bluuebunny/crossref_metadata_2025_split huggingface dataset:
Self‐Assembled Urchin‐Like CuWO4/WO3 Heterojunction Nanoarrays as Photoanodes for Photoelectrochemical Water Splitting
Authors: Wang Tao , Fan Xiaoli , Gao Bin , Jiang Cheng , Li Yang , Li Peng , Zhang Songtao , Huang Xianli , He Jianping 
Published: November 2020

AbstractWith attractive visible‐light response and chemical stability, CuWO4 has emerged to be a promising candidate as a photoanode for photoelectrochemical (PEC) water oxidation. In this work, we report a one‐step hydrothermal method to prepare CuWO4‐based films directly grown on a conductive glass substrate from a stable precursor solution. By controlling the reaction duration, CuWO4/WO3 heterojunctions with urchin‐like nanoarray morphology are obtained. The CuWO4/WO3 film obtained with an optimized hydrothermal reaction time exhibits an onset potential of 0.6 V and a photocurrent density of 0.48 mA cm−2 at 1.23 V vs. RHE, which is almost five times that of bare CuWO4. The superior structure of the urchin‐like array with large surface area, optimizing film thickness for adequate light absorption and formation of heterojunctions for efficient charge separation conjointly, contributes to the improved performance as well as robust stability.
Nanoparticle‐ and Nanotube‐Modified Electrodes: Response of Drop‐Cast Surfaces
Authors: Zhang Yifei , Selva Kumar Archana Kaliyaraj , Li Danlei , Yang Minjun , Compton Richard G. 
Published: November 2020

AbstractThe morphology of electrodes modified by drop casting layers of multi‐walled carbon nanotubes (MWCNTs) and platinum nanoparticles (PtNPs) is investigated and shown to exhibit significant heterogeneity, both in the form of ‘patchy’ surfaces and of ‘coffee rings’ formed after evaporation of the carrier solvent. The variation of the heterogeneity with total average coverage is studied and the consequences for quantitative analytical voltammetry assessed. Specifically, the oxidation of bromide in aqueous solution is examined in the case of MWCNTs‐modified electrodes and the oxidation of aqueous As(III) in that of PtNPs‐modified electrodes. In both cases, significant deviations from the expected voltammetry are observed, even for average coverages that correspond to much in excess of a monolayer of CNTs or NPs. The observed voltammetry is related to the observed structure and the use of such modified electrodes, without concomitant microscopic surface characterization, is caveated.
A Functional Hexaphenylbenzene Library Comprising of One, Three, and Six Peripheral Rylene‐Diimide Substituents
Authors: Dusold Carolin , Platzer Benedikt , Haines Philipp , Reger David , Jux Norbert , Guldi Dirk. M. , Hirsch Andreas 
Published: November 2020

AbstractSynthesis and characterization of a series of rylene‐diimide substituted hexaphenylbenzenes (HPBs) is presented. The direct connection of the rylene‐diimide units to the HPBs via the imide‐N‐position without any linkers as well as the use of naphthalene‐diimides (NDIs) next to perylene‐diimides (PDIs) is unprecedented. While mono‐substituted products were obtained by imidization reactions with amino‐HPB and the respective rylene‐monoimides, key step for the formation of tri‐ and hexa‐substituted HPBs is the Co‐catalysed cyclotrimerization. Particular emphasis for physic‐chemical characterization was on to the number of NDIs/PDIs per HPB and the overall substitution patterns. Lastly, Scholl oxidation conditions were applied to all HPB systems to generate the corresponding hexa‐peri‐hexabenzocoronenes (HBCs). Importantly, the efficiency of the transformation strongly depends on the number of NDIs/PDIs. While three rylene‐diimide units already hinder the Scholl reaction, the successful synthesis of mono‐substituted HBCs is possible.
Enzyme Multifunctionality by Control of Substrate Positioning Within the Catalytic Cycle—A QM/MM Study of Clavaminic Acid Synthase
Authors: Wojdyla Zuzanna , Borowski Tomasz 
Published: November 2020

