bluuebunny/crossref_metadata_2025 huggingface dataset:
C‐H‐Aktivierung ermöglicht eine kurze Totalsynthese von Chinin und Analoga mit erhöhter Anti‐Malaria‐Aktivität
Authors: O' Donovan Daniel H. , Aillard Paul , Berger Martin , de la Torre Aurélien , Petkova Desislava , Knittl‐Frank Christian , Geerdink Danny , Kaiser Marcel , Maulide Nuno
Published: May 2018

Wir berichten über einen neuen Ansatz zum klassischen Naturprodukt Chinin, der auf zwei stereoselektiven Schlüsselschritten, nämlich einer C(sp3)‐H‐Aktivierung und einer Aldol‐Reaktion, welche die beiden heterocyclischen Fragmente des Zielmoleküls vereinigt, basiert. Diese direkte und flexible Strategie ermöglicht eine kurze Synthese von natürlichem (−)‐Chinin und die erste Synthese von nichtnatürlichem (+)‐Chinin, und sie bietet Zugang zu bisher unbekannten C3‐Aryl‐Analoga, welche in nur 6 Stufen hergestellt werden können. Des Weiteren zeigen wir, dass diese strukturellen Analoga, im Vergleich zu (−)‐Chinin, eine erhöhte Anti‐Malaria‐Aktivität sowohl in vitro als auch in vivo, an mit Plasmodium berghei infizierten Mäusen, aufweisen.
Aerobic Oxidation of 5‐(Hydroxymethyl)furfural Cyclic Acetal Enables Selective Furan‐2,5‐dicarboxylic Acid Formation with CeO2‐Supported Gold Catalyst
Authors: Kim Minjune , Su Yaqiong , Fukuoka Atsushi , Hensen Emiel J. M. , Nakajima Kiyotaka
Published: May 2018

The utilization of 5‐(hydroxymethyl)furfural (HMF) for the large‐scale production of essential chemicals has been largely limited by the formation of solid humin as a byproduct, which prevents the operation of stepwise batch‐type and continuous flow‐type processes. The reaction of HMF with 1,3‐propanediol produces an HMF acetal derivative that exhibits excellent thermal stability. Aerobic oxidation of the HMF acetal with a CeO2‐supported Au catalyst and Na2CO3 in water gives a 90–95 % yield of furan 2,5‐dicarboxylic acid, an increasingly important commodity chemical for the biorenewables industry, from concentrated solutions (10–20 wt %) without humin formation. The six‐membered acetal ring suppresses thermal decomposition and self‐polymerization of HMF in concentrated solutions. Kinetic studies supported by DFT calculations identify two crucial steps in the reaction mechanism, that is, the partial hydrolysis of the acetal into 5‐formyl‐2‐furan carboxylic acid involving OH− and Lewis acid sites on CeO2, and subsequent oxidative dehydrogenation of the in situ generated hemiacetal involving Au nanoparticles. These results represent a significant advance over the current state of the art, overcoming an inherent limitation of the oxidation of HMF to an important monomer for biopolymer production.
Efficient Visible‐Light‐Driven CO2 Reduction Mediated by Defect‐Engineered BiOBr Atomic Layers
Authors: Wu Ju , Li Xiaodong , Shi Wen , Ling Peiquan , Sun Yongfu , Jiao Xingchen , Gao Shan , Liang Liang , Xu Jiaqi , Yan Wensheng , Wang Chengming , Xie Yi
Published: May 2018

Solar CO2 reduction efficiency is largely limited by poor photoabsorption, sluggish electron–hole separation, and a high CO2 activation barrier. Defect engineering was employed to optimize these crucial processes. As a prototype, BiOBr atomic layers were fabricated and abundant oxygen vacancies were deliberately created on their surfaces. X‐ray absorption near‐edge structure and electron paramagnetic resonance spectra confirm the formation of oxygen vacancies. Theoretical calculations reveal the creation of new defect levels resulting from the oxygen vacancies, which extends the photoresponse into the visible‐light region. The charge delocalization around the oxygen vacancies contributes to CO2 conversion into COOH* intermediate, which was confirmed by in situ Fourier‐transform infrared spectroscopy. Surface photovoltage spectra and time‐resolved fluorescence emission decay spectra indicate that the introduced oxygen vacancies promote the separation of carriers. As a result, the oxygen‐deficient BiOBr atomic layers achieve visible‐light‐driven CO2 reduction with a CO formation rate of 87.4 μmol g−1 h−1, which was not only 20 and 24 times higher than that of BiOBr atomic layers and bulk BiOBr, respectively, but also outperformed most previously reported single photocatalysts under comparable conditions.
Rb3VO(O2)2CO3: A Four‐in‐One Carbonatoperoxovanadate Exhibiting an Extremely Strong Second‐Harmonic Generation Response
Authors: Zou Guohong , Jo Hongil , Lim Seong‐Ji , You Tae‐Soo , Ok Kang Min
Published: May 2018

