bluuebunny/crossref_metadata_2025_split huggingface dataset:
„Small Talk“
Authors: Dominelli Nazzareno , Heermann Ralf 
Published: December 2020

ZusammenfassungBakterien kommunizieren über kleine diffusionsfähige Moleküle, ein Prozess, den Mikrobiologen als „Quorum sensing“ bezeichnen. Die Sprachmoleküle werden von den Bakterien in die Umgebung abgegeben und dann von den Artgenossen über spezifische Rezeptoren sensiert. Somit kann sich die Gemeinschaft absprechen und bestimmte Phänotypen an die Zellzahl, das Quorum, anpassen. Durch die verschiedenen chemischen Strukturen und Modifikationen dieser Sprachmoleküle haben Bakterien unterschiedliche Sprachen und Dialekte entwickelt, die ihnen zusätzlich auch Informationen über Zeit und Ort geben können. Darüber hinaus sind Bakterien in der Lage, mit ihren Wirten wie Tieren, Pflanzen und sogar uns Menschen „Small Talk“ zu betreiben. Da bei pathogenen Bakterien die Kommunikation fast immer Voraussetzung für die Infektion der Wirte ist, bieten die molekularen Komponenten der bakteriellen Sprache potenzielle Wirkorte für neue Medikamente zur Bekämpfung von Infektionskrankheiten.
Proteinfasern als Hochleistungsmaterial
Authors: Bargel Hendrik , Hopfe Charlotte , Scheibel Thomas 
Published: December 2020

ZusammenfassungDer evolutionäre Erfolg von Spinnen (Araneae) ist eng mit der Entwicklung und vielfältigen Verwendung ihrer Spinnenseiden verknüpft. Das Fasermaterial wird z. B. zum Schutz der Nachkommen, zur Verbreitung und Orientierung, und für den Beutefang genutzt. Etwa die Hälfte der über 48.000 bekannten Arten baut Netze, deren Variabilität als Beispiel für eine Koevolution mit Insekten und deren Lebensräumen gilt. Im Laufe der Evolution entstanden durch Anpassungen an die Beuteökologie und Veränderungen der Spidroine auf molekularer Ebene Hochleistungsmaterialien wie die Seiden der Großen Ampullendrüse, deren Zähigkeit die vieler technischer Materialien überragt. Die Etablierung einer rekombinanten Produktion von designten Spidroinen im industriellen Maßstab hat die Nutzung biokompatibler, wundheilungsfördernder und bakteriostatischer Seiden als nachhaltige Biopolymere in vielfältigen Anwendungen in Kosmetik, Biomedizin, Spezialtextilien, Filtermaterialien und Nanobiotechnologie ermöglicht.
A new and effective evaluation method for Radix Gentianae Macrophyllae herbs based on 2‐phenylethyl β‐d‐glucopyranoside, 2‐methoxyanofinic acid and gentioxepine by UPLC–QTOF–MS exploring and HPLC–DAD quantification
Authors: Liu Huan , Zhao Huan , Huang Rong , Ali Amur Safdar , Wang Xin , Meng Shian , Chen Guang 
Published: December 2020

AbstractRadix Gentianae Macrophyllae (RGM) is a traditional Chinese medicine belonging to the Gentiana genus and including four species of herbs. Owing to the lack of characteristic constituents, it is difficult to discriminate RGMs of different origins or even differentiate between herbs in the same genus. The current research aimed to explore the characteristic aromatic compounds, verify their significance in distinguishing different origins of RGM herbs and provide a simple and effective quality evaluation method. A selective extraction method was developed for noniridoid compounds and the extract was then subjected to UPLC–QTOF–MS analysis to obtain the RGM–MS ion pair database for noniridoid components. An HPLC–DAD quantitative analysis method was further developed based on characteristic aromatic compounds (2‐phenylethyl β‐d‐glucopyranoside, 2‐methoxyanofinic acid and gentioxepine) after the ion screening in the MS database. By means of principal component analysis and hierarchical clustering analysis analysis, the significant relationship between aromatic compounds contents and different species of RGM was revealed. As a result, the significance of 2‐phenylethyl β‐d‐glucopyranoside, 2‐methoxyanofinic acid and gentioxepine in distinguishing four species of RGM herbs was verified and a sensitive and reproducible HPLC–DAD method was established using these markers, which can be used for the classification and quantitative analysis of RGMs.
Rethinking power engineering education for Generation Z
Authors: Opriş Ioana , Gogoașe Nistoran Daniela E. , Costinaş Sorina , Ionescu Cristina S. 
Published: December 2020

