bluuebunny/crossref_metadata_2025_split huggingface dataset:
Highly efficient adsorption of Naphthol Green B and Phenol Red dye by Combination of Ultrasound wave and Copper‐Doped Zinc Sulfide Nanoparticles Loaded on Pistachio‐Nut Shell
Authors: Masoudian Navid , Rajabi Maryam , Ghaedi Mehrorang , Asghari Alireza 
Published: May 2018

The simultaneous and competitive ultrasound‐assisted removal of naphthol green B (NG‐B) and phenol red (PH‐R) dye from aqueous solutions were rapidly performed onto copper‐doped zinc sulfide nanoparticles loaded on pistachio‐nut shell activated carbon (Zn‐S: Cu‐NPs‐PAC). Novel adsorbent was recognized by FT‐IR, EDX, SEM and particle size distribution techniques. First, the effect of pH on the removal efficiency was optimized by one‐at‐a‐time procedure and subsequently dependency of dyes removal in their binary situation to variables such as sonication time, initial dyes concentrations and adsorbent dosage was fully investigated and optimized by central composite design (CCD) under response surface methodology (RSM) as well as by regarding desirability function (DF). The good agreement between experimental and predicted values supports suitability of the present model for well definition adsorption state. The ultrasound strongly enhanced mass transfer and performance, while 0.035 g of adsorbent is sufficient and capable to remove high percentage (>99.0%) of dyes in the rapid time (6 min). The experimental equilibrium data represented by Langmuir at mild conditions for successful removal of high adsorption capacity in binary system (196 mg g−1 for PH‐R, 76 mg g−1 for NG‐ B). Kinetics evaluation of experiments at various time intervals reveals applicability of pseudo‐second‐ order models for description of adsorption processes.
Synthesis of the Dy: SrMoO4 with High Photocatalytic Activity under Visible Light Irradiation
Authors: Yao Zi‐Feng , Zheng Gan‐Hong , Dai Zhen‐Xiang , Zhang Ling‐Yun 
Published: May 2018

Dysprosium (Dy)‐doping SrMoO4 (with different molar ratio of Dy/Sr = 0/100, 10/100, 15/100 and 20/100) have been synthesized by high temperature thermal decomposition of metal–organic salt in organic solvent with a high boiling point. Their structures, morphology, and optical properties were characterized by X‐ray diffraction (XRD), high‐resolution tuning electron microscopy ((HR)TEM), X‐ray photo‐electron spectroscopy (XPS), and UV–vis diffuse reflectance spectroscopy (UV–vis DRS). Using this method, the pure phase, nano‐size, and low band gap of SrMoO4 sample are obtained. The results shows that the size of as‐synthesized SrMoO4 nanoparticles was about 200 nm. The band gap of Dy‐doped SrMoO4 ranges from 3.76–3.90 eV, and decreases with increasing Dy concentration. The photocatalytic performance of as‐syntheszied products were determined from the degradation of methylene blue (MB) by UV–vis light irradiation. The 15 mol%Dy‐doped SrMoO4 sample shows the best performance for photocatalytic degradation of methyl blue of nearly 100% in 120 min under visible irradiation, which is higher than most of those reported before. The present work is meaningful for revealing the underlying mechanism in photocatalyst and improving the photocatalytic performance.
X‐ray structures, spectroscopic, electrochemical, thermal, antibacterial, and DFT studies of two nickel(II) and cobalt(III) complexes constructed from a new quinazoline‐type ligand
Authors: Chai Lan‐Qin , Hu Qi , Zhang Kong‐Yan , Chen Li‐Chuan , Li Yao‐Xin , Zhang Hong‐Song 
Published: May 2018

