bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rhenium‐Catalyzed Arylation–Acyl Cyclization between Enol Lactones and Organomagnesium Halides: Facile Synthesis of Indenones
Authors: Hu Binjing , Cheng Xinyi , Hu Ying , Liu Xingchen , Karaghiosoff Konstantin , Li Jie 
Published: April 2021

AbstractA set of rhenium‐catalyzed arylation–acyl cyclizations between (hetero)arylmagnesium halides and enol lactones through a cascade C(sp2)−C(sp2)/C(sp2)−C(sp2) bond formation under mild reaction conditions has been developed. Indeed, a wide range of functional groups on both organomagnesium halides and enol lactones is well tolerated by the simple rhenium catalysis, thus furnishing polyfunctionalized indenones in one‐pot fashion and with complete control of the regioselectivity. Moreover, this approach also provides a straightforward synthetic route to neolignan and (iso)pauciflorol F. Mechanistic studies demonstrated that the reaction involves a sequence of syn‐carborhenation and intramolecular nucleophilic addition.
Multifunctional zinc phthalocyanine‐phenolic resin (ZnPc‐PFR)@MSN nanocomposite based fluorescent imaging, photothermal therapy, and pH‐sensitive drug release
Authors: Sun Xiangfei , Yang Ping , Wang Shaohua , Xing Honglong 
Published: April 2021

AbstractBecause of the good fluorescence of zinc phthalocyanine‐phenolic resin (ZnPc‐PFR) photosensitizer and large specific surface area of mesoporous silica nanoparticles (MSNs), a highly efficient nano‐drug carrier system, denoted as ZnPc‐PFR@MSN, was constructed for photothermal therapy (PTT) and pH‐sensitive drug delivery. The facile hydrothermal reaction was used to synthesize ZnPc‐PFR nanoparticles in one‐step. After loading the as‐synthesized ZnPc‐PFR nanoparticles into MSNs, and a good high drug‐loading rate (143.7 mg g−1) to the anticancer drug of Adriamycin (DOX) could be obtained. Thus, a novel nanosphere with the merits of good fluorescence, high drug‐loading rate (143.7 mg g−1), better sustained‐release properties, and photothermal properties (reached 43.23°C within 260 s) was prepared. The as‐synthesized multifunctional composites make it a good candidate in fluorescence imaging, PTT, and drug delivery.
Structure‐Activity Relationship for Di‐ up to Tetranuclear Macrocyclic Ruthenium Catalysts in Homogeneous Water Oxidation
Authors: Schindler Dorothee , Meza‐Chincha Ana‐Lucia , Roth Maximilian , Würthner Frank 
Published: April 2021

AbstractTwo di‐ and tetranuclear Ru(bda) (bda: 2,2′‐bipyridine‐6,6′‐dicarboxylate) macrocyclic complexes were synthesized and their catalytic activities in chemical and photochemical water oxidation investigated in a comparative manner to our previously reported trinuclear congener. Our studies have shown that the catalytic activities of this homologous series of multinuclear Ru(bda) macrocycles in homogeneous water oxidation are dependent on their size, exhibiting highest efficiencies for the largest tetranuclear catalyst. The turnover frequencies (TOFs) have increased from di‐ to tetranuclear macrocycles not only per catalyst molecule but more importantly also per Ru unit with TOF of 6 s−1 to 8.7 s−1 and 10.5 s−1 in chemical and 0.6 s−1 to 3.3 s−1 and 5.8 s−1 in photochemical water oxidation per Ru unit, respectively. Thus, for the first time, a clear structure–activity relationship could be established for this novel class of macrocyclic water oxidation catalysts.
Experimental and Computational Models for Side Chain Discrimination in Peptide–Protein Interactions
Authors: Lidskog Anna , Dawaigher Sami , Solano Arribas Carlos , Ryberg Anna , Jensen Jacob , Bergquist Karl Erik , Sundin Anders , Norrby Per‐Ola , Wärnmark Kenneth 
Published: April 2021

