bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomically Thin Quantum Spin Hall Insulators
Authors: Lodge Michael S. , Yang Shengyuan A. , Mukherjee Shantanu , Weber Bent 
Published: April 2021

AbstractAtomically thin topological materials are attracting growing attention for their potential to radically transform classical and quantum electronic device concepts. Among them is the quantum spin Hall (QSH) insulator—a 2D state of matter that arises from interplay of topological band inversion and strong spin–orbit coupling, with large tunable bulk bandgaps up to 800 meV and gapless, 1D edge states. Reviewing recent advances in materials science and engineering alongside theoretical description, the QSH materials library is surveyed with focus on the prospects for QSH‐based device applications. In particular, theoretical predictions of nontrivial superconducting pairing in the QSH state toward Majorana‐based topological quantum computing are discussed, which are the next frontier in QSH materials research.
Bottom‐Up Quasi‐Epitaxial Growth of Hybrid Perovskite from Solution Process—Achieving High‐Efficiency Solar Cells via Template​‐Guided Crystallization
Authors: Zhang Hengkai , Qin Minchao , Chen Zhiliang , Yu Wei , Ren Zhiwei , Liu Kuan , Huang Jiaming , Zhang Yaokang , Liang Qiong , Chandran Hrisheekesh Thachoth , Fong Patrick W. K. , Zheng Zijian , Lu Xinhui , Li Gang 
Published: April 2021

AbstractEpitaxial growth gives the highest‐quality crystalline semiconductor thin films for optoelectronic devices. Here, a universal solution‐processed bottom‐up quasi‐epitaxial growth of highly oriented α‐formamidinium lead triiodide (α‐FAPbI3) perovskite film via a two‐step method is reported, in which the crystal orientation of α‐FAPbI3 film is precisely controlled through the synergetic effect of methylammonium chloride and the large‐organic cation butylammonium bromide. In situ GIWAXS visualizes the BA‐related intermediate phase formation at the bottom of film, which serves as a guiding template for the bottom‐up quasi‐epitaxial growth in the subsequent annealing process. The template‐guided epitaxially grown BAFAMA perovskite film exhibits increased crystallinity, preferred crystallographic orientation, and reduced defects. Moreover, the BAFAMA perovskite solar cells demonstrate decent stability, maintaining 95% of their initial power conversion efficiency after 2600 h ambient storage, and 4‐time operation condition lifetime enhancement.
Constructing a Highly Efficient Aligned Conductive Network to Facilitate Depolarized High‐Areal‐Capacity Electrodes in Li‐Ion Batteries
Authors: Yang Kai , Yang Luyi , Wang Zijian , Guo Bin , Song Zhibo , Fu Yanda , Ji Yuchen , Liu Mingqiang , Zhao Wenguang , Liu Xinhua , Yang Shichun , Pan Feng 
Published: April 2021

AbstractIn order to prepare electrodes with high mass loading and areal capacities, the key issue is to achieve depolarization for both ion and electron transfer on the electrode material surface. In this work, through copolymerization of xanthan gum (XG) and amorphophallus konjac gum (KG) followed by an ice‐templating method, aligned electrodes with high areal mass loading of active materials are prepared. In addition to firmly holding active materials together, the prepared KG–XG copolymer also facilitates improved effective porosity as well as homogeneous dispersion of conductive agents (i.e., CNTs). Consequently, with minimum inactive components (i.e., binder and conductive agents), the proposed electrode structure delivers good cycling stability and rate capability under high areal loading (as high as 200 mg cm−2). The excellent electrochemical performance can be attributed to the unique aligned structure where the robust conductive network provides an efficient electron and lithium‐ion pathway, and the homogenous porosity is beneficial for the electrolyte percolation, hence the reduced polarization during charge transfer. In addition, this electrode preparation method is found to be universal as it is suitable for various types of anode and cathode materials.
Improved detection sensitivity using an optimal eDNA preservation and extraction workflow and its application to threatened sawfishes
Authors: Cooper Madalyn K. , Huerlimann Roger , Edmunds Richard C. , Budd Alyssa M. , Le Port Agnès , Kyne Peter M. , Jerry Dean R. , Simpfendorfer Colin A. 
Published: April 2021

