bluuebunny/crossref_metadata_2025_split huggingface dataset:
Connecting Rheological Properties and Molecular Dynamics of Egg‐Tempera Paints based on Egg Yolk
Authors: Fanost Agathe , de Viguerie Laurence , Ducouret Guylaine , Mériguet Guillaume , Walter Philippe , Glanville Helen , Rollet Anne‐Laure , Jaber Maguy 
Published: November 2021

AbstractEgg‐tempera painting is a pictorial technique widely used in the Middle Ages, although poorly studied in its physico‐chemical aspects until now. Here we show how NMR relaxometry and rheology can be combined to probe egg‐tempera paints and shed new light on their structure and behavior. Based on recipes of the 15th century, model formulations with egg yolk and green earth have been reproduced to characterize the physicochemical properties of this paint at the mesoscopic and macroscopic scales. The rheological measurements highlight a synergetic effect between green earth and egg yolk, induced by the interactions between them and the structural organisation of the system. 1H NMR relaxometry emphasizes the presence and the structure of a network formed by the yolk and the pigment.
A Lateral Flow Test for Staphylococcus aureus in Nasal Mucus Using a New DNAzyme as the Recognition Element
Authors: Ali M. Monsur , Silva Ryan , White Dawn , Mohammadi Saeed , Li Yingfu , Capretta Alfredo , Brennan John D. 
Published: November 2021

AbstractDetection of pathogenic bacteria in complex biological matrices remains a major challenge. Herein, we report the selection and optimization of a new DNAzyme for Staphylococcus aureus (SA) and the use of the DNAzyme to develop a simple lateral flow device (LFD) for detection of SA in nasal mucus. The DNAzyme was generated by in vitro selection using a crude extra/intracellular mixture derived from SA, which could be used directly for simple solution or paper‐based fluorescence assays for SA. The DNAzyme was further modified to produce a DNA cleavage fragment that acted as a bridging element to bind DNA‐modified gold nanoparticles to the test line of a LFD, producing a simple colorimetric dipstick test. The LFD was evaluated with nasal mucus samples spiked with SA, and demonstrated that SA detection was possible in minutes with minimal sample processing.
Two‐Dimensional Chiral Polyrotaxane Monolayer with Emergent and Steerable Circularly Polarized Luminescence
Authors: Hu Liangyu , Zhu Xuefeng , Yang Chenchen , Liu Minghua 
Published: November 2021

AbstractHere, we propose a mechanically interlocked strategy to achieve a 2D chiral polyrotaxane (2DCPR) monolayer with emergent and steerable CPL activity by utilizing β‐cyclodextrin as the chiral wheel and a luminescent dynamic covalent organic framework as 2D polymeric axle. Such methodology, integrating host–guest and dynamic covalent chemistry, enabled the direct construction of a delaminated 2DCPRmonolayer with extraordinarily large size (up to tens of micrometers) and simultaneously endowed chirality to the extended 2DCPRnetwork to generate CPL activity. Importantly, not only the structure but also the CPL performance of the 2DCPRnetwork can be further regulated by the feeding amount of β‐cyclodextrin. This work demonstrated a monolayered 2DCPRwith CPL activity for the first time. The insightful structure–property relationship of the induced CPL will be of benefit for a deeper understanding of the excited‐state chirality of 2D chiral nanomaterials.
Cobalt Single Atom Incorporated in Ruthenium Oxide Sphere: A Robust Bifunctional Electrocatalyst for HER and OER
Authors: Shah Khadim , Dai Ruoyun , Mateen Muhammad , Hassan Zubair , Zhuang Zewen , Liu Chuhao , Israr Muhammad , Cheong Weng‐Chon , Hu Botao , Tu Renyong , Zhang Chao , Chen Xin , Peng Qing , Chen Chen , Li Yadong 
Published: November 2021