AbstractA bis(18‐crown‐6) Tröger's base receptor and 4‐substituted hepta‐1,7‐diyl bisammonium salt ligands have been used as a model system to study the interactions between non‐polar side chains of peptides and an aromatic cavity of a protein. NMR titrations and NOESY/ROESY NMR spectroscopy were used to analyze the discrimination of the ligands by the receptor based on the substituent of the ligand, both quantitatively (free binding energies) and qualitatively (conformations). The analysis showed that an all‐anti conformation of the heptane chain was preferred for most of the ligands, both free and when bound to the receptor, and that for all of the receptor‐ligand complexes, the substituent was located inside or partly inside of the aromatic cavity of the receptor. We estimated the free binding energy of a methyl‐ and a phenyl group to an aromatic cavity, via CH‐π, and combined aromatic CH‐π and π‐π interactions to be −1.7 and −3.3 kJ mol−1, respectively. The experimental results were used to assess the accuracy of different computational methods, including molecular mechanics (MM) and density functional theory (DFT) methods, showing that MM was superior.
Structural, Magnetic and Catalytic Properties of a New Vacancy Ordered Perovskite Type Barium Cobaltate BaCoO2.67
Authors: Iqbal Waidha Aamir , Khatoon Siddiqui Humera , Ikeda Yuji , Lepple Maren , Vasala Sami , Donzelli Manuel , Fortes A. D. , Slater Peter , Grabowski Blazej , Kramm Ulrike I. , Clemens Oliver 
Published: April 2021

AbstractA new vacancy ordered, anion deficient perovskite modification with composition of BaCoO2.67 (Ba3Co3O8□1) has been prepared via a two‐step heating process. Combined Rietveld analysis of neutron and X‐ray powder diffraction data shows a novel ordering of oxygen vacancies not known before for barium cobaltates. A combination of neutron powder diffraction, magnetic measurements, and density functional theory (DFT) studies confirms G‐type antiferromagnetic ordering. From impedance measurements, the electronic conductivity of the order of 10−4 S cm−1 is determined. Remarkably, the bifunctional catalytic activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is found to be comparable to that of Ba0.5Sr0.5Co0.8Fe0.2O3–y, confirming that charge‐ordered anion deficient non‐cubic perovskites can be highly efficient catalysts.
Evaluation of the color measurement based on a microscopic hyperspectral imaging system
Authors: Qiu Kebin , Chen Weiguo , Zhou Hua , Wang Chenglong , Cui Zhihua 
Published: April 2021

AbstractIn order to make a color assessment for micron‐grade materials such as a single fiber, a non‐destructive and push‐broom microscopic hyperspectral imaging system (MHIS) was set up consisting of a stereomicroscope, an imaging spectrograph, and a digital detector. The performance of this system for acquiring accurate and repeatable information, such as spectral and colorimetric values, was investigated. The experimental results show that the system has an excellent spatial resolution, repeatability, and accuracy. The spatial resolution with a ×1.5 auxiliary objective lens was down to 90.244 lp mm−1 (5.54 μm). The average ΔE00 of the tested patches in the ColorChecker Mini chart was between 0.15 and 0.40, and the color measurement repeatability was acceptable. Color difference ΔE00 and the standard variation of spectral wavelength between ×2.5 and ×4.5 magnification were larger than those at lower magnifications. It can be concluded that the MHIS can identify colorimetric values of the materials and detect the color changes sensitively with a high spatial resolution at micron‐grade.
HCMonitor: An accurate measurement system for high concurrent network services
Authors: Song Hui , Zhang Wenli , Liu Ke , Shen Yifan , Chen Mingyu 
Published: April 2021