AbstractClavaminic acid synthase from Streptomyces clavuligerus is an FeII/2‐oxoglutarate‐dependent dioxygenase, crucial for the biosynthesis of the β‐lactamase inhibitor clavulanic acid. It catalyses three consecutive oxidative reactions, that is, hydroxylation, cyclisation and desaturation, in a single binding cavity. As follows from the results of this QM/MM study, CAS versatility and selectivity depends on the binding cavity, which interplays differently with the substrate for each reaction. The enzyme–substrate interactions affect the substrate's ability to re‐position during the reaction, either constraining it in its primary position, which impedes processes other than oxygen rebound, or allowing change, which facilitates desaturation. This differential effect originates from two aspartate residues, which strongly interact with the guanidine group of the hydroxylation substrate and stabilise the orientation of the molecule. These residues interact less effectively with the smaller amine group of the desaturation substrate(s), aiding their re‐positioning and the subsequent formation of a double bond.
Reversibly Switchable Phase‐Dependent Emission of Quinoline and Phenothiazine Derivatives towards Applications in Optical Sensing and Information Multicoding
Authors: Sych Galyna , Pashazadeh Ramin , Danyliv Yan , Bezvikonnyi Oleksandr , Volyniuk Dmytro , Lazauskas Algirdas , Grazulevicius Juozas V. 
Published: November 2020

AbstractThree new quinoline and di‐tert‐butyl phenothiazine isomeric derivatives were synthesized and characterized towards applications for oxygen sensing and optical information multicoding. The compounds with phenylene linker showed outstanding phase‐dependent reversibility between ON/OFF states (low and high emission intensity, drastic shifting of emission colors, short‐ and long‐lived fluorescence) in systematic grinding/fuming cycles, as required for multichannel memory devices based on optical information multicoding. The conformational diversity of the phenothiazine unit resulted in dual emission of the doped films implemented by the different luminescence mechanisms with peaks located at 414/530, 416/540, and 440/582 nm. The presence of a phenylene linker and thus two rotational degrees of freedom resulted in quenching of the delayed fluorescence of quasi‐equatorial conformers in the solid state. The compound containing no phenylene bridge was characterized by two different driving photoluminescence mechanisms of the doped films: short fluorescence of the quasi‐axial conformer and thermally activated delayed fluorescence of the quasi‐equatorial form. This compound showed oxygen sensitivity with a Stern–Volmer constant of 7.5×10−4 ppm−1.
Candida antarctica lipase‐B‐catalyzed kinetic resolution of 1,3‐dialkyl‐3‐hydroxymethyl oxindoles
Authors: Kumar Naveen , Kumar Akshay , Sahoo Subash Chandra , Chimni Swapandeep Singh 
Published: November 2020

AbstractCandida antarctica (CAL‐B) lipase‐catalyzed resolution of 1,3‐dialkyl‐3‐hydroxymethyl oxindoles has been performed to obtain (R)‐1,3‐dialkyl‐3‐acetoxymethyl oxindoles with up to 99% ee and (S)‐1,3‐dialkyl‐3‐hydroxymethyl oxindoles with up to 78% ee using vinyl acetate as acylating agent and acetonitrile as solvent transforming (S)‐3‐allyl‐3‐hydroxymethyl oxindole to (3S)‐1′‐benzyl‐5‐(iodomethyl)‐4,5‐dihydro‐2H‐spiro[furan‐3,3′‐indolin]‐2′‐one. The optically active 3‐substituted‐3‐hydroxymethyl oxindoles and spiro‐oxindoles are among the key synthons in the synthesis of potentially biologically active molecules.
Can managers become entrepreneurs? A moderated mediation model of entrepreneurial intention
Authors: Karadağ Hande , Şahin Faruk 
Published: November 2020

AbstractThis study investigates the role of entrepreneurial knowledge on the formation of entrepreneurial intentions in a sample of 190 middle‐level managers by extending the theory of planned behaviour (TPB). Findings indicate that entrepreneurial knowledge has a significant and positive effect on entrepreneurial intention (EI), whereas personal attitude (PA) and personal behavioural control (PBC) mediate the relationship between entrepreneurial knowledge and intention. Findings also indicate that the third construct of TPB, namely social norm, moderates the mediating role of the indirect intention effect of entrepreneurial knowledge through PA and PBC differently. Together, the findings suggest several directions for managers and organizations, as well as policy‐makers, who are responsible for creating more productive and innovative entrepreneurial ventures.
Investigation of catalytic hydrodeoxygenation of anisole as bio‐oil model compound over Ni‐Mo/TiO2 and Ni‐V/TiO2 catalysts: Synthesis, kinetic, and reaction pathways studies
Authors: Aqsha Aqsha , Katta Lakshmi , Tijani Mansour M. , de Oliveira Camilla F. , Mahinpey Nader 
Published: November 2020