AbstractOn the basis of STEM, STEAM, and STREAMS, this paper presents a holistic multidisciplinary improved method for power engineering education of Generation Z students. The proposed STREAMS strategy is based on using the latest developments of technology for a mixed on‐the‐move and in‐house university educational approach. A case study on STREAMS is used within power engineering education. To validate STREAMS, a pilot application and a survey are used. While 66% of the students in power engineering chose to attend on‐the‐move visits to complete classical teaching, the participation in field visits showed an improvement of the grades by about 20%, the increase of the number of students with comparative cognitive level, and a significant decrease of the fail percentage from 84.2% to 15.8%. The results show that the use of STREAMS in power engineering education allows a better understanding of both theoretical and practical issues, improves the overall attitude on studying the field, and develops critical thinking, thus leveraging the entering into the workforce. The authors consider that on‐the‐move STREAMS also proves to be a valuable improved teaching method, even under coronavirus disease 2019 pandemic restrictions.
Towards the Effect of Pt0/Ptδ+ and Ce3+ Species at the Surface of CeO2 Crystals: Understanding the Nature of the Interactions under CO Oxidation Conditions
Authors: Borges Laís Reis , da Silva Anderson Gabriel Marques , Braga Adriano Henrique , Rossi Liane Marcia , Suller Garcia Marco Aurélio , Vidinha Pedro 
Published: December 2020

AbstractWe synthesized CeO2 nanowires and nanocubes showing {110}+{100} and {100} surfaces predominantly, respectively, once the different surface energies play a crucial role in the behavior of Ce4+/Ce3+ reversibility. We found out that Pt/CeO2 nanowires presented more Ce3+ content, oxygen vacancies, and atomically dispersed Pt, indicating a stronger Pt−Ce interaction. In contrast, the Pt/CeO2 nanocubes presented a higher contribution of Ptδ+ species, suggesting a well‐controlled Pt particle size (∼1 nm) and significant interaction with ceria, with oxygen species more available at the surface. Thus, we suggest that the ceria‘s different surface energies may lead to different Pt distributions of species over the supports. H2‐reduction treatment led to changes in Pt structure that showed a better catalysis performance for the Pt/CeO2 nanowires essentially, supported by XPS and CO‐DRIFTS. Nevertheless, this step did not cause improved activity to the point of overcoming the nanocubes‐based catalyst, and the reasons were fully discussed. Herein, we propose that catalysts′ performance depends on a complex combination of several materials′ characteristics. These features may lead to different reaction pathways depending on the pre‐treatment of the samples.
Electrocatalytic Nitrogen Reduction Performance of Si‐doped 2D Nanosheets of Boron Nitride Evaluated via Density Functional Theory
Authors: Guo Zhongyuan , Qiu Siyao , Li Huan , Xu Yongjun , Langford Steven J. , Sun Chenghua 
Published: December 2020

AbstractElectrochemical nitrogen fixation under ambient conditions is proposed as a sustainable alternative to the traditional Haber‐Bosch method to combat both a global energy crisis and climate change. However, effective catalysts for electrocatalytic nitrogen reduction reaction (eNRR) under ambient conditions, a crucial part for the electrocatalysis system, still face large challenges of low Faradic efficiency (FE) and low yield of ammonia. Here, we propose Si‐doped BN 2D nanosheets (BNNS) as a new class of metal‐free catalysts, and computationally study their performance in eNRR by density functional theory (DFT). The calculations show that the Si atom in the boron‐edge site exhibits the highest activity with the over‐potential (η) of 1.06 V from the first hydrogenation step, which is close in value to the benchmark of this reaction, the flat Ru(0001) surface (η=0.92 V). Moreover, Si‐doping can greatly enhance the conductivity of pristine BNNS, making it a good candidate for electrocatalysis. Overall, this research opens up a new direction of designing high‐performance Si‐based 2D catalysts for dinitrogen fixation beyond the hotspot research of boron‐ or transition metal‐based catalysts.
Silicon–Nitrogen Bond Formation via Heterodehydrocoupling and Catalytic N‐Silylation
Authors: Reuter Matthew B. , Hageman Kate , Waterman Rory 
Published: December 2020