AbstractThe development of highly active and stable bifunctional noble‐metal‐based electrocatalysts for the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) is a crucial goal for clean and renewable energy, which still remains challenging. Herein, we report an efficient and stable catalyst comprising a Co single atom incorporated in an RuO2 sphere for HER and OER, in which the Co single atom in the RuO2 sphere was confirmed by XAS, AC‐STEM, and DFT. This tailoring strategy uses a Co single atom to modify the electronic structures of the surrounding Ru atoms and thereby remarkably elevates the electrocatalytic activities. The catalyst requires ultralow overpotentials, 45 mV for HER and 200 mV for OER, to deliver a current density of 10 mA cm−2. The theoretical calculations reveal that the energy barriers for HER and OER are lowered after incorporation of a cobalt single atom.
Oriented Two‐Dimensional Covalent Organic Framework Membranes with High Ion Flux and Smart Gating Nanofluidic Transport
Authors: Cao Li , Liu Xiaowei , Shinde Digambar B. , Chen Cailing , Chen I‐Chun , Li Zhen , Zhou Zongyao , Yang Zhongyu , Han Yu , Lai Zhiping 
Published: November 2021

AbstractNanofluidic ion transport holds high promise in bio‐sensing and energy conversion applications. However, smart nanofluidic devices with high ion flux and modulable ion transport capabilities remain to be realised. Herein, we demonstrate smart nanofluidic devices based on oriented two‐dimensional covalent organic framework (2D COF) membranes with vertically aligned nanochannel arrays that achieved a 2–3 orders of magnitude higher ion flux compared with that of conventional single‐channel nanofluidic devices. The surface‐charge‐governed ion conductance is dominant for electrolyte concentration up to 0.01 M. Moreover, owing to the customisable pH‐responsivity of imine and phenol hydroxyl groups, the COF‐DT membranes attained an actively modulable ion transport with a high pH‐gating on/off ratio of ≈100. The customisable structure and rich chemistry of COF materials will offer a promising platform for manufacturing nanofluidic devices with modifiable ion/molecular transport features.
The effect of silicon dioxide nanoparticle‐covered graphene oxide on mechanical properties, thermal stability and rheological performance of thermoplastic polyurethanes
Authors: Ding Guoxin , Tai Hongxu , Chen Chuanxin , Sun Chenfeng , Tang Zhongfeng , Cheng Guojun , Wan Xianglong , Wang Zhoufeng 
Published: November 2021

AbstractA two‐step grafting procedure has been used to graft tetraethylenepentamine (TEPA) and nano silicon dioxide (SiO2), onto graphene oxide (GO) surface. The resulting modified GO, that was TGOS, which was used as a reinforcement in thermoplastic polyurethanes (TPUs). Mechanical properties, thermal stability and rheological properties of composites were investigated. Results showed that the addition of TGOS significantly improved the mechanical properties of TPU compared with the pure TPU sample. Tensile strength and elongation at break of TPU were increased by 50.8 and 18.6%, respectively, when the addition amount was only 0.5 wt%. TG results showed that the addition of TGOS improved the heat resistance of TPU. Complex viscosity, storage modulus (G') and loss modulus (G") of TPU composites with different additions were analyzed by rheological tests, the results showed that the addition of TGOS improved the deformation resistance of TPU. Meanwhile, TPU composites present highG',G", and complex viscosity with the increase of TGOS filling amount in the low frequency region.
Nickel‐Catalyzed Asymmetric Hydrogenation for the Synthesis of a Key Intermediate of Sitagliptin
Authors: Sudhakaran Shana , Shinde Prasad G. , Aratikatla Eswar K. , Kaulage Sandeep H. , Rana Priksha , Parit Ratan S. , Kavale Dattatry S. , Senthilkumar Beeran , Punji Benudhar 
Published: November 2021

AbstractNickel‐catalyzed enantioselective hydrogenation of enamines leading to the efficient synthesis of 3‐R‐Boc‐amino‐4‐(2,4,5‐trifluorophenyl)butyric esters, the key intermediate of the blockbuster antidiabetic drug (R)‐SITAGLIPTIN, is described. The sitagliptin motifs were isolated in more than 99% yield and with 75–92% ee using the earth‐abundant nickel catalyst. Upon chiral resolution with (R)‐ and (S)‐1‐phenylethylamines, the partially enantioenriched (R)‐ and (S)‐Boc‐3‐amino‐4‐(2,4,5‐trifluorophenyl)butanoic acids provided >99.5% ee of the crucial sitagliptin intermediate. The asymmetric hydrogenation protocol was scaled up to 10 g with consistency in yield and ee, and has been reproduced in multiple batches.
A cyclic non‐homogeneous Markov chain model for resource availability optimization in a two‐parking lots system with priority classes and resource reservation
Authors: Koutras Vasilis P. , Kadrefi Athanasia , Platis Agapios N. 
Published: November 2021