AbstractThis work investigates the catalytic hydrodeoxygenation (HDO) of a model component (anisole) of lignocellulose biomass over Mo‐ and V‐promoted Ni deposited on titania support. The physico‐chemical properties of each material were elucidated, and reactions were studied over a wide range of temperatures to enable examination of kinetic parameters. Crystallite sizes were estimated and were corroborated strongly by the transmission electron microscopy results. The presence of Ni, Ti, Mo, and V species was confirmed through X‐ray photoelectron spectroscopy (XPS). Significant HDO activity for both the catalysts could be attributed to high dispersions of metals and acidic sites, which were affected by the interaction between Ni metal and the titania support. The higher activity of Ni‐Mo/TiO2 may have resulted from the high Ni/Ti surface atomic ratio, which was confirmed by XPS. The major product of the anisole HDO reactions was phenol. Interestingly, a considerable amount of benzene and cyclohexane was also noticed in the anisole HDO reaction. The overall activation energy values for anisole reactions over Ni‐Mo/TiO2 and Ni‐V/TiO2 were 80.9 kJ/mol and 53.9 kJ/mol, respectively.
Characterization of mWake expression in the murine brain
Authors: Bell Benjamin J. , Wang Annette A. , Kim Dong Won , Xiong Jiali , Blackshaw Seth , Wu Mark N. 
Published: November 2020

AbstractStructure–function analyses of the mammalian brain have historically relied on anatomically‐based approaches. In these investigations, physical, chemical, or electrolytic lesions of anatomical structures are applied, and the resulting behavioral or physiological responses assayed. An alternative approach is to focus on the expression pattern of a molecule whose function has been characterized and then use genetic intersectional methods to optogenetically or chemogenetically manipulate distinct circuits. We previously identified WIDE AWAKE (WAKE) in Drosophila, a clock output molecule that mediates the temporal regulation of sleep onset and sleep maintenance. More recently, we have studied the mouse homolog, mWAKE/ANKFN1, and our data suggest that its basic role in the circadian regulation of arousal is conserved. Here, we perform a systematic analysis of the expression pattern of mWake mRNA, protein, and cells throughout the adult mouse brain. We find that mWAKE labels neurons in a restricted, but distributed manner, in multiple regions of the hypothalamus (including the suprachiasmatic nucleus, dorsomedial hypothalamus, and tuberomammillary nucleus region), the limbic system, sensory processing nuclei, and additional specific brainstem, subcortical, and cortical areas. Interestingly, mWAKE is also observed in non‐neuronal ependymal cells. In addition, to describe the molecular identities and clustering of mWake+ cells, we provide detailed analyses of single cell RNA sequencing data from the hypothalamus, a region with particularly significant mWAKE expression. These findings lay the groundwork for future studies into the potential role of mWAKE+ cells in the rhythmic control of diverse behaviors and physiological processes.
Adaptive context‐aware service optimization in mobile cloud computing accounting for security aspects
Authors: Nawrocki Piotr , Sniezynski Bartlomiej , Kolodziej Joanna , Szynkiewicz Pawel 
Published: November 2020

