bluuebunny/crossref_metadata_2025_split huggingface dataset:
Defects Enhance the Electrocatalytic Hydrogen Evolution Properties of MoS2‐based Materials
Authors: Cheng Yaojia , Song Haoqiang , Wu Han , Zhang Panke , Tang Zhiyong , Lu Siyu 
Published: August 2020

AbstractMoS2 have recently emerged as alternatives to noble metals as electrocatalysts for the hydrogen evolution reaction (HER) owing to their abundance and low cost. Considering the shortcomings of MoS2, including insufficient active sites, inert basal plane, and poor conductivity, the electrocatalytic hydrogen evolution properties of MoS2 can be improved in three ways: activating the inert basal plane to improve intrinsic activity, increasing active edge sites, and improving the conductivity. Defects can adjust the surface electronic structure of the crystal to bring the hydrogen adsorption free energy closer to zero. Therefore, current research has mainly used S‐vacancies to activate the inert basal surface of MoS2; used edge defects to increase the number of active sites; and used defective conductive carbon supports to improve the conductivity of MoS2‐based catalysts. This review introduces researches on improving the performance of MoS2 for HER by considering the purpose, characterization, and preparation of defects.
Verstärken von Stahlbetontragwerken mit Temperaturinduktion
Authors: Löschmann Jens , Clauß Felix , Mark Peter 
Published: August 2020

AbstractNachträgliche Verstärkungen wirken nicht für Eigengewichte. Ohne ein Anheben oder Vorspannen bleiben durch sie erzeugte Spannungen im Bestand eingeprägt und lagern sich erst bei erheblicher Rissbildung auf die Verstärkung um. Zur Lösung wird hier eine Temperierung von außen vorgeschlagen (Temperaturinduktion). Sie ist nutzbar für statisch unbestimmte Tragwerke und dient der Verstärkung der Biegetragfähigkeit mit nachträglich eingeschlitzter Bewehrung.Grundprinzip ist das planmäßige Einbringen von Temperaturgradienten. Damit lassen sich Schnittgrößen beliebig verändern. Die Eigengewichtsmomente werden derart mit induzierten Zwangsspannungen aus der Temperatur überlagert, dass die zu verstärkenden Bereiche entlastet sind. Es folgen Verstärkung und Rückgang der Temperierung. Die Verstärkung ist dann bereits für die Aufnahme des Eigengewichts wirksam. Die Methode wird an einem Zweifeldträger im Labor umgesetzt und für die Verstärkung der Stützbewehrung bei hohen bzw. geringen Eigenlasten demonstriert.
Metabolite profiling of arginase inhibitor activity guided fraction of Ficus religiosa leaves by LC–HRMS
Authors: Shaikh Ayesha , Tekale Satishkumar , Wagh Sandip , Padul Manohar 
Published: August 2020

AbstractCardiovascular disease is one of the major causes of deaths worldwide. Increased arginase activity is associated with cardiovascular disease. The literature shows that plants are a good source of arginase inhibitors. Hence in the present work arginase inhibitor activity is studied from Ficus religiosa leaves. A fine powder of F. religiosa leaves was serially extracted in various solvents, viz. hexane, chloroform, ethyl acetate and methanol. Out of those four solvent extracts, the one showing highest arginase inhibitor activity was loaded onto the column for further fractionation. Among the collected fractions, the one showing the highest activity was subjected to identification of metabolites by using LC–HRMS. Total compounds including acipimox, edoxudine, levulinic acid, hydroxyhydroquinone, ramiprilglucuronide, berberine, antimycin A, swietenine and some short peptides were identified from the fraction showing the highest arginase inhibitory activity. Identification of these metabolites from F. religiosa and their biological importance may help to promote its use as medicinal plant. Further purification and characterization of therapeutically novel molecules will be the subject of future work.
There is No test–retest reliability of brain activation induced by robotic passive hand movement: A functional NIRS study
Authors: Bae Sungjin , Lee Yonghee , Chang Pyung‐Hun 
Published: August 2020