Two two‐dimensional supramolecular Nickel(II) and Cobalt(III) complexes, [Ni(L2)2]·2CH3OH (1) and [2Co(L2)2] (2) (HL2 = 1‐(2‐{[(E)‐3‐bromo‐5‐chloro‐2‐hydroxybenzylidene]amino}phenyl)ethanone oxime), were synthesized via complexation of salts acetate with HL1 (2‐(3‐bromo‐5‐chloro‐2‐hydroxyphenyl)‐4‐methyl‐1,2‐dihydroquinazoline 3‐oxide, H is the deprotonatable hydrogen). During the reaction, the C–N bond in HL1 is converted into the C=N–OH group in HL2. The spectroscopic data of both complexes were compared with the ligand HL1. HL1 and both complexes were determined by single‐crystal X‐ray crystallography. The differently geometric features of the obtained complexes 1 and 2 are observed. In the crystal structure, 1 and 2 form an infinite 1‐D chain‐like and 2‐D supramolecular frameworks. EPR spectroscopy of 2 was investigated. Moreover, electrochemical properties and antimicrobial activities of both complexes were also studied. In addition, the calculated HOMO and LUMO energies show the character of HL1, complexes 1 and 2. The electronic transitions and spectral features of HL1 and both complexes were discussed by TD‐DFT calculations.
Lanthanide(III) (Eu, Gd, Tb, Dy) Complexes Derived from 4‐(Pyridin‐2‐yl)methyleneamino‐1,2,4‐triazole: Crystal Structure, Magnetic Properties, and Photoluminescence
Authors: Bazhina Evgeniya S. , Bovkunova Anna A. , Medved'ko Alexey V. , Varaksina Evgeniya A. , Taidakov Ilya V. , Efimov Nikolay N. , Kiskin Mikhail A. , Eremenko Igor L. 
Published: May 2018

AbstractThe reaction of lanthanide(III) nitrates with 4‐(pyridin‐2‐yl)methyleneamino‐1,2,4‐triazole (L) was studied. The compounds [Ln(NO3)3(H2O)3]⋅2 L, in which Ln=Eu (1), Gd (2), Tb (3), or Dy (4), obtained in a mixture of MeCN/EtOH have the same structure, as shown by XRD. In the crystals of these compounds, the mononuclear complex units [Ln(NO3)3(H2O)3] are linked to L molecules through intermolecular hydrogen‐bonding interactions to form a 2D polymeric supramolecular architecture. An investigation into the optical characteristics of the Eu3+‐, Tb3+‐, and Dy3+‐containing compounds (1, 3, and 4) showed that these complexes displayed metal‐centered luminescence. According to magnetic measurements, compound 4 exhibits single‐ion magnet behavior, with ΔEeff/kB=86 K in a field of 1500 Oe.
Metabolic alterations in triptolide‐induced acute hepatotoxicity
Authors: Zhao Jie , Xie Cen , Mu Xiyan , Krausz Kristopher W. , Patel Daxesh P. , Shi Xiaowei , Gao Xiaoxia , Wang Qiao , Gonzalez Frank J. 
Published: May 2018

AbstractTriptolide, a major active constitute of Tripterygium wilfordii Hook. F, is prescribed for the treatment of autoimmune diseases in China. One of its most severe adverse effects observed in the clinical use is hepatotoxicity, but the mechanism is still unknown. Therefore, the present study applied an LC/MS‐based metabolomic analysis to characterize the metabolomic changes in serum and liver induced by triptolide in mice. Mice were administered triptolide by gavage to establish the acute liver injury model, and serum biochemical and liver histological analyses were applied to assess the degree of toxicity. Multivariate data analyses were performed to investigate the metabolic alterations. Potential metabolites were identified using variable importance in the projection values and Student's t‐test. A total of 30 metabolites were observed that were significantly changed by triptolide treatment and the abundance of 29 metabolites was correlated with the severity of toxicity. Pathway analysis indicated that the mechanism of triptolide‐induced hepatotoxicity was related to alterations in multiple metabolic pathways, including glutathione metabolism, tricarboxylic acid cycle, purine metabolism, glycerophospholipid metabolism, taurine and hypotaurine metabolism, pantothenate and CoA biosynthesis, pyrimidine metabolism and amino acid metabolism. The current study provides new mechanistic insights into the metabolic alterations that lead to triptolide‐induced hepatotoxicity.
Simultaneous determination of tapentadol and its carbamate prodrug in rat plasma by UPLC‐MS/MS and its application to a pharmacokinetic study
Authors: Liu Cuiru , Li Yingchao , Yang Rujie , Zhang Shuqi , Zhao Longshan , Zhang Tianhong 
Published: May 2018