AbstractSilicon–nitrogen bond formation is an important subfield in main group chemistry, and catalysis is an attractive route for efficient, selective formation of these bonds. Indeed, heterodehydrocoupling and N‐silylation offer facile methods for the synthesis of small molecules through the coupling of primary, secondary, and tertiary silanes with N‐containing substrates such as amines, carbazoles, indoles, and pyrroles. However, the reactivity of these catalytic systems is far from uniform, and critical issues are often encountered with product selectivity, conversions, substrate scope, catalyst activation, and in some instances, competing side reactions. Herein, a catalogue of catalysts and their reactivity for Si−N heterodehydrocoupling and N‐silylation are reported.
Electro‐Oxidative Selective Esterification of Methylarenes and Benzaldehydes
Authors: Yu Congjun , Özkaya Bünyamin , Patureau Frederic W. 
Published: December 2020

AbstractA mild and green electro‐oxidative protocol to construct aromatic esters from methylarenes and alcohols is herein reported. Importantly, the reaction is free of metals, chemical oxidants, bases, acids, and operates at room temperature. Moreover, the design of the electrolyte was found critical for the oxidation state and structure of the coupling products, a rarely documented effect. This electro‐oxidative coupling process also displays exceptional tolerance of many fragile easily oxidized functional groups such as hydroxy, aldehyde, olefin, alkyne, as well as neighboring benzylic positions. The enantiomeric enrichment of some chiral alcohols is moreover preserved during this electro‐oxidative coupling reaction, making it overall a promising synthetic tool.
Controlled Shape Evolution of Pure‐MOF 1D Microcrystals towards Efficient Waveguide and Laser Applications
Authors: Lv Yuanchao , Xiong Zhile , Yao Yinan , Ren Ang , Xiang Shengchang , Zhao Yong Sheng , Zhang Zhangjing 
Published: December 2020

AbstractMOF‐based one‐dimensional materials have received increasing attention in the nanophotonics field, but it is still difficult in the flexible shape evolution of MOF micro/nanocrystals for desired optical functionalities due to the susceptible solvothermal growth process. Herein, we report on the well‐controlled shape evolution of pure‐MOF microcrystals with optical waveguide and lasing performances based on a bottom‐up and top‐down synergistic method. The MOF microcrystals from solvothermal synthesis (bottom‐up) enable the evolution from microrods via microtubes to nanowires through a chelating agent‐assisted etching process (top‐down). The three types of MOF 1D‐microstructures with high crystallinity and smooth surfaces all exhibit efficient optical waveguide performance. Furthermore, MOF nanowire with lowest propagation loss served as low‐threshold pure‐MOF nanolasers with Fabry–Pérot resonance. These results advance the fundamental understanding on the controlled MOF evolution mechanism, and offer a valuable route for the development of pure‐MOF‐based photonic components with desired functionalities.
Oxygen Mass Transfer in Biopharmaceutical Processes: Numerical and Experimental Approaches
Authors: Seidel Stefan , Maschke Rüdiger W. , Werner Sören , Jossen Valentin , Eibl Dieter 
Published: December 2020

AbstractOxygen supply in aerobic bioprocesses is of crucial importance. For this reason, this paper presents the oxygen demand of different cells and summarizes experimental and numerical possibilities for the determination of oxygen transfer in bioreactors. The focus lies on the volumetric oxygen mass transfer coefficient (kLa) calculation using computational fluid dynamics and state‐of‐the‐art models for surface‐aerated and forced‐aerated bioreactors. In addition, experimental methods for the determination of thekLavalue and the gas bubble size distribution are presented.
A Quick Route to Multiple Highly Potent SARS‐CoV‐2 Main Protease Inhibitors**
Authors: Yang Kai S. , Ma Xinyu R. , Ma Yuying , Alugubelli Yugendar R. , Scott Danielle A. , Vatansever Erol C. , Drelich Aleksandra K. , Sankaran Banumathi , Geng Zhi Z. , Blankenship Lauren R. , Ward Hannah E. , Sheng Yan J. , Hsu Jason C. , Kratch Kaci C. , Zhao Baoyu , Hayatshahi Hamed S. , Liu Jin , Li Pingwei , Fierke Carol A. , Tseng Chien‐Te K. , Xu Shiqing , Liu Wenshe Ray 
Published: December 2020