AbstractIntroductionThe basic paradigm of rehabilitation is based on the brain plasticity, and for promoting it, test–retest reliability (TRR) of brain activation in which certain area of the brain is repeatedly activated is required. In this study, we investigated whether the robotic passive movement has the TRR of brain activation. While active training has been shown to have TRR, but there still have been arguments over the TRR by passive movement.MethodsIn order to test TRR, 10 repetitive sessions and various intervals (1 day, 3 days, 7 days, 23 days, 15 min, and 6 hr) were applied to five subjects, which had the same statistical power as applying two sessions to 50 subjects. In each session, three robot speeds (0.25, 0.5, and 0.75 Hz) were applied to provide passive movement using the robot. The fNIRS signal (oxy‐Hb) generated in the primary sensorimotor area (SM1) was measured on a total of 29 channels. At this time, we used activation maps and intraclass correlation coefficient (ICC) values to examine the TRR and the effect of robot speeds and intervals on TRR.ResultsAs a result, activation maps showed prominent variation regardless of robot speeds and interval, and the ICC value (=0.002) showed no TRR of brain activation for robotic passive movement.ConclusionThe brain activation induced by the robotic passive movement alone has very poor TRR, suggesting that further enhancement is required to strengthen the TRR by complementing active user engagements.
A multicentre cross‐sectional observational study of cancer multidisciplinary teams: Analysis of team decision making
Authors: Soukup Tayana , Lamb Benjamin W. , Morbi Abigail , Shah Nisha J. , Bali Anish , Asher Viren , Gandamihardja Tasha , Giordano Pasquale , Darzi Ara , SA Green James , Sevdalis Nick 
Published: August 2020

AbstractBackgroundMultidisciplinary teams (MDT) formulate expert informed treatment recommendations for people with cancer. We set out to examine how the factors proposed by the functional perspective of group decision making (DM), that is, interaction process, internal factors (factors emanating from within the group such as group size), external circumstances (factors coming from the outside of the team), and case‐complexity affect the quality of MDT decision making.MethodsThis was a cross‐sectional observational study. Three cancer MDTs were recruited with 44 members overall and 30 of their weekly meetings filmed. Validated observational instruments were used to measure quality of DM, interactions, and complexity of 822 case discussions.ResultsThe full regression model with the variables proposed by the functional perspective was significant, R2 = 0.52, F(20, 801) = 43.47, P < .001, adjusted R2 = 0.51. Positive predictors of DM quality were asking questions (P = .001), providing answers (P = .001), team size (P = .007), gender balance (P = .003), and clinical complexity (P = .001), while negative socioemotional reactions (P = .007), gender imbalance (P = .003), logistical issues (P = .001), time‐workload pressures (P = .002), and time spent in the meeting (P = .001) were negative predictors. Second half of the meetings also saw significant decrease in the DM quality (P = .001), interactions (P = .001), group size (P = .003), and clinical complexity (P = .001), and an increase in negative socioemotional reactions (P = .001) and time‐workload pressures (P = .001).DiscussionTo the best of our knowledge, this is the first study to attempt to assess the factors proposed by the functional perspective in cancer MDTs. One novel finding is the effect of sociocognitive factors on team DM quality, while another is the cognitive‐catch 22 effect: while the case discussions are significantly simpler in the second half of the meeting, there is significantly less time left to discuss the remaining cases, further adding to the cognitive taxation in teams who are now rapidly attempting to close their time‐workload gap. Implications are discussed in relation to quality and safety.
Long‐term trends in sex difference in bladder cancer survival 1975‐2009: A population‐based study in Osaka, Japan
Authors: Aoe Jo , Ito Yuri , Fukui Keisuke , Nakayama Masashi , Morishima Toshitaka , Miyashiro Isao , Sobue Tomotaka , Nakayama Tomio 
Published: August 2020