Abstract

Pressures on coastal ecosystems are increasing and aquatic species that are restricted to these habitats are facing the threat of extinction. However, the true extent of many threatened and rare aquatic species, especially elasmobranchs, remains unclear due to high levels of data deficiency and poor efficacy of traditional survey methods. Sawfishes (Pristidae), a family of shark‐like rays, are among the most threatened and rare elasmobranch species and are difficult to detect in turbid, coastal habitats. Reliable cost‐effective tools to detect these species are urgently needed to increase their conservation potential.
Characterization of environmental DNA (eDNA) extracted from water samples has garnered significant appeal for detection of rare and threatened species. To assist conservation and monitoring efforts for sawfishes using eDNA, species‐specific TaqMan quantitative polymerase chain reaction assays were developed and validated to detect 1.25–5 copies of a 12S rRNA gene fragment. Filter samples were collected in Northern Territory, Australia to assess the utility of the developed eDNA assays and compare the efficacy of preservation and extraction workflows for detecting rare species.
Dwarf sawfish (Pristis clavata) were detected in three of 20 sites, and there was a significant effect of preservation and extraction workflow on total eDNA yield and subsequent detection success. Longmire's preserved samples extracted using glycogen‐aided precipitation yielded a significantly higher concentration of total eDNA (n = 60; β = 1.27, t(95) = 8.172, P < 0.0001) and yielded positive P. clavata eDNA detections compared to ethanol preserved samples extracted using QIAGEN DNeasy kit, which did not yield any positive detections.
The optimized eDNA assays were developed to support monitoring efforts for endangered sawfishes. Importantly, this study demonstrates that choice of preservation and extraction workflow requires careful consideration, especially when detection of rare or threatened species can have important management and conservation outcomes.
Osteology ofUnenlagia comahuensis(Theropoda, Paraves, Unenlagiidae) from the Late Cretaceous of Patagonia
Authors: Novas Fernando E. , Agnolín Federico L. , Motta Matias J. , Brissón Egli Federico 
Published: April 2021

AbstractUnenlagia comahuensiswas originally described as a phylogenetic link between nonavian dinosaurs and birds. Later it was interpreted by some authors as belonging to the deinonychosaurian clade Dromaeosauridae, and more recently as phylogenetically closer to birds than to dromaeosaurids. The only known specimen is represented by an incomplete skeleton, including vertebrae, incomplete scapular girdle, pelvis, and limbs, coming from Upper Cretaceous beds of Neuquén province, Patagonia, Argentina. The aim of the present paper is to include a detailed anatomical description ofUnenlagia(currently only known by preliminary descriptions). Detailed analysis ofUnenlagiaanatomy resulted in the recognition of one possible additional Unenlagiidae synapomorphy (i.e., the presence of cup‐like iliac articulation on ischium). We recognize derived anatomical traits thatUnenlagiaand kin share with birds, lending support to the interpretation that unenlagiids are stem‐Avialae. Particularly, some appendicular features (e.g., scapula with subtriangular and relatively reduced acromion, poor outward projection of the glenoid and glenoidal lips on the scapula, lateral orientation of scapular glenoid, craniolaterally oriented deltopectoral crest of humerus) may be related to the acquisition of anatomical novelties that in birds are associated with flight. The present contribution onUnenlagiaprovides new data regarding the early evolution of avian features.
Comparison of the influence of massive open online courses and traditional teaching methods in medical education in China: A meta‐analysis
Authors: Gao Junwei , Yang Ling , Zou Jiao , Fan Xiaotang 
Published: April 2021