AbstractResource availability optimization has gained a lot of research effort recently, especially in client–server systems. A parking lot can be considered such a client–server system. Parking lot resource availability importance increased during the last decades since there is a tremendous increase of vehicles' usage not only in urban areas but in rural areas too. Academia and industry have extensively studied the problem of parking availability under various constraints and limitations. In this article, we extend previous work on parking lot resource availability optimization by providing an integrated theoretical framework for modeling resource reservation in a two‐parking lot problem which can be accessed by clients of different priorities under nonconstant arrival and service rates. The aim is to determine the optimal parking place reservation policy, which minimizes the blocking probability for each clients' class at each parking lot for different traffic periods. Under the optimal policy, we compute two different performance indicators; from clients' perspective we compute the total expected walking time from the parking lot to the point of interest, and from company's point of view, the total expected hourly profit. To model the fact that clients' arrival and service rates are time dependent, we use a cyclic nonhomogeneous Markov chain to model the entire system's evolution in time. Additionally, an empirical numerical case study is provided to examine the effectiveness of the proposed resource reservation approach.
Accretion mode and jet collimation in active galactic nuclei
Authors: Boccardi Bia , Madika Eftychia , Ricci Luca 
Published: November 2021

AbstractIn this article, we summarize our recent progress in observational studies of jet collimation in active galactic nuclei. We focus on the investigation of a relation between the properties of the collimation zone and the AGN accretion mode, recently proposed by Boccardi, B., Perucho, M., Casadio, C. et al., 2021, A&A, 647, A67. We also discuss the efforts made by our team to increase the still limited number of sources that can be imaged on sufficiently small spatial scales to probe such zone, and we present first results for new candidates.
“Honecker's Vassal” or a Prehistorian in the Service of Science? The Evaluation of Former East German Scholarship and the Concept ofthe Scholarin the Debate on Joachim Herrmann in Reunified Germany
Authors: Kluger Anne 
Published: November 2021

AbstractThe evaluation and transformation process of the GDR research system in the wake of German reunification 1989/90 was immediately accompanied not only by debates within the scientific community, but also by an extensive discussion about the value and future perspectives of East German scholarship and its protagonists in the nationally circulated press. In 1990, the focus turned temporarily to the prominent East German prehistorian Joachim Herrmann after his election to the board of an international historical association. The article uses the example of Herrmann and the public discussion about him as a case study to examine the status of, and changes in, the authority of scholarship and the scholar in the context of the evaluation and restructuring of the East German research landscape in the early 1990s. A selection of press articles from nationwide German newspapers and newsmagazines, as well as archival letters exchanged between different participants in the debate serve as prisms carving out the central arguments and subjacent structures of the discussion. Therefore, Herrmann's case exposes generic characteristics of (different concepts of) scientific authority and the close connection between its negotiation and the search for identity in the newly reunited German academic sphere.
Corporate ESG reporting quantity, quality and performance: Where to now for environmental policy and practice?
Authors: Arvidsson Susanne , Dumay John 
Published: November 2021

AbstractEnvironmental, social and governance (ESG) issues are driving corporate strategy and performance. However, does this mean more ESG reporting is being done? If so, is the quality of ESG reports improving? And what about ESG performance? In this paper, we examine these three trends in ESG reporting—quantity, quality and corporate ESG performance. With a Swedish multinational corporate focus, we analyse data from Sustainalytics, corporateregister.com and the Alliance for Corporate Transparency to answer our research questions. Our analysis shows that, while the quality of ESG information in Sweden has steadily improved, performance plateaued around 2015. Mitigating problems such as the impacts of climate change and COVID‐19 call for improved ESG performance, not improved ESG reporting quantity or quality. Thus, rather than focusing on improving ESG reporting regulations, we need to redirect our focus towards creating better ESG outcomes. Therefore, we argue that companies must be asked to provide data that are more timely, relevant, credible and comparable and that demonstrate improved ESG performance. With this information, financial analysts and investors can redirect and accelerate capital flows towards corporate investments that help tackle important problems related to climate crises and the reaching of a sustainable development. Our analysis reveals that we need more research focusing on consumers, investors and policymakers. Future scholars could explore how changing consumer preferences are driving improvements in ESG performance and how changing capital market allocations affect ESG performance.
Founder CEOs and corporate environmental violations: Evidence from S&P 1500 firms
Authors: Abebe Michael A. , Acharya Keshab 
Published: November 2021