AbstractIn Japan, a study using population‐based cancer registry data from six prefectures revealed a difference in bladder cancer survival between men and women. However, the period of the study was limited to 1993‐2006. The recent introduction of immune checkpoint inhibitors, which have proved to be effective for the treatment for bladder cancer, has led to a rising demand for analysis of long‐term trends in net survival in order to accurately assess the effect of the new treatment. The aim of the present study was to examine long‐term trends in sex difference in bladder cancer net survival using large‐scale population‐based cancer registry data from Osaka, Japan (17,500 cases from 1975 to 2009). We also evaluated sex difference in bladder cancer survival after adjustment for stage, histologic type, and other prognostic factors. We showed the long‐term trend of five‐year net survival for each stage and found that women had poorer five‐year net survival than men for the whole study period. The risk of death from bladder cancer was higher among men than women even after adjusting for period at diagnosis, histologic type, stage, age group, and treatment (Excess hazard ratios: 1.17; 95% Confidence interval: 1.10‐1.25).
Prognostic value of MRI‐determined cervical lymph node size in nasopharyngeal carcinoma
Authors: Huang Cheng‐Long , Chen Yang , Guo Rui , Mao Yan‐Ping , Xu Cheng , Tian Li , Liu Li‐Zhi , Lin Ai‐Hua , Sun Ying , Ma Jun , Tang Ling‐long 
Published: August 2020

AbstractObjectivesTo investigate the prognostic value of magnetic resonance imaging (MRI)‐determined cervical lymph node (CLN) size in nasopharyngeal carcinoma (NPC).MethodsWe retrospectively reviewed 2066 patients with NPC treated with intensity‐modulated radiotherapy, and randomly divided them into two groups, in a 1:1 ratio. One group was used for training (the training group), and the other one was for internal validation (the validation group). All patients had undergone MRI examination and the maximal axial diameters (MAD) of the axial plane of all positive nodes had been measured and recorded.ResultsOf 683 patients with CLN metastases in the training group (n = 1033), MAD = 4 cm was associated with worse OS (64.7% vs 84.6%, P < .001), DFS (55.9% vs 76.3%, P = .001), and DMFS (67.6% vs 86.1%, P = .001). Multivariate analysis showed that MAD = 4 cm was a significant negative prognostic factor for OS (HR = 2.058; P = .025), DFS (HR = 1.727; P = .049), and DMFS (HR = 2.034; P = .036). When MRI‐determined MAD = 4 cm was classified as N3 in the N classification, the OS, DFS, DMFS, and RRFS survival curves were well separated. The OS, DFS, DMFS, and RRFS concordance indexes were not statistically different between the proposed N staging system and the UICC/AJCC staging system in the training group, or between the training group and the validation group (all P = .05).ConclusionMAD = 4 cm on axial MRI slices can be recommended as a prognostic factor in future versions of the UICC/AJCC NPC staging system.
Hybrid features for skeleton‐based action recognition based on network fusion
Authors: Chen Zhangmeng , Pan Junjun , Yang Xiaosong , Qin Hong 
Published: August 2020

AbstractIn recent years, the topic of skeleton‐based human action recognition has attracted significant attention from researchers and practitioners in graphics, vision, animation, and virtual environments. The most fundamental issue is how to learn an effective and accurate representation from spatiotemporal action sequences towards improved performance, and this article aims to address the aforementioned challenge. In particular, we design a novel method of hybrid features' extraction based on the construction of multistream networks and their organic fusion. First, we train a convolution neural networks (CNN) model to learn CNN‐based features with the raw skeleton coordinates and their temporal differences serving as input signals. The attention mechanism is injected into the CNN model to weigh more effective and important information. Then, we employ long short‐term memory (LSTM) to obtain long‐term temporal features from action sequences. Finally, we generate the hybrid features by fusing the CNN and LSTM networks, and we classify action types with the hybrid features. The extensive experiments are performed on several large‐scale publically available databases, and promising results demonstrate the efficacy and effectiveness of our proposed framework.
Phenols and γ‐Lactams from the Aerial Part of Pseudolysimachion linariifolium subsp. dilatatum
Authors: Xue Haibing , Liu Jingwen , Ma Ganghua , Zhou Xiaoyi , Sun Liqin , Shi Yingying , Zhu Weiliang , Chen Kaixian , Zhang Liuqiang , Li Yiming 
Published: August 2020