AbstractIn the past 5 years, the MOOC‐based teaching method has been extensively applied as an experimental educational method in medical education in China. However, the effects of this teaching method on medical education are still controversial and ambiguous. To assess the effectiveness of the MOOC‐based teaching method in medical education in China, we conducted the meta‐analysis. Literature search was performed through the PubMed, Embase, Web of Knowledge and CNKI databases through March 3, 2020. Studies evaluating the effectiveness of the MOOC‐based teaching method in medical education in China were included in our meta‐analysis. All data were pooled using a fixed‐ or random‐effect model based on a heterogeneity test. Hedges' g was calculated to evaluate the effectiveness of the MOOC‐based teaching method on the final exam knowledge scores of participants. Subgroup analyses were also carried out. There were 27 studies (25 records) identified in our meta‐analysis. The final exam knowledge scores of participants were statistically higher in the MOOC group compared with the controls in medical courses in China (Hedges' g = 1.080, 95%CI 0.592–1.567, p < 0.001). Obvious heterogeneity across studies was found in the study. Further analysis demonstrated that a significant difference in favor of the MOOC‐based teaching method compared with the traditional teaching method in medical students and doctors. The MOOC‐based teaching method may be applicable to medical education in China, strengthening the roles of MOOCs in medical education.
Determination and structural characterization of ravidasvir metabolites by LC coupled to triple quadrupole linear ion trap MS: Application to pharmacokinetics and phase I metabolism in rats
Authors: Kaddah Mohamed Mohamed Yousri , Talaat Wael , El Demellawy Maha A. 
Published: April 2021

AbstractHepatitis C virus (HCV) is an infectious disease that has become a global clinical issue because of its significant morbidity and mortality. Novel anti‐hepatitis C drugs are continuously developed to decrease the pervasiveness of the infection globally. A synthetic ravidasvir, benzimidazole‐naphthylene‐imidazole derivatives, has been used as an anti‐HCV drug. This study determined the metabolites of ravidasvir and its pharmacokinetics in rats using information‐dependent acquisition and multiple reaction monitoring scanning modes in linear ion trap LC–MS/MS instrument, respectively. Two time‐programming linear‐gradient chromatographic methods were employed using a Kinetex C18 column (50 × 3 mm, 2.6 μm) and a Luna HILIC column (100 × 4.6 mm, 3 μm) for the qualitative and quantitative determination of ravidasvir and its metabolites, respectively. In silico prediction where sites in a molecule are susceptible to metabolism by cytochrome P450 was implemented, which helped in proposing the metabolic pathway of ravidasvir. The most dominant metabolite in rat liver microsomal samples was oxidative ravidasvir, where one O‐demethylated metabolite and eight isomers of the oxidative ravidasvir metabolites were identified. The study provides essential data for proposing the metabolic pathway and successfully applied it to determine the pharmacokinetics of ravidasvir in rat plasma.
A new simple method for quantification of cilostazol and its active metabolite in human plasma by LC–MS/MS: Application to pharmacokinetics of cilostazol associated with CYP genotypes in healthy Chinese population
Authors: Shen Yuting , Jiang Bo , Hu Xinhua , Chen Jinliang , Xu Yichao , Ruan Zourong , Yang Dandan , Lou Honggang 
Published: April 2021

AbstractA simple, sensitive, and fully automated liquid chromatography–tandem mass spectrometry (LC–MS/MS) method was developed and validated for the simultaneous quantification of cilostazol (CIL) and its active metabolite, 3,4‐dehydro cilostazol (CIL‐M), in human plasma. Plasma samples were processed by protein precipitation in 2 mL 96‐deep‐well plates, and all liquid transfer steps were performed through robotic liquid handling workstation, enabling the whole procedure fast, compared to the reported methods. Separation of analytes was successfully achieved on a UPLC BEH C18 column (2.1 × 100 mm, 1.7 μm) with mobile phase A (5 mM ammonium formate containing 0.1% formic acid) and mobile phase B (methanol) at a flow rate of 0.30 mL min−1. The total run time was 3.5 min per sample. Mass spectrometric detection was conducted by electrospray ion source in positive ion multiple reaction monitoring mode. Calibration curves were linear over the concentration range of 1.0–800 ng·mL−1 for CIL and 0.05–400 ng·mL−1 for CIL‐M. The coefficient of variation for the assay’s precision was 12.3%, and the accuracy was 88.8–99.8%. It was fully validated and successfully applied to assess the influence of CYP genotypes on the pharmacokinetics of CIL after oral administration of 50 mg tablet formulations of CIL to healthy Chinese volunteers. The results suggest that, in Chinese population, the genotype of CYP3A5 affects the plasma exposure of CIL.
Structural Characterization of an Alkali‐Soluble Polysaccharide from Angelica sinensis and Its Antitumor Activity in Vivo
Authors: Zhao Yan , Feng Yingying , Jing Xue , Liu Yining , Liu Anjun 
Published: April 2021

