frequency range from 10 to 100 Hz for all but one of the stations.