AbstractThe COVID‐19 pathogen, SARS‐CoV‐2, requires its main protease (SC2MPro) to digest two of its translated long polypeptides to form a number of mature proteins that are essential for viral replication and pathogenesis. Inhibition of this vital proteolytic process is effective in preventing the virus from replicating in infected cells and therefore provides a potential COVID‐19 treatment option. Guided by previous medicinal chemistry studies about SARS‐CoV‐1 main protease (SC1MPro), we have designed and synthesized a series of SC2MPro inhibitors that contain β‐(S‐2‐oxopyrrolidin‐3‐yl)‐alaninal (Opal) for the formation of a reversible covalent bond with the SC2MPro active‐site cysteine C145. All inhibitors display high potency with Ki values at or below 100 nM. The most potent compound, MPI3, has as a Ki value of 8.3 nM. Crystallographic analyses of SC2MPro bound to seven inhibitors indicated both formation of a covalent bond with C145 and structural rearrangement from the apoenzyme to accommodate the inhibitors. Virus inhibition assays revealed that several inhibitors have high potency in inhibiting the SARS‐CoV‐2‐induced cytopathogenic effect in both Vero E6 and A549/ACE2 cells. Two inhibitors, MPI5 and MPI8, completely prevented the SARS‐CoV‐2‐induced cytopathogenic effect in Vero E6 cells at 2.5–5 μM and A549/ACE2 cells at 0.16–0.31 μM. Their virus inhibition potency is much higher than that of some existing molecules that are under preclinical and clinical investigations for the treatment of COVID‐19. Our study indicates that there is a large chemical space that needs to be explored for the development of SC2MPro inhibitors with ultra‐high antiviral potency.
The impact of peritoneal lavage cytology in biliary tract cancer (KHBO1701): Kansai Hepato‐Biliary Oncology Group
Authors: Matsukuma Satoshi , Nagano Hiroaki , Kobayashi Shogo , Wada Hiroshi , Seo Satoru , Tsugawa Daisuke , Okuyama Hiroyuki , Iida Kenjiro , Ohmura Yoshiaki , Takeda Yutaka , Miyamoto Atsushi , Nakashima Shinsuke , Yamada Terumasa , Ajiki Tetsuo , Tsuji Akihito , Yoshimura Kenichi , Eguchi Hidetoshi , Hatano Etsuro , Ioka Tatsuya ,   Kansai Hepato‐Biliary Oncology (KHBO) Group
Published: December 2020

AbstractBackgroundOnly few studies in literature have analyzed the clinical effects of peritoneal lavage status in biliary tract cancers.AimWe aimed to assess the effect of cytology‐positive peritoneal lavage on survival for patients with biliary tract cancer who underwent curative resection.MethodsThe KHBO1701 study was a multi‐institutional retrospective study that assessed the clinical effects of peritoneal lavage cytology in biliary tract cancers. Using clinicopathological data from 11 Japanese institutions, we compared long‐term outcomes between patients with cytology‐positive and cytology‐negative peritoneal lavage.ResultsOf 169 patients who underwent curative resection, 164 were cytology‐negative, and five were cytology‐positive. The incidence of portal invasion and preoperative carbohydrate antigen 19‐9 levels were higher in the cytology‐positive group than in the cytology‐negative group. The incidence of peritoneal metastatic recurrence was also higher, and overall survival tended to be worse in the cytology‐positive group. In contrast, recurrence‐free survival was similar between the cytology‐negative and cytology‐positive groups.ConclusionsThe positive status of peritoneal lavage cytology could moderately affect the survival of patients with biliary tract cancers. Given that surgical resection is the only curative treatment option, it may be acceptable to resect biliary tract cancers without other non‐curative factors, regardless of peritoneal lavage cytology status.
Metalation of 2HTCNPP on Ag(111) with Zn: Evidence for the Sitting atop Complex at Room Temperature
Authors: Kuliga Jan , de Campos Ferreirra Rodrigo Cezar , Adhikari Rajan , Massicot Stephen , Lepper Michael , Hölzel Helen , Jux Norbert , Marbach Hubertus , de Siervo Abner , Steinrück Hans‐Peter 
Published: December 2020

AbstractWe study the interaction and metalation reaction of a free base 5,10,15,20‐terakis(4‐cyanophenyl)porphyrin (2HTCNPP) with post‐deposited Zn atoms and the targeted reaction product Zn‐5,10,15,20‐terakis(4‐cyanophenyl)porphyrin (ZnTCNPP) on a Ag(111) surface. The investigations are performed with scanning tunneling microscopy at room temperature after Zn deposition and subsequent heating. The goal is to obtain further insights in the metalation reaction and the influence of the cyanogroups on this reaction. The interaction of 2HTCNPP with post‐deposited Zn leads to the formation of three different 2D ordered island types that coexist on the surface. All contain a new species with a bright appearance, which increases with the amount of post‐deposited Zn. We attribute this to metastable SAT (“sitting atop”) complexes formed by Zn and the macrocycle, that is, an intermediate in the metalation reaction to ZnTCNPP, which occurs upon heating to 500 K. Interestingly, the activation barrier for the successive reaction of the SAT complex to the metalated ZnTCNPP species can also be overcome by a voltage pulse applied to the STM tip.
Vibrio parahaemolyticus: Basic Techniques for Growth, Genetic Manipulation, and Analysis of Virulence Factors
Authors: Chimalapati Suneeta , Lafrance Alexander E. , Chen Luming , Orth Kim 
Published: December 2020