AbstractA novel alkali‐soluble polysaccharide (AASP) was isolated from Angelica sinensis (Oliv.) Diels under aqueous alkali treatment, and its structural characterization and antitumor activity in Vivo were evaluated in present study. Results of HPGPC and IC revealed that AASP was a neutral polysaccharide containing Ara, Gal and Glc in the mole ratio of 1.00 : 2.26 : 24.43, with the average molecular weight of 4.7 kDa. Periodate oxidation, Smith degradation, methylation, FT‐IR, and NMR analyses further demonstrated that a preliminary structure of AASP was proposed as follows: (1→3)‐linked arabinose, (1→6)‐linked galactose, and (1→), (1→4), (1→6), (1→3,6)‐linked glucose with α‐ and β‐configuration. In Vivo antitumor assays, AASP exhibited prominent antitumor effects on H22 hepatoma cells with an inhibitory ratio of 48.57 % and effectively protected thymuses and spleens of tumor‐bearing mice. Besides, AASP displayed a proliferation stimulating activity of immunocytes (splenocytes, peritoneal macrophages and natural killer cells), and an auxo‐action for cytokines release (TNF‐α, IL‐2 and IFN‐γ), leading to the apoptosis of H22 solid tumors cells via G0/G1 phase arrested. The above data demonstrated that AASP holds great application potential to be a safe and effective antitumor supplement in the future.
Performance optimization of an industrial natural gas dehydration process to reduce energy consumption and greenhouse gases (GHGs) emission
Authors: Anisi Hossein , Shahhosseini Shahrokh , Fallah Abbas 
Published: April 2021

AbstractNatural gas dehydration using multi‐layer adsorption beds is one of the most essential processes in gas processing plants, where the water molecule is removed from raw gas by a continuous cyclic temperature swing adsorption operation. In the present research, a commercial adsorption unit for dehydration of natural gas has been studied, and the effects of the volume of adsorbents in the multi‐layer adsorption beds on the overall performance of the process have been investigated using a precise mathematical model. The numerical method of lines (NMOL) has been applied to solve the partial differential equations (PDEs) demonstrating the fixed bed. The real plant data from the industrial unit have been used for validation of the model. The simulated breakthrough time, bed pressure drop, and dried gas temperature are found to be in good agreement with experimental measurements with an error of less than 4%. The modelling results are applied to obtain the optimum adsorbents layers' configuration using response surface methodology (RSM). The objective functions are pressure drop and water breakthrough time, while variables are the length of two molecular sieve layers with different particle sizes, which are loaded in each adsorption column. The results indicated that an 18.45% reduction in the direct and indirect greenhouse gases (GHGs) emission (35 369.59 MT/year) during the regeneration cycle and a significant decrease in energy consumption (623 609 GJ/year) can be achieved by applying the optimal configuration. Moreover, 1 year of longer continuous operation (by avoiding nearly 45 regenerations) is another desirable outcome of the optimization.
Determination of species of some wood veneers using machine vision
Authors: Sözen Eser , Bardak Timuçin 
Published: April 2021

AbstractThe veneer industry is widely used in many countries of the world. Properties such as obtaining curved surfaces, concealing defects, usability in different designs, and patterns can be counted as the main advantages of veneers compared to solid wood. Although advanced production and quality control systems have developed in coating production, the number of countries where traditional production methods are used is quite high. The biggest problem in transition to advanced systems is investment costs. Therefore, companies allocate low budgets for growth. This study carried out machine vision estimation of different types of veneers obtained by the quarter‐cutting and rotary methods. Fifteen different veneers samples were used in the study. Over 923 features were extracted from 75 veneer images to determine the selected features. Artificial neural network and decision tree techniques were used as decision‐making algorithms. It was determined that the artificial neural network made predictions with higher accuracy in estimating the veneer type. Rays, annual rings, and light‐dark color contrast were among the parameters effective in machine vision prediction. The importance of data is increasing in businesses that are undergoing digital transformation and automation. Today, data are expressed not only in numbers or texts, but also in features extracted from images. With this study, numerical features were extracted from the veneer images and species predictions were made. It was determined that among the algorithms used, the artificial neural network yielded more accurate results than the decision tree technique.
Enabling simulation of high‐dimensional micro‐macro biophysical models through hybrid CPU and multi‐GPU parallelism
Authors: Cook Steven , Shinar Tamar 
Published: April 2021