AbstractLinariifolioside II (1) and (2S)‐2‐hydroxy‐5‐oxoproline methyl ester (2), two new compounds along with 13 known compounds were obtained from the aerial part of Pseudolysimachion linariifolium Holub subsp. dilatatum (Nakai & Kitag.) D.Y. Hong. Their chemical structures were revealed mainly through NMR and MS data. The absolute configuration of 2 was deduced by comparing its experimental CD with the calculated ECD spectra. At a concentration of 1 mm, total antioxidant capacities of compounds 1–15 were measured using a rapid ABTS method in vitro. Compounds 1, 3–5, and 11–14 exhibited approximately equal antioxidant capacity to that of vitamin C (Vc).
Site‐Selective Peptide Macrocyclization
Authors: Wills Rachel , Adebomi Victor , Raj Monika 
Published: August 2020

AbstractCyclized peptides have seen a rise in popularity in the pharmaceutical industry as drug molecules. As such, new macrocyclization methodologies have become abundant in the last several decades. However, efficient methods of cyclization without the formation of side products remain a great challenge. Herein, we review cyclization approaches that focus on site‐selective chemistry. Site selectivity in macrocyclization decreases the generation of side products, leading to a greater yield of the desired peptide macrocycles. We will also take an in‐depth look at the new exclusively intramolecular N‐terminal site‐selective CyClick strategy for the synthesis of cyclic peptides. The CyClick method uses imine formation between an aldehyde and the N terminus. The imine is then trapped by a nucleophilic attack from the second amidic nitrogen in an irreversible site‐selective fashion.
Moving beyond the mechanistic structures: The role of inclusive leadership in developing change‐oriented organizational citizenship behaviour
Authors: Younas Amjad , Wang Daoping , Javed Basharat , Zaffar Muhammad Adeel 
Published: August 2020

AbstractIn this study, we explore the relationship between inclusive leadership and change‐oriented organizational citizenship behaviour (OCB) with the mediating roles of behavioural integrity and trust in leadership. Data were collected from 151 supervisor–subordinate dyads from small and medium enterprises in Pakistan. The results revealed that inclusive leadership is positively related to change‐oriented OCB. Our study reaffirms the indirect effect of the inclusive leadership on change‐oriented OCB via behavioural integrity and trust in leadership. Finally, the results supported the chain of causality: sequential mediation of behavioural integrity, and trust in leadership between inclusive leadership and change‐oriented OCB. Causal attribution theory is used to support the findings. Implications for theory and practice are discussed.
Whatsoever things are true: Hypothesis, artefact, and bias in chemical engineering research
Authors: Gray Murray R. 
Published: August 2020

AbstractFor experimental research to offer valuable insights and predictions, its results and interpretation need to be properly validated. When the experiments deal with complex systems, such as biological materials, multicomponent mixtures, or multiple phases, the use of the rigorous scientific method is essential. Setting and testing hypotheses and design of experimental programs to include formal positive and negative experiments helps to identify artefacts and to minimize the influence of the biases of the investigators that can invalidate the results of studies. The literature has many examples of well‐executed studies, but there is much less discussion of the pitfalls and traps that can beset experimental research. This paper presents cases in the area of chemical reaction engineering and biochemical engineering. Experimental designs are presented that were successful in validating results by using positive and negative controls. Case studies of experimental artefacts that were published suggest that the biases of the investigators were important in failing to fully verify experimental observations. Both strong experimental designs to identify artefacts and publication of negative results are important in avoiding the persistence of what Stephen Poole calls “zombie ideas”. These zombie ideas may be benign, or they may lead to considerable wasted effort on studies with no chance of success. Graphical representations and schematics are extremely valuable in communicating results and making them memorable, but they can also be seductive in misleading researchers.
Temperature Effects on the Fracture Dynamics and Elastic Properties of Popgraphene Membranes
Authors: Pereira Júnior Marcelo L. , Ribeiro Júnior Luiz A. , Brandão Wjefferson H. S. , Aguiar Acrisio L. , Galvão Douglas S. , de Sousa José M. 
Published: August 2020