AbstractThe Chief Executive Officer (CEO), as the principal leader of the firm, plays an essential role in the prevention of corporate misconduct. While all CEOs have a responsibility to reduce incidents of corporate misconduct, not all are equally effective in doing so. In this study, we propose that given their central role in the inception of the firm, their psychological attachment, and stewardship mentality, founder CEO‐led firms exhibit less likelihood and frequency of environmental violations, which are major types of corporate misconduct. Additionally, we explore the possibility that founder CEOs' ability to reduce environmental violations may decline over time as the firm gets older and larger, using insights from organizational life cycle theory. Our analyses of data from major environmental violation incidents among S&P 1500 firms between 2009 and 2018 provide some support for our arguments. Specifically, we found that founder CEO leadership is indeed associated with a reduced likelihood and frequency of environmental violations. Furthermore, we observed that the normally negative relationship between founder CEO leadership and the occurrence of environmental violations turns positive as the firm gets older, consistent with organizational life cycle theory predictions. Implications for research and practice are discussed.
Oligo Pools as an Affordable Source of Synthetic DNA for Cost‐Effective Library Construction in Protein‐ and Metabolic Pathway Engineering
Authors: Kuiper Bastiaan P. , Prins Rianne C. , Billerbeck Sonja 
Published: November 2021

AbstractThe construction of custom libraries is critical for rational protein engineering and directed evolution. Array‐synthesized oligo pools of thousands of user‐defined sequences (up to ∼350 bases in length) have emerged as a low‐cost commercially available source of DNA. These pools cost ≤10 % (depending on error rate and length) of other commercial sources of custom DNA, and this significant cost difference can determine whether an enzyme engineering project can be realized on a given research budget. However, while being cheap, oligo pools do suffer from a low concentration of individual oligos and relatively high error rates. Several powerful techniques that specifically make use of oligo pools have been developed and proven valuable or even essential for next‐generation protein and pathway engineering strategies, such as sequence‐function mapping, enzyme minimization, or de‐novo design. Here we consolidate the knowledge on these techniques and their applications to facilitate the use of oligo pools within the protein engineering community.
An ESIPT‐Dependent AIE Fluorophore Based on HBT Derivative: Substituent Positional Impact on Aggregated Luminescence and its Application for Hydrogen Peroxide Detection
Authors: Zeng Guanling , Liang Zhenhao , Jiang Xiao , Quan Tingting , Chen Tongsheng 
Published: November 2021

AbstractAiming to develop the facile organic fluorophore possessing excited state intramolecular proton transfer (ESIPT) and aggregation‐induced emission (AIE), we designed and synthesized two isomers with different linkage site between hydroxyl of 2‐(2‐hydroxyphenyl) benzothiazole (HBT) and a benzothiazole substituent (para position refers to p‐BHBT and ortho position refers to o‐BHBT). Fluorescence emission properties of p‐BHBT and o‐BHBT in THF/water mixtures with different water volume fractions indicated an opposite luminescence in aggregates, in which p‐BHBT showed an ESIPT‐dependent AIE properties while o‐BHBT displayed ESIPT effect and aggregation‐caused quenching (ACQ) qualities. A possible mechanism for molecular actions to illustrate the aggregating luminescence alteration of these two isomers had been proposed and verified by theoretical and experimental studies. More importantly, Probe‐1, generated from dual ESIPT‐AIE fluorophore p‐BHBT, was successfully used as a ratiometric fluorescent chemosensor for highly selective (above 15‐fold over other ROS) and sensitive (69‐fold fluorescence enhancement with 0.22 μM of detection limit) detection of hydrogen peroxide in aqueous solution and living cells, respectively.
Understanding the Effects of Binders in Gas Sorption and Acidity of Aluminium Fumarate Extrudates
Authors: Rivera‐Torrente Miguel , Kroon Danny , Coulet Marie‐Vanessa , Marquez Carlos , Nikolopoulos Nikolaos , Hardian Rifan , Bourrelly Sandrine , De Vos Dirk , Whiting Gareth T. , Weckhuysen Bert M. 
Published: November 2021