AbstractThis article aims to enhance the monitoring accuracy of high concurrent network services. As modern network services grow rapidly in data centers, tail latency has become one of the most crucial deciding factors on user experience. Latency measurement and anomaly detection are essential in evaluating service performance. Existing monitoring tools can be divided into two categories according to estimation methods. First, approaches based on sample traffic sample network packets to unburden the measurement. Second, approaches based on full traffic like wrk, analyze all of the packets from the kernel network stack and load the client‐side overhead into response delay. Therefore, we propose a high‐performance monitor system named HCMonitor, which computes the server‐side response latency and the round‐trip time of per‐request. It can afford full traffic monitoring on the basis of userspace, “zero copy” and pipeline. By switch mirroring, the measured latency eliminates the kernel network stack overhead and the queuing delay of the client‐side. Such measurement results in improved accuracy, online analysis, anomaly detection, real‐time display and transparent to network services. Our evaluations show HCMonitor obtains a higher throughput compared with tcpdump by over 200 times. Compared with wrk, the tail latency accuracy shows an increase by up to 72%–76% in high concurrent networks.
Synthesis and Characterisation of Transition Metal Complexes of a Novel 1,5‐benzodiazepine‐Functionalised Tertiary Phosphine
Authors: Durran Sean E. , Elsegood Mark R. J. , Noble Thomas A. , Smith Martin B. , Gelbrich Thomas , Hursthouse Michael B. , Light Mark E. 
Published: April 2021

AbstractThe one‐step synthesis (44 % isolated yield) of the 1,5‐benzodiazapine functionalised phosphine 1, C31H31N2OP, is reported. Bridge cleavage of {MCl(μ‐Cl)(η5‐Cp*)}2 (M=Ir, Rh) with 2 equiv. of 1 in CH2Cl2 gave the mononuclear compounds [MCl2(η5‐Cp*)(P‐1)] (M=Ir, 2 a; M=Rh, 2 b) in which 1 functions as a P‐monodentate ligand. Rapid C(sp3)−H bond activation, at room temperature, is observed for 2 a leading to the unusual cyclometallated complex [Ir(η5‐Cp*)(P,N,C‐1)]Cl2 3 (or 3‘) bearing an anionic P/Namine/C‐terdentate ligand. Reaction of [Pt(CH3)Cl(η4‐cod)] with one equiv. of 1 led to [Pt(CH3)Cl(P,N‐1)] 4, suggesting that 3 may form via an intermediate IrIII cationic species in which the ligand is P,N‐bound. The IrI complex [IrCl(η4‐cod)(P‐1)] 5 does not, under similar conditions, show any evidence for C−H activation. Single crystal X‐ray studies on 1, 2 a, 2 b, 3, 3‘, 4, and 5 reveal intramolecular N ⋅⋅⋅ H−O H‐bonding in all cases.
Chemical and morphological changes of femtosecond laser‐irradiated enamel using subablative parameters
Authors: Casarin Heitor Hussni , Mattos Vicente Silva , de Castro Neto Jarbas Caiado , Chinelatti Michelle Alexandra 
Published: April 2021

AbstractChemical composition of dental enamel has a great relationship with the prevention of caries. The objective of the present work was to evaluate the chemical and morphological changes of femtosecond laser‐irradiated enamel with subablative parameters using Raman spectroscopy, confocal laser scanning microscopy (CLSM), and scanning electron microscopy (SEM). Bovine incisor teeth were used to obtain 30 enamel specimens (5 × 5 mm2). The chemical composition of the control sample was analyzed by Raman spectrometry to acquire the absorption spectrum, delimiting the areas under the carbonate and phosphate bands. This analysis was used to evaluate the change in the chemical composition of the sample after irradiation. The specimens were irradiated (IRR) with a Ti:Sapphire laser system (pulsed and focused modes, femtosecond regime 70 fs, average power of 1 W and exposure time of 15 s). After irradiation, the areas under the carbonate and phosphate absorption bands were delimited in each specimen. Raman spectrometry data were analyzed using Student's t‐test (α = 5%). By comparing the spectra of the IRR and non‐irradiated (NI) specimens, the results showed a significant increase in the area value for the phosphate peaks and a significant reduction in the area value for the carbonate peak and the carbonate:phosphate ratio. CLSM and SEM analyses did not reveal structural alterations in the subsurface nor morphological alterations in the IRR enamel surface, respectively. It was concluded that femtosecond laser irradiation using subablative parameters reduced the carbonate content and the carbonate/phosphate ratio without altering the structure and morphology of the dental enamel.
Selectivity and efficiency of electromembrane extraction of polar bases with different liquid membranes—Link to analyte properties
Authors: Hansen Frederik André , Tirandaz Shima , Pedersen‐Bjergaard Stig 
Published: April 2021