AbstractPopgraphene (PopG) is a new 2D planar carbon allotrope which is composed of 5–8–5 carbon rings. PopG is intrinsically metallic and possesses excellent thermal and mechanical stability. In this work, we report a detailed study of the thermal effects on the mechanical properties of PopG membranes using fully‐atomistic reactive (ReaxFF) molecular dynamics simulations. Our results showed that PopG presents very distinct fracture mechanisms depending on the temperature and direction of the applied stretching. The main fracture dynamics trends are temperature independent and exhibit an abrupt rupture followed by fast crack propagation. The reason for this anisotropy is due to the fact that y‐direction stretching leads to a deformation in the shape of the rings that cause the breaking of bonds in the pentagon‐octagon and pentagon‐pentagon ring connections, which is not observed for the x‐direction. PopG is less stiff than graphene membranes, but the Young's modulus value is only 15 % smaller.
Buffer Influence on the Amino Acid Silica Interaction
Authors: Bag Saientan , Rauwolf Stefan , Suyetin Mikhail , Schwaminger Sebastian P. , Wenzel Wolfgang , Berensmeier Sonja 
Published: August 2020

AbstractProtein‐surface interactions are exploited in various processes in life sciences and biotechnology. Many of such processes are performed in presence of a buffer system, which is generally believed to have an influence on the protein‐surface interaction but is rarely investigated systematically. Combining experimental and theoretical methodologies, we herein demonstrate the strong influence of the buffer type on protein‐surface interactions. Using state of the art chromatographic experiments, we measure the interaction between individual amino acids and silica, as a reference to understand protein‐surface interactions. Among all the 20 proteinogenic amino acids studied, we found that arginine (R) and lysine (K) bind most strongly to silica, a finding validated by free energy calculations. We further measured the binding of R and K at different pH in presence of two different buffers, MOPS (3‐(N‐morpholino)propanesulfonic acid) and TRIS (tris(hydroxymethyl)aminomethane), and find dramatically different behavior. In presence of TRIS, the binding affinity of R/K increases with pH, whereas we observe an opposite trend for MOPS. These results can be understood using a multiscale modelling framework combining molecular dynamics simulation and Langmuir adsorption model. The modelling approach helps to optimize buffer conditions in various fields like biosensors, drug delivery or bio separation engineering prior to the experiment.
Mechanochemical Synthesis of Zero Dimensional Organic‐Inorganic Metal Halide Hybrids
Authors: Ben‐Akacha Azza , Zhou Chenkun , Chaaban Maya , Beery Drake , Lee Sujin , Worku Michael , Lin Xinsong , Westphal Riona , Ma Biwu 
Published: August 2020

AbstractMechanochemical synthesis has emerged as a facile method for the preparation of a wide range of organic, inorganic, and polymeric materials. Here, we report the use of mechanochemical synthesis for the preparation of ionically bonded organic metal halide hybrids with a zero‐dimensional (0D) structure at the molecular level. (Ph4P)2SbCl5 and (Ph4P)2MnCl4 were synthesized by grinding appropriate ratios of organic halide salt Ph4PCl with inorganic metal halide salts SbCl3 and MnCl2, respectively. The structural and photophysical properties of mechanochemically synthesized (Ph4P)2SbCl5 and (Ph4P)2MnCl4 were characterized, which are almost identical to those of single crystals prepared by slow solution growth. By reacting Ph4PCl with both SbCl3 and MnCl2, we have been able to produce a mixture of two 0D organic metal halide hybrids that exhibit a dual emission covering a wide range of the spectrum with Commission Internationale de l'Eclairage (CIE) coordinates of (0.4898, 0.4800). Our work has clearly established mechanochemical synthesis as an effective method to produce ionically bonded organic‐inorganic hybrids.
Modeling and simulation of photon‐coupled, fluorescent photoswitchable protein logic
Authors: Rakos Balázs 
Published: August 2020

SummaryToday's society has an ever‐increasing demand for smaller‐scale, lower‐energy‐consuming, cheaper, and faster computing and digital signal processing systems. Photon‐coupled, fluorescent photoswitchable protein‐based architectures are promising candidates for the fulfillment of these requirements. In order to properly design digital circuits based on the aforementioned building blocks, an efficient simulation procedure is needed. We present a simple, differential equation‐based model, suitable for the design and simulation of such structures. It characterizes the radiation‐induced switching, the form‐dependent fluorescence, and the effect of photon coupling in a fast and efficient manner. The applicability of the model is demonstrated through simulations of the OR and NOR logic gates consisting of readily available, fluorescent photoswitchable proteins. It can be a potential design tool for future molecular logic circuitry based on such molecules.