AbstractA prodrug of tapentadol, namely tapentadol carbamate (WWJ01), was synthesized to improve the bioavailability of tapentadol owing to its extensive first‐pass metabolism. In this study, a highly rapid and sensitive UPLC‐MS/MS method was developed and validated for the simultaneous determination of tapentadol and WWJ01 in rat plasma with fluconazole as an internal standard. The analytes and internal standard were treated by methanol and then separated on a Phenomenex Kinetex® XB‐C18 (2.1 × 50 mm × 2.6 μm) column at a flow rate of 0.3 mL/min. The mobile phase comprised methanol and water with a gradient elution. The mass transition ion‐pairs were m/z 222.2 → 107.0, m/z 293.2 → 71.9 and m/z 307.1 → 220.0 for tapentadol, WWJ01 and IS, respectively. Excellent linearity was observed over the concentration range of 2–1250 ng/mL (r = 0.995) with a lower limit of quantification of 2 ng/mL for both tapentadol and WWJ01. The intra‐ and inter‐day accuracy and precision for all quality control samples were within ±15%. The validated method was accurate, rapid and reproducible, and was successfully applied to a pharmacokinetic study of tapentadol and WWJ01.
Rolapitant for the prevention of nausea in patients receiving highly or moderately emetogenic chemotherapy
Authors: Navari Rudolph M. , Rapoport Bernardo L. , Powers Dan , Arora Sujata , Clark‐Snow Rebecca 
Published: May 2018

AbstractMost patients receiving highly or moderately emetogenic chemotherapy experience chemotherapy‐induced nausea and vomiting without antiemetic prophylaxis. While neurokinin‐1 receptor antagonists (NK‐1RAs) effectively prevent emesis, their ability to prevent nausea has not been established. We evaluated the efficacy of the long‐acting NK‐1RA rolapitant in preventing chemotherapy‐induced nausea using post hoc analyses of data from 3 phase 3 trials. Patients were randomized to receive 180 mg oral rolapitant or placebo approximately 1‐2 hours before chemotherapy in combination with a 5‐hydroxytryptamine type 3 RA and dexamethasone. Nausea was assessed by visual analog scale during the acute (≤24 hours), delayed (>24‐120 hours), and overall (0‐120 hours) phases. Post hoc analyses by treatment group (rolapitant vs control) were performed on pooled data within patient subgroups receiving cisplatin‐based, carboplatin‐based, or anthracycline/cyclophosphamide (AC)‐based chemotherapy. In the cisplatin‐based chemotherapy group, significantly more patients receiving rolapitant than control reported no nausea (NN) in the overall (52.3% vs 41.7% [P < .001]; absolute benefit [AB] = 10.6%), delayed (55.7% vs 44.3% [P < .001]; AB = 11.4%), and acute (70.5% vs 64.3% [P = .030]; AB = 6.2%) phases. Similar results were observed in the carboplatin‐based chemotherapy group, with significantly more patients receiving rolapitant than control reporting NN in the overall (62.5% vs 51.2% [P = .023]; AB = 11.3%) and delayed (64.1% vs 53.6% [P = .034]; AB = 10.5%) phases. In the AC‐based chemotherapy group, patients receiving rolapitant or control reported similar NN rates during the overall and delayed phases. Rolapitant effectively prevents nausea during the overall and delayed phases in patients receiving cisplatin‐ or carboplatin‐based chemotherapy.
New Insights into the Glycosylation Steps in the Biosynthesis of Sch47554 and Sch47555
Authors: Fidan Ozkan , Yan Riming , Gladstone Gabrielle , Zhou Tong , Zhu Du , Zhan Jixun 
Published: May 2018