SummaryIn this article, we present an original agent‐based adaptive task scheduling system which optimizes the performance of services in the mobile cloud computing environment using machine learning mechanisms and context information. The system learns how to allocate resources appropriately: how to schedule services/tasks optimally between the mobile device and the cloud. Decisions are made taking into account the context (e.g., network connection type, location, security level). In this study, a supervised learning agent architecture and service selection algorithm are proposed to solve this problem. Adaptation is performed online on a mobile device. To verify the solution proposed, appropriate software has been developed and a series of experiments has been conducted. Results demonstrate that owing to the experience gathered and the learning process performed, the decision module becomes more efficient in assigning the task to either the mobile device or cloud resources. In the face of presented improvements, the security issues inherent in the context of mobile services/applications and cloud computing are further discussed. As threats associated with mobile data offloading are a serious concern, often ruling out the utilization of cloud services, we propose a more security focused approach for our solution, preferably without hindering performance.
Photoredox‐Mediated Synthesis of β‐Hydroxydithioacetals from Terminal Alkynes
Authors: Manzer Manhas Farah , Kumar Jaswant , Raheem Shabnam , Thakur Pankaj , Rizvi Masood Ahmad , Shah Bhahwal Ali 
Published: November 2020

AbstractA single‐step visible light mediated synthesis of β‐hydroxydithioacetals via oxidative coupling of terminal alkynes with thiophenol is reported. Compared to other multistep strategies, this work presents a rare tandem introduction of disulfides and a hydroxy group at the β‐position in one pot. The reaction is enabled by aerial oxidation, features high efficiency and mild conditions, and is extendable to both aliphatic and aromatic alkynes.
Felt betrayed or resisted? The impact of pre‐crisis corporate social responsibility reputation on post‐crisis consumer reactions and retaliatory behavioral intentions
Authors: Kang Jiyun , Slaten Tiffani , Choi Woo Jin 
Published: November 2020

AbstractWe develop and test a model that illustrates the effects of pre‐crisis corporate social responsibility (CSR) reputation on consumers' perceived betrayal, resistance to negative information, and retaliatory behavioral intentions, accounting for two types of brand crises, namely, corporate ability and corporate responsibility crises. To enhance the external validity and generalizability of our model testing results, we collect data from 1,045 randomly selected adults across the United States. The results from multi‐group structural equation modeling show that when a brand's pre‐crisis CSR reputation is stronger, consumers are less likely to feel betrayed. Stronger pre‐crisis CSR reputation also leads consumers to be more resistant to negative information about the brand. However, the two types of brand crises moderate the effects of pre‐crisis CSR reputation on consumers' reactions and retaliatory behavioral intentions. The results from our research significantly deepen and advance the understanding of the differences in consumer reaction processes between these two crisis types, highlighting consumers' perceived betrayal as the emotional mechanism through which those different consumer responses arise. The results further help practitioners better conceptualize how to respond to a given crisis to minimize consumers' negative feelings and thereby reduce their retaliatory behaviors.
Cultural organizations, digital Corporate Social Responsibility and stakeholder engagement in virtual museums: a multiple case study. How digitization is influencing the attitude toward CSR
Authors: Esposito Paolo , Ricci Paolo 
Published: November 2020

AbstractThe best presentation of a nation's cultural heritage has been a recurrent theme in the scientific and cultural debate. Few studies, however, have investigated how cultural organizations are influenced by digitization when communicating corporate social responsibility. By adopting a multiple case study approach, we investigated a sample of virtual museums and their digital CSR culture. This study contributes to the literature on CSR effectiveness in cultural organizations, by focusing on how digitization is influencing the attitude toward CSR disclosure, in order to provide suggestions for cultural managers, scholars, policymakers and practitioners alike. More specifically, this paper aims to examine stakeholders' perceptions in digital cultural organizations as a new form of social responsibility. To the best of our knowledge, this is the only study that applies this perspective to the analysis of the digitization process through CSR, currently under way across cultural institutions around the world.
Transformative disciplinary learning in history and social studies: Lessons from a high autonomy curriculum in New Zealand
Authors: Wood Bronwyn E. , Sheehan Mark 
Published: November 2020