AbstractIn the present fundamental study, selectivity and efficiency of electromembrane extraction of 50 polar basic substances (−6.7 < log P < +1.0) was systematically studied for ten different supported liquid membranes. For each model substance, 23 molecular descriptors were collected and these were investigated as potential parameters for understanding of extraction efficiency and selectivity by means of partial least squares regression. Overall, a highly aromatic deep eutectic solvent composed of coumarin and thymol with addition of 2% ionic carrier (di(2‐ethylhexyl) phosphate) provided the highest extraction efficiency with an average extraction yield of 69% from pure water samples, 55% from plasma, and 62% from urine. With this solvent system, ionic, cation‐π, and π‐π interactions between the supported liquid membrane and analytes were dominant. Supported liquid membranes without aromaticity, however, operated primarily based on hydrogen‐bonding interactions. This is the first time the relationship between analyte properties, solvent composition, and extraction yield has systematically been studied for polar bases in electromembrane extraction. This new knowledge represents a first step toward enabling future development and optimization of electromembrane extraction systems for polar bases based on rational design, rather than trial‐and‐error approaches.
More about divisibility in βN
Authors: Šobot Boris 
Published: April 2021

AbstractWe continue the research of an extension of the divisibility relation to the Stone‐Čech compactification . First we prove that ultrafilters we call prime actually possess the algebraic property of primality. Several questions concerning the connection between divisibilities in and nonstandard extensions of are answered, providing a few more equivalent conditions for divisibility in . Results on uncountable chains in are proved and used in a construction of a well‐ordered chain of maximal cardinality. Probably the most interesting result is the existence of a chain of type in . Finally, we consider ultrafilters without divisors in and among them find the greatest class.
Two‐weight Tb theorems for well‐localized operators
Authors: Bickel Kelly , Korhonen Taneli , Wick Brett D. 
Published: April 2021

AbstractThis paper first defines operators that are “well‐localized” with respect to a pair of accretive functions and establishes a global two‐weight theorem for such operators. Then it defines operators that are “well‐localized” with respect to a pair of accretive systems and establishes a local two‐weight theorem for them. The proofs combine recent proof techniques with arguments used to prove earlier T1 theorems for well‐localized operators.
Mechanistic insights into the autocatalyzed rearrangement of 2‐bromooxazolines to 2‐bromoisocyanates by means of high‐level quantum chemical methods
Authors: Baroudi Abdulkader , Karton Amir 
Published: April 2021

AbstractA mechanism for the thermal instability and selective rearrangement of 2‐bromooxazolines is proposed and examined using the highly accurate G4(MP2) thermochemical protocol. We propose this rearrangement to be autocatalyzed by bromide ions that are initially formed via a bimolecular reaction between two 2‐bromooxazoline molecules. We find this step to be rate determining, and it results in a consequent and more favorable propagative reaction of bromide ions with the starting material (2‐bromooxazoline). The proposed mechanism sheds light on experimental observations and provides a coherent explanation for 2‐bromooxazolines thermal instability. We proceed to rationalize the high barrier of the rate‐determining step via comparison with experimentally known pathways.
Field specific monitoring of cereal yellow dwarf virus aphid vectors and factors influencing their immigration within fields
Authors: Holland John M , McHugh Niamh M , Salinari Francesca 
Published: April 2021