AbstractSch47554 and Sch47555 are antifungal compounds fromStreptomycessp. SCC‐2136. The availability of the biosynthetic gene cluster made it possible to track genes that encode biosynthetic enzymes responsible for the structural features of these two angucyclines. Sugar moieties play important roles in the biological activities of many natural products. An investigation into glycosyltransferases (GTs) might potentially help to diversify pharmaceutically significant drugs through combinatorial biosynthesis. Sequence analysis indicates that SchS7 is a putative C‐GT, whereas SchS9 and SchS10 are proposed to be O‐GTs. In this study, the roles of these three GTs in the biosynthesis of Sch47554 and Sch47555 are characterized. Coexpression of the aglycone and sugar biosynthetic genes withschS7inStreptomyces lividansK4 resulted in the production of C‐glycosylated rabelomycin, which revealed that SchS7 attached ad‐amicetose moiety to the aglycone core structure at the C‐9 position. Gene inactivation studies revealed that subsequent glycosylation steps took place in a sequential manner, in which SchS9 first attached either anl‐aculose orl‐amicetose moiety to 4′‐OH of the C‐glycosylated aglycone, then SchS10 transferred anl‐aculose moiety to 3‐OH of the angucycline core.
Peptide Nucleic Acid Conjugated with Ruthenium‐Complex Stabilizing Double‐Duplex Invasion Complex Even under Physiological Conditions
Authors: Hibino Masaki , Aiba Yuichiro , Watanabe Yoshihito , Shoji Osami 
Published: May 2018

AbstractPeptide nucleic acid (PNA) can form a stable duplex with DNA, and, accordingly, directly recognize double‐stranded DNA through the formation of a double‐duplex invasion complex, wherein a pair of complementary PNA strands form two PNA/DNA duplexes. Because invasion does not require prior denaturation of DNA, PNA holds great potential for in cellulo or in vivo applications. To broaden the applicability of PNA invasion, we developed a new conjugate of PNA with a ruthenium complex. This Ru–PNA conjugate exhibits higher DNA‐binding affinity, which results in enhanced invasion efficiency, even under physiological conditions.
Auroramycin: A Potent Antibiotic from Streptomyces roseosporus by CRISPR‐Cas9 Activation
Authors: Lim Yee Hwee , Wong Fong Tian , Yeo Wan Lin , Ching Kuan Chieh , Lim Yi Wee , Heng Elena , Chen Shuwen , Tsai De‐Juin , Lauderdale Tsai‐Ling , Shia Kak‐Shan , Ho Ying Swan , Hoon Shawn , Ang Ee Lui , Zhang Mingzi M. , Zhao Huimin 
Published: May 2018

AbstractSilent biosynthetic gene clusters represent a potentially rich source of new bioactive compounds. We report the discovery, characterization, and biosynthesis of a novel doubly glycosylated 24‐membered polyene macrolactam from a silent biosynthetic gene cluster in Streptomyces roseosporus by using the CRISPR‐Cas9 gene cluster activation strategy. Structural characterization of this polyketide, named auroramycin, revealed a rare isobutyrylmalonyl extender unit and a unique pair of amino sugars. Relative and absolute stereochemistry were determined by using a combination of spectroscopic analyses, chemical derivatization, and computational analysis. The activated gene cluster for auroramycin production was also verified by transcriptional analyses and gene deletions. Finally, auroramycin exhibited potent anti‐methicillin‐resistant Staphylococcus aureus (anti‐MRSA) activity towards clinical drug‐resistant isolates.
Enantioselective Total Synthesis of Blennolide H and Phomopsis‐H76 A and Determination of Their Structure
Authors: Valdomir Guillermo , Senthilkumar Soundararasu , Ganapathy Dhandapany , Zhang Yun , Tietze Lutz F. 
Published: May 2018