AbstractMicro‐macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling requires tracking and evolving a potentially high‐dimensional configuration space at high computational cost. In this work, we present a novel parallel algorithm for simulating a high‐dimensional micro‐macro model of a gliding motility assay. We utilize a holistic approach aligning the data residency and simulation scales with the hybrid CPU and multi‐GPU hardware. Our novel approach achieves a speedup factor of 9.25× over previous GPU‐accelerated micro‐macro methods on the same hardware. Furthermore, by decoupling dependencies in the microstructure update, we are able to efficiently distribute the microstructure over multiple GPUs with minimal overhead. We test on up to four GPUs and observe excellent scaling, suggesting that significant further speedups are achievable with additional GPUs. Our approach enables micro‐macro simulations of higher complexity and resolution than would otherwise be feasible.
Polynomial algorithms for computing the isolated toughness of interval and split graphs
Authors: Li Fengwei , Ye Qingfang , Broersma Hajo , Zhang Xiaoyan 
Published: April 2021

AbstractThe isolated toughness of a noncomplete graph G is defined as: , where C(G) is the collection of all vertex cutsets of G and i(G − Y) stands for the number of isolated vertices in G − Y. If G is a complete graph, we set . This isolated toughness parameter is closely related to the existence of factors and fractional factors in graphs. These factors and fractional factors are well‐studied within graph theory, and have various applications in several fields related to computer science. In this article, we pay our attention to the computational complexity of computing the isolated toughness. We present polynomial algorithms for computing the exact value of for interval graphs and for split graphs, two well‐studied special graph classes.
Arylethynyl Helices Supported by π‐Stacking and Halogen Bonding
Authors: Bowling Nathan P. , Speetzen Erin D. , Bosch Eric 
Published: April 2021

AbstractCo‐crystallization of a pyridyl‐containing arylethynyl (AE) moiety with 1,4‐diiodotetrafluorobenzene leads to unique, figure‐eight shaped helical motifs within the crystal lattice. A slight twist in the AE backbone allows each AE unit to simultaneously interact with haloarene units that are stacked on top of one another. Left‐handed (M) and right‐handed (P) helices are interspersed in a regular pattern throughout the crystal. The major driving forces for assembly are 1) halogen bonding between the pyridyl nitrogen atoms and the iodine substituents of the haloarene, with N⋅⋅⋅I distances between 2.81 and 2.84 Å, and 2) π‐π stacking of the haloarenes, with distances of approximately 3.57 Å between centroids. Halogen bonding and π‐π stacking not only work in concert, but also seem to mutually enhance one another. Calculations suggest that the presence of π‐π stacking modestly intensifies the halogen bonding interaction by <0.2 kcal/mol; likewise, halogen bonding to the haloarene enhances the π‐π stacking interaction by 0.59 kcal/mol.
If they don't care, I won't share: Feeling unrelated to one's in‐group increases selfishness instead of behavior for the greater good
Authors: Klein Sina A. , Rudert Selma C. 
Published: April 2021

AbstractIndividuals cooperate more with others to whom they feel connected. As a consequence, reduced belonging to an in‐group decreases cooperation with this group, but not with others. Sometimes, however, there may be no new group available to (re)affiliate with. In this case, reduced belonging may either increase cooperation on a higher level, such as with the superordinate group humanity, or increase selfishness. We investigate this in an online experiment and a survey study. Study 1 (N = 299) showed that being ostracized in Cyberball reduced cooperation with the ostracizers and increased selfish behavior, while cooperation with humanity did not increase. Similarly, Study 2 (N = 1300) showed that lower feelings of belonging were associated with more selfishness, as fewer participants decided to donate to a humanitarian cause. These findings highlight the importance of inclusion and integration for societies and communities who wish to maintain a high level of cooperation.