AbstractVibrio parahaemolyticus is a Gram‐negative, halophilic bacterium and opportunistic pathogen of humans and shrimp. Investigating the mechanisms of V. parahaemolyticus infection and the multifarious virulence factors it employs requires procedures for bacterial culture, genetic manipulation, and analysis of virulence phenotypes. Detailed protocols for growth assessment, generation of mutants, and phenotype assessment are included in this article. © 2020 Wiley Periodicals LLC.Basic Protocol 1: Assessment of growth of V. parahaemolyticusAlternate Protocol 1: Assessment of growth of V. parahaemolyticus using a plate readerBasic Protocol 2: Swimming/swarming motility assayBasic Protocol 3: Genetic manipulationAlternate Protocol 2: Natural transformationBasic Protocol 4: Secretion assay and sample preparation for mass spectrometry analysisBasic Protocol 5: Invasion assay (gentamicin protection assay)Basic Protocol 6: Immunofluorescence detection of intracellular V. parahaemolyticusBasic Protocol 7: Cytotoxicity assay for T3SS2
Bioactive glass versus Arginine dentifrices on the reduction of dentin permeability and acid tolerance
Authors: Champaiboon Chantrakorn , Lertpimonchai Attawood , Lertpimonchai Kullanun 
Published: December 2020

AbstractObjectivesTo compare the efficacy of calcium sodium phosphosilicate (CSPS) and arginine dentifrices on dentin permeability and acid tolerance.Material and MethodsSixty dentin discs were randomly assigned into 3 groups, then brushed for 1 min with CSPS, arginine, or fluoride (control) dentifrices. To test acid tolerance, each disc was soaked in 6% citric acid for 1 min. Dentin permeability was measured before, following brushing, and acid challenge. Ten discs per group were similarly treated and evaluated for tubule occlusion following a single dentifrice application, while other five discs per group were employed in an acid tolerance assay.ResultsThe percentage reduction in dentin permeability was 39.26%, 32.27%, and 21.71% in the arginine, CSPS, and control groups, respectively. The differences in dentin permeability reduction between the arginine and CSPS groups following brushing and acid challenge were not significant (p = 0.398 and p = 0.211, respectively). The arginine dentifrice demonstrated a significant reduction in permeability compared with the control (p = 0.011). In addition, the occlusion exhibited by the arginine and CSPS dentifrices was more resistant to acid challenge compared with that of the control (p < 0.001). From SEM analysis, dentinal tubule occlusion was observed after a single application in all groups. Some open dentinal tubules were detected in the test groups, while almost all of the orifices were open in the fluoride group following acid challenge.ConclusionsThere is no significant difference between arginine and CSPS dentifrices in reducing dentin permeability following a single application and acid challenge. Following acid challenge, the reduced permeability generated by arginine and CSPS was more stable compared with the fluoride dentifrice.
Photosynthetic light response models for spring wheat mulching treatments in a northwestern China desert oasis
Authors: Song Dianxing , Ma Li , Wang Quanjiu 
Published: December 2020

AbstractIn the desert oasis areas of northwestern China, mulching treatments are an effective method for alleviating drought in agricultural production. Four mulching treatments of polyacrylamide (PAM), which is a water retention agent; plastic film; stones; straw; plus an unmulched control treatment were used in the field to explore their influence on soil water content (SWC), soil temperature, the net photosynthetic rate (Pn), leaf area index (LAI), and yield in spring wheat (Triticum aestivum L.). Six light response models were used to simulate the light response of wheat. A significant difference was found between straw and the control vs. the other mulching treatments in terms of grain yield and yield components of spring wheat (p < .05). Under the film treatment, the yield increased by 9.8–16.9% and the water use efficiency (WUE) increased by 20% in 2012 and 23% in 2013. Compared with PAM, stone, straw, and the control, the film mulch had the largest maximum photosynthesis and the largest rate of light adaptation. The nonrectangular hyperbolic had the smallest error and simulated the best photosynthetic light response. Compared with the control treatment, the soil temperatures were reduced by a mean of 8.5–11.3 °C and the average SWC increased by 5.5–3.2% under all mulching treatments. However, SWC had a greater effect on Pn than soil temperature during the growth season under the mulching treatments, which increased yield in this arid environment. Film mulching was the best mulching treatment for spring wheat in this desert oasis.