AbstractThis work reports on the enantioselective total synthesis of the two dimeric natural chromanone lactones phomopsis‐H76 A (5) and blennolide H (6). Both syntheses could be achieved from chromane 11, which was obtained by an enantioselective Wacker‐type cyclization with >99 % ee. The dimerization of the corresponding monomers was performed using a palladium‐catalyzed Suzuki reaction. Moreover, within this work it was possible to revise the absolute configuration of phomopsis‐H76 A and determine the relative as well as absolute configuration of blennolide H.
Acyl Radicals from Terminal Alkynes: Photoredox‐Catalyzed Acylation of Heteroarenes
Authors: Sultan Shaista , Rizvi Masood Ahmad , Kumar Jaswant , Shah Bhahwal Ali 
Published: May 2018

AbstractA photoredox‐mediated acylation reaction of electron deficient heteroarenes with terminal alkynes is reported. The method relies on oxidative cleavage of phenylacetylenes for generation of acyl radicals as a key enabling feature. The reaction is regioselective with broad substrate scope. Quantum yield investigations support a radical chain mechanism.
Direct Synthesis of Polymer Vesicles on the Hundred‐Nanometer‐and‐Beyond Scale Using Chemical Oscillations
Authors: Bastakoti Bishnu Prasad , Guragain Sudhina , Perez‐Mercader Juan 
Published: May 2018

AbstractThe direct synthesis of block copolymer vesicles on the scale of tens to hundreds of nanometers using reversible addition–fragmentation chain transfer (RAFT) dispersion polymerization as an effect of chemical oscillations is reported. RAFT polymerization is successfully accomplished between polyethylene glycol containing a RAFT agent (PEG‐CTA) and ethyl acrylate monomer in the presence of the Belousov–Zhabotinsky (B‐Z) reaction in oscillatory mode. The self‐assembly of poly(ethylene glycol)‐b‐poly(ethyl acrylate) unimers gives rise to spherical micelles. The self‐assembled micelles reorganize and transform to vesicles. All the chemistry of polymerization, self‐assembly and self‐organization, of macromolecules takes place in a single pot using only a few simple raw materials in aqueous solution.
VEGFR Recognition Interface of a Proangiogenic VEGF‐Mimetic Peptide Determined In Vitro and in the Presence of Endothelial Cells by NMR Spectroscopy
Authors: Di Stasi Rossella , Diana Donatella , Capasso Domenica , Di Gaetano Sonia , De Rosa Lucia , Celentano Veronica , Isernia Carla , Fattorusso Roberto , D'Andrea Luca D. 
Published: May 2018

AbstractQK peptide is a vascular endothelial growth factor (VEGF)‐mimetic molecule with significant proangiogenic activity. In particular, QK is able to bind and activate VEGF receptors (VEGFRs) to stimulate a functional response in endothelial cells. To characterize the peptide bioactivity and its molecular recognition properties, a detailed picture of the interaction between peptide QK and VEGF receptors is reported. By combining NMR spectroscopy studies in solution on the purified receptor and in the presence of intact endothelial cells, a molecular description of the binding interaction between peptide QK and VEGFR2 in the cellular context is obtained. These results reveal useful insights into the peptide biological mechanism, which opens the way to further optimization of this class of VEGF‐mimicking peptides.
Spülmaschinentabs
Authors: Ruppersberg Klaus , Proske Wolfgang 
Published: May 2018

ZusammenfassungSpülmaschinentabs gibt es in zahlreichen Varianten und in jedem Drogerie‐ oder Supermarkt zu kaufen, aber wer hat dieses hochkomplizierte Alltagsprodukt schon einmal genauer untersucht? Da das Produkt alkalisch ist, ist Vorsicht geboten, aber wie der Artikel zeigt, ergeben sich hochmotivierende Fragen und Erkenntnisse, die eine feste Verankerung im Alltag haben und für den kontextorientierten naturwissenschaftlichen Experimentalunterricht reichen Gewinn abwerfen.
Visualization of fluid simulation: An SPH‐based multi‐resolution method
Authors: Zhang Guijuan , Lu Dianjie , Liu Hong 
Published: May 2018