AbstractThe challenges of naming a bounded disciplinary body of knowledge for the social sciences has made it difficult to define and clearly articulate ‘what counts’ for disciplinary learning in school curricula. The shift to ‘new’ generic skills with an associated autonomy of curriculum content choice and learner‐centred approaches has introduced further challenges for the social sciences. In this paper, we consider what transformative disciplinary learning might look like for two core social science subjects in New Zealand—history and social studies. We begin by outlining what we mean by transformative disciplinary learning in history and social studies. Drawing on two in‐depth classroom‐based studies, we then examine the strategies, practices and processes that supported or undermined transformative disciplinary learning in history and social studies. In the absence of prescribed content, both subjects relied strongly on procedural approaches (historical and social enquiry processes) which helped to sustain some coherency and disciplinary learning. However, poor topic choice meant that students often missed out on in‐depth knowledge and/or opportunities for effective and transformative citizenship engagement. We conclude by highlighting the importance of content selection if students are to widen their horizons and experience transformative disciplinary learning in history and social studies.
A Deep Learning Pipeline for Nucleus Segmentation
Authors: Zaki George , Gudla Prabhakar R. , Lee Kyunghun , Kim Justin , Ozbun Laurent , Shachar Sigal , Gadkari Manasi , Sun Jing , Fraser Iain D. C. , Franco Luis M. , Misteli Tom , Pegoraro Gianluca 
Published: November 2020

AbstractDeep learning is rapidly becoming the technique of choice for automated segmentation of nuclei in biological image analysis workflows. In order to evaluate the feasibility of training nuclear segmentation models on small, custom annotated image datasets that have been augmented, we have designed a computational pipeline to systematically compare different nuclear segmentation model architectures and model training strategies. Using this approach, we demonstrate that transfer learning and tuning of training parameters, such as the composition, size, and preprocessing of the training image dataset, can lead to robust nuclear segmentation models, which match, and often exceed, the performance of existing, off‐the‐shelf deep learning models pretrained on large image datasets. We envision a practical scenario where deep learning nuclear segmentation models trained in this way can be shared across a laboratory, facility, or institution, and continuously improved by training them on progressively larger and varied image datasets. Our work provides computational tools and a practical framework for deep learning‐based biological image segmentation using small annotated image datasets. Published [2020]. This article is a U.S. Government work and is in the public domain in the USA
Synthesis and in vitro antileishmanial efficacy of benzyl analogues of nifuroxazide
Authors: Kannigadu Christina , Aucamp Janine , N'Da David D. 
Published: November 2020

AbstractLeishmaniasis is a vector‐borne parasitic disease that mostly affects populations in tropical and subtropical countries. There is currently no vaccine to protect against and only a handful of drugs are available to treat this disease. Leishmaniasis is curable, but its eradication and elimination are hindered by the emergence of multidrug resistant strains of the causative pathogens, accentuating the need for new and effective antileishmanial drugs. In search for such agents, nifuroxazide, a clinical antibiotic, was evaluated through investigation of its benzyl analogues for in vitro antileishmanial efficacy against promastigotes of various Leishmania (L.) strains. The monobenzylated analogues 1 and 2 were the most potent of all, possessing nanomolar activities up to 10‐fold higher than the parent drug nifuroxazide against all three tested Leishmania strains. Both analogues stand as antipromastigote hits for further lead investigation into their potential to act as new antileishmanial agents.
Classifying basin‐scale stratigraphic geometries from subsurface formation tops with machine learning
Authors: Pisel Jesse R. , Pyrcz Michael J. 
Published: November 2020

AbstractPresented here is a transfer‐learning model for classifying basin‐scale stratigraphic geometries from subsurface formation tops. Support vector, decision trees, random forests, AdaBoost and K‐nearest neighbour classification models are evaluated to support this challenge. Each model is trained on labelled synthetic stratigraphic geometry data generated in Python using observable geological principles and concepts. Accuracy is measured using a weighted Jaccard similarity coefficient score, and certainty of each prediction is quantified using margin sampling. The random forest classifier has the highest initial accuracy, and the optimal hyperparameters for the model that yield 88.4% accuracy and 72.8% mean certainty via five‐fold cross‐validation and active learning are documented on a real‐world subsurface dataset. The random forest classifier with optimised hyperparameters is then used to make predictions on the real‐world subsurface formation tops dataset. The dataset consists of formation tops for the Upper Cretaceous and Palaeocene strata of the Eastern Greater Green River Basin in south‐central Wyoming. Results from model predictions include an area of truncation in the Lance Formation across the basin, and an area of onlap and truncation on the nose of the Rock Springs Uplift that previous studies in the region corroborate. It is believed that this model is most useful for guided interpretation, and identifying regions that warrant further inquiry by domain experts.