AbstractUnderstanding the impact of shaping processes on solid adsorbents is critical for the implementation of MOFs in industrial separation processes or as catalytic materials. Production of MOF‐containing shaped particles is typically associated with loss of porosity and modification of acid sites, two phenomena that affect their performance. Herein, we report a detailed study on how extrusion affects the crystallinity, porosity, and acidity of the aluminium fumarate MOF with clays or SiO2 gel binders. Thorough characterization showed that the clay binders confer the extrudates a good mechanical robustness at the expense of porosity, while silica gel shows an opposite trend. The CO2 selectivity towards CH4, of interest for natural gas separation processes, is maintained upon the extrusion process. Moreover, probe FTIR spectroscopy revealed no major changes in the types of acid sites. This study highlights that these abundant and inexpensive clay materials may be used for scaling MOFs as active adsorbents.
Visible‐Light‐Promoted [3 + 2] Cycloaddition of 2H‐Azirines with Quinones: Access to Substituted Benzo[f]isoindole‐4,9‐diones
Authors: Wang Lijia , Liu Chuang , Li Lei , Wang Xin , Sun Ran , Zhou Ming‐Dong , Wang He 
Published: November 2021

Comprehensive SummaryA visible‐light‐promoteded [3 + 2] cycloaddition reaction of 2H‐azirines with quinones has been developed under mild reaction conditions. The reaction provides a general and efficient strategy for the synthesis of the benzo[f]isoindole‐4,9‐diones scaffold via a tandem [3 + 2] cyclization/oxidative aromatization with molecular oxygen. Furthermore, preliminary studies for photocatalytic properties show that the benzo[f]isoindole‐4,9‐diones 3 can be used as photocatalysts in several organic transformations.
Solid‐State C−N Cross‐Coupling Reactions with Carbazoles as Nitrogen Nucleophiles Using Mechanochemistry
Authors: Kubota Koji , Endo Tsubura , Uesugi Minami , Hayashi Yuta , Ito Hajime 
Published: November 2021

AbstractThe palladium‐catalyzed solid‐state C−N cross‐coupling of carbazoles with aryl halides via a high‐temperature ball‐milling technique has been reported. This reaction allowed simple, fast, and efficient synthesis of N‐arylcarbazole derivatives in good to excellent yields without the use of large amounts of organic solvents in air. Importantly, the developed solid‐state coupling approach enabled the cross‐coupling of poorly soluble aryl halides with large polyaromatic structures that are barely reactive under conventional solution‐based conditions.
HCl‐Catalyzed Aerobic Oxidation of Alkylarenes to Carbonyls
Authors: Niu Kaikai , Shi Xiaodi , Ding Ling , Liu Yuxiu , Song Hongjian , Wang Qingmin 
Published: November 2021

AbstractThe construction of C−O bonds through C−H bond functionalization remains fundamentally challenging. Here, a practical chlorine radical‐mediated aerobic oxidation of alkylarenes to carbonyls was developed. This protocol employed commercially available HCl as a hydrogen atom transfer (HAT) reagent and air as a sustainable oxidant. In addition, this process exhibited excellent functional group tolerance and a broad substrate scope without the requirement for external metal and oxidants. The mechanistic hypothesis was supported by radical trapping,18O labeling, and control experiments.
Asymmetric allelic introgression across a hybrid zone of the coal tit (Periparus ater) in the central Himalayas*
Authors: Wolfgramm Hannes , Martens Jochen , Töpfer Till , Vamberger Melita , Pathak Abhinaya , Stuckas Heiko , Päckert Martin 
Published: November 2021

AbstractIn the Himalayas, a number of secondary contact zones have been described for vicariant vertebrate taxa. However, analyses of genetic divergence and admixture are missing for most of these examples. In this study, we provide a population genetic analysis for the coal tit (Periparus ater) hybrid zone in Nepal. Intermediate phenotypes between the distinctive western “spot‐winged tit” (P. a. melanolophus) and Eastern Himalayan coal tits (P. a. aemodius) occur across a narrow range of <100 km in western Nepal. As a peculiarity, another distinctive cinnamon‐bellied form is known from a single population so far. Genetic admixture of western and eastern mitochondrial lineages was restricted to the narrow zone of phenotypically intermediate populations. The cline width was estimated 46 km only with a center close to the population of the cinnamon‐bellied phenotype. In contrast, allelic introgression of microsatellite loci was asymmetrical from easternP. a. aemodiusinto far western populations of phenotypicP. a. melanolophusbut not vice versa. Accordingly, the microsatellite cline was about 3.7 times wider than the mitochondrial one.