AbstractBACKGROUNDNeonicotinoid insecticide seed treatments were withdrawn from use on cereal crops in the European Union (EU) in 2018 exposing the crops to yellow dwarf viruses transmitted by cereal aphids. To reduce prophylactic pyrethroid sprays there is a need for easier, field‐specific monitoring techniques given that pest incidence is spatially and temporally highly sporadic.A field‐specific monitoring method based on the use of yellow sticky traps mounted horizontally just above the crop was developed and evaluated to determine: (i) predictive capabilities of the sticky trap system, (ii) practicalities of use by farmers and agronomists, and (iii) whether landscape composition, boundary type and type of tillage affect immigration of aphid vectors.RESULTSYellow sticky traps effectively sampled winged cereal aphids and identified spatial differences in immigration patterns within‐ and between fields. Farmers and agronomist's aphid identification skills need improving, although they could detect aphid trends with minimal training. At least three times more cereal aphids were captured in crop headlands, especially next to taller field boundaries indicating that wind currents determined aphid immigration patterns within fields. Considerable between field aphid immigration was detected (24% of fields had no aphid immigration) even on the same farm. Levels of immigrating grain aphids were positively related to the proportion of grassland in the landscape. Tillage type had no impact on levels of immigrating aphids.CONCLUSIONField‐based monitoring and different management of headland areas could be used to reduce insecticide usage when controlling of cereal/barley yellow dwarf virus.
Pulmonary artery hypertension prior to the relapse of adult‐onset Still's disease
Authors: Hara Yuki , Morita Takayoshi , Tanaka Katsunao , Sera Fusako , Sakata Yasushi , Nishide Masayuki , Maeda Yuichi , Narazaki Masashi , Kumanogoh Atsushi 
Published: April 2021

AbstractAdult‐onset Still's disease (AOSD) is a rare inflammatory autoimmune disorder characterized by fever, skin rash, and arthralgia. Pulmonary artery hypertension (PAH) rarely occurs with AOSD and has not been reported in the absence of typical symptoms of AOSD. A 33‐year‐old woman was admitted to our hospital with dyspnoea on exertion. Although she had not had symptoms of AOSD for 18 months before her admission, she presented with gradually progressing PAH. Because she had no typical symptoms of AOSD, she was treated with pulmonary vasodilators. However, her PAH did not improve. At one month after vasodilator treatment, she developed a high fever with elevation of ferritin. We determined that her AOSD had relapsed. Immunosuppressants were started and both her AOSD and PAH quickly improved. PAH may develop in the absence of typical symptoms of AOSD and immunosuppressants may be effective in such a case.
An In Situ Artificial Cathode Electrolyte Interphase Strategy for Suppressing Cathode Dissolution in Aqueous Zinc Ion Batteries
Authors: Zhang Lishang , Zhang Bao , Hu Jisong , Liu Jia , Miao Ling , Jiang Jianjun 
Published: April 2021

AbstractRechargeable aqueous zinc ion batteries have attracted increasing attention as a new energy storage system because of the high ionic conductivity and safe aqueous electrolyte. The spontaneous vanadium dissolution in aqueous electrolytes is one major problem because the water with serious polarity would corrode the crystal structure of vanadium‐based cathodes. Here, an in situ artificial cathode electrolyte interphase (CEI) strategy is proposed to kinetically suppress the vanadium dissolution in aqueous zinc ion batteries. The strontium ion is introduced into vanadium oxide layers as a sacrifice guest, which would directly precipitate upon getting out from the vanadium‐based cathode to in situ from a CEI coating layer on the surface. This strategy is proven with the help of various technologies, and the remarkable ability of the CEI layer to suppress cathode dissolution is evaluated by multiple electrochemical and chemical methods. As a result, the cathode after CEI conversion exhibits the best recharge capacity retention after open circuit voltage rest for 3 days in comparison with other cathodes. This work reports a general strategy to construct the electrode‐electrolyte interface for suppressing vanadium‐based cathodes dissolution in aqueous electrolytes and beyond.
Die Fassade des Axel‐Springer‐Neubaus in Berlin
Authors: Hein Carsten , Dercks Christian 
Published: April 2021