SummaryFluid simulation is an important research topic since it is widely used in virtual training, education, computer games, and digital entertainment. Generating fluid simulation results with high degree of visual realism is challenging in these applications. We present a visualization approach for fluid simulation in this paper. Our method allows students to understand the complex natural phenomena so as to solve the fluid engineering problems intuitively. In this study, an SPH (Smoothed Particle Hydrodynamics)‐based multi‐resolution method is proposed for fluid simulation. The method can keep the accuracy while improve the efficiency significantly. We construct a multi‐resolution fluid model from bottom to top by combining fluid computation and surface reconstruction. We first compute multi‐resolution particles with a novel adaptive SPH model in the bottom layer. Next, surface particles are extracted and pre‐processed to provide samples for surface extraction. Then, the multi‐resolution surface reconstruction model is built in the top layer. Meshes from different reconstruction resolutions are merged to obtain the final fluid surface. Experimental results show that our approach can effectively represent multi‐scale fluid details and efficiently produce visual‐pleasing fluid simulation results.
How to deal with QoS value constraints in MCDM based Web service selection
Authors: Serrai Walid , Abdelli Abdelkrim , Mokdad Lynda , Serrai Ashref 
Published: May 2018

SummaryThe aim of the current research is to develop a more accurate Web service selection approach that can deal with value constraints on QoS criteria in the user request. The purpose is to be able to promote services even when all the value constraints are not satisfied and hence rank them according to their closeness to meet the latter. For this effect, we use MCDM (Multi Criteria Decision making) methods together with suitable normalization techniques at different stages of the process. First of all, we consider an extension of the AHP method to compute and normalize the weights associated with the QoS criteria considered in the Web service selection. Second, we introduce a more consistent normalization technique, called OMRI, to normalize data according to value constraints. Third, we propose to extend different ranking MCDM methods to the OMRI normalization so that it becomes possible for them to cope with value constraints. The considered methods are SAW, TOPSIS, VIKOR, and WPM. To compare the accuracy of the extended ranking methods, we use the Borda compromise solution together with different similarity ratios. To validate the solution, several experiments have been conducted on a real dataset as well as on an artificial one.
Hybrid cloud computing monitoring software architecture
Authors: Aktas Mehmet S. 
Published: May 2018

SummaryCloud computing provides scalable computing resources on demand. Monitoring cloud computing resources is important so that resources can be dynamically allocated, migrated, or shut down to meet users' requirements. Challenges in cloud computing monitoring systems include detecting patterns that might lead to failure of the cloud system, detecting malfunctioning problems within the cloud platform after they occur, and issues related to the fact that existing monitoring solutions are tightly coupled to specific cloud platforms, while there is an emerging need for monitoring solutions that are independent of underlying subsystems. To address these challenges, we designed a hybrid cloud monitoring software architecture that can work as an add‐on layer on top of existing cloud computing platforms. The proposed architecture is designed based on facade software design pattern and utilizes complex event processing concept in which data from various primitive metrics streams is processed to detect previously defined patterns. Prototype applications have been developed to demonstrate the architecture's usability. Performance tests were applied to prototype applications. Computation times required for the operation of the proposed architecture were negligible.
Current‐input current‐output analog half center oscillator and central pattern generator circuits with memristors
Authors: Köymen Itir , Drakakis Emmanuel M. 
Published: May 2018

SummaryThe comparison of the memristor to the biological synapse has motivated the introduction of memristors to biomimetic circuits such as Central Pattern Generators (CPGs) and Half Center Oscillators (HCOs). The effects of the utilization of memristors in such systems have been investigated in this work. The HCO is a neural oscillator, and the CPG is made up of 4 HCOs producing oscillations corresponding to the locomotion of a 4‐limbed animal. Analog HCO and CPG circuits have been simulated using the Cadence Virtuoso platform and effects of using current‐driven and voltage‐driven memristors in different configurations with different parameters have been analyzed. Improvement in the stability of rhythm and variations in oscillation amplitudes have been observed.