AbstractDer Medienkonzern Axel Springer zählt zu den größten Verlagshäusern in Europa. Das Unternehmen hat den mit der Digitalisierung verbundenen tiefgreifenden Wandel der Medien zum Anlass für eine Neuorientierung genommen. Ein ikonischer Neubau mit rund 52 000 m2 Nutzfläche wurde als physisches Symbol dieser Erneuerung in unmittelbarer Nähe des Axel‐Springer‐Hochhauses und der Axel‐Springer‐Passage in Berlin errichtet. Er bietet Raum für bis zu 3 500 Mitarbeiter. Das lichtdurchflutete Mediencenter wurde vom Architekturbüro Office for Metropolitan Architecture (OMA) entworfen. Architektonisches Highlight des 13‐geschossigen Gebäudes ist das 45 m hohe gläserne Atrium. Darin befinden sich zahlreiche miteinander verbundene Terrassen, die den Eindruck vermitteln zu schweben. Hier sollen sich Journalisten und Medienmacher gegenübersitzen. Das Atrium durchzieht das gesamte Gebäude wie ein Tal, dadurch entstehen zwei Gebäudeteile, die stets visuell miteinander verbunden und von allen Seiten einsehbar sind.
LINC00473 downregulation facilitates trophoblast cell migration and invasion via the miR‐15a‐5p/LITAF axis in pre‐eclampsia
Authors: Chi Zhenjing , Gao Qiong , Sun Yanlan , Zhou Fenmei , Wang Hairong , Shu Xiaoming , Zhang Muling 
Published: April 2021

AbstractMore and more evidence has identified that long non‐coding RNAs (lncRNAs) are involved in various biological process of numerous diseases. It has been reported that long intergenic non‐protein coding RNA 473 (LINC00473) was associated with pre‐eclampsia (PE) development. However, role and molecular mechanism of LINC00473 in PE remains elusive. Therefore, we designed this research to figure out the specific biological function of LINC00473 in trophoblasts. Firstly, we testified expressions of LINC00473 in trophoblasts of PE with RT‐qPCR analysis. Then, to probe biological function of LINC00473 in trophoblasts of PE, CCK‐8 assay, trans‐well assays and western blot analysis were conducted in Wish and JAR cells. As for verifying interaction of microRNA‐15a‐5p (miR‐15a‐5p) and LINC00473 or lipopolysaccharide induced TNF factor (LITAF), RNA pull‐down and luciferase reporter assays were carried out. Finally, rescue experiments were conducted to probe regulatory pattern of the LINC00473/miR‐15a‐5p/LITAF axis in trophoblasts of PE. As a result, LINC00473 presented a significant upregulation in trophoblasts of PE. Moreover, LINC00473 knockdown induced trophoblast viability, migration, invasion, and epithelial‐to‐mesenchymal transition (EMT) in trophoblasts. Additionally, miR‐15a‐5p interacted with LINC00473 and miR‐15a‐5p was negatively regulated by LINC00473 in trophoblasts. Simultaneously, miR‐15a‐5p negatively modulated LITAF in trophoblasts. Moreover, LITAF overexpression or miR‐15a‐5p downregulation reversed the promotive impact of silenced LINC00473 on trophoblast viability, migration, invasion and EMT. In conclusion, LINC00473 regulated migration and invasion in trophoblasts via the miR‐15a‐5p/LITAF axis. Our study may provide a novel insight for clinical treatment of PE.