A nonlinear optical (NLO) carbonatoperoxovanadate, Rb3VO(O2)2CO3, was synthesized through a simple solution‐evaporation method in phase‐pure form. Single‐crystal X‐ray diffraction revealed that the structure of Rb3VO(O2)2CO3 consists of important noncentrosymmetric (NCS) chromophores, that is, π‐delocalized (CO3)2− groups, a second‐order Jahn–Teller (SOJT) distortive V5+ cation, and π‐localized distorted O22− groups, as well as charge‐balancing polarizable Rb+ ions. The powder second‐harmonic generation (SHG) measurements indicated that Rb3VO(O2)2CO3 is phase‐matchable (Type I) and exhibits a remarkably strong SHG response circa 21.0 times that of potassium dihydrogen phosphate (KDP), which is the largest efficiency observed among carbonate NLO materials. First‐principles calculation analysis suggests that the extremely large SHG response of Rb3VO(O2)2CO3 is attributed to the synergistic effect of the cooperation of all the constituting NCS chromophores.
C−H Activation Enables a Concise Total Synthesis of Quinine and Analogues with Enhanced Antimalarial Activity
Authors: O' Donovan Daniel H. , Aillard Paul , Berger Martin , de la Torre Aurélien , Petkova Desislava , Knittl‐Frank Christian , Geerdink Danny , Kaiser Marcel , Maulide Nuno
Published: May 2018

We report a novel approach to the classical natural product quinine that is based on two stereoselective key steps, namely a C−H activation and an aldol reaction, to unite the two heterocyclic moieties of the target molecule. This straightforward and flexible strategy enables a concise synthesis of natural (−)‐quinine, the first synthesis of unnatural (+)‐quinine, and also provides access to unprecedented C3‐aryl analogues, which were prepared in only six steps. We additionally demonstrate that these structural analogues exhibit improved antimalarial activity compared with (−)‐quinine both in vitro and in mice infected with Plasmodium berghei.
Fabrication of porous three‐dimensional fibroin structures through a freezing process
Authors: Kolahreez Davood , Morshed Mohammad
Published: May 2018

Silk fibroin has been investigated for various biomedical applications. In this research, through a green process, without using freeze‐drying, which is energy consuming during a single step process that is completely aqueous‐based, without using any additional materials during or after structure formation, water‐insoluble silk fibroin sponges have been obtained; these achieved only through keeping fibroin solutions frozen at a suitable temperature for a sufficient time. The effect of solution concentration and freezing conditions on the pore morphology and size, microstructure, and mechanical properties was investigated. A discussion has been proposed for the formation of structures. The average measured pore sizes were approximately from 4 to 77 μm. Elastic modules of the investigated structures varied from about 100 to 900 kPa. Cyclic mechanical tests were performed; the remaining strain of the structures reached to about 1%. A less considered issue which can be considered as the possible significant change of the mechanical behavior of as‐prepared samples after one or more times of loading and unloading should be noted. The used method in this study as a cost effective and convenient procedure could have the potential for application in the production of porous structures for biomedical applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46537.
Evaluation of poly(methylsilane‐carbosilane) synthesized from methyl‐dichlorosilane and chloromethyldichloromethylsilane as a precursor for SiC
Authors: Wang Xinliang , Chen Yi , Li Yongming , Xu Caihong
Published: May 2018

A new poly(methylsilane‐carbosilane) (PMSCS) for silicon carbide precursor was synthesized by Wurtz‐type copolycondensation of methyldichlorosilane (MeHSiCl2) with chloromethyldichloromethylsilane (ClCH2MeSiCl2) and terminated with vinylmagnesium chloride (ViMgCl). The use of insufficient sodium made the reaction more economic and safe. By changing the ratios of two monomers and the end‐block agent, the properties of the obtained PMSCS and the C/Si ratio of its derived ceramic could be tuned. Upon pyrolysis at 1000 °C under argon, silicon carbide with nearly stoichiometric C/Si ratio and low oxygen content was obtained in 64% of ceramic yield. PMSCS showed high potential as an economical SiC ceramic precursor for the fabrication of SiC matrix, coating, and adhesives. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46610.
Highly efficient adsorbent for organic dyes based on a temperature‐ and pH‐responsive multiblock polymer
Authors: Yang Zhenglong , Chen Sai , Fu Kangyu , Liu Xinyan , Li Feng , Du Yuchuan , Zhou Peiting , Cheng Zhihao
Published: May 2018

The self‐assembly behavior of amphiphilic block copolymers in selective solutions has many applications in environmentally responsive polymer materials. In this article, we report on a new amphiphilic, temperature and pH dual‐responsive poly[2‐dimethylaminoethyl methacrylate‐co‐(methyl methacrylate)]‐b‐poly[poly(ethylene glycol) methacrylate] [P(DMAEMA‐co‐MMA)‐b‐PPEGMA], which was synthesized via reversible addition–fragmentation chain‐transfer polymerization. The structure, self‐assembly behaviors, and process of organic dye adsorption were characterized by 1H‐NMR, ultraviolet–visible absorbance spectroscopy, and DLS measurements. P(DMAEMA‐co‐MMA)‐b‐PPEGMA was proven to be an outstanding adsorbent with excellent reversibility. Methyl red was released from the micelles as the pH value of the solution was adjusted to 4, and it could also be encapsulated again when the pH value was adjusted to 7.4 because of the sensitive pH‐responsive ability. It is promising that the triblock polymer had a positive effect on dye adsorption for environmental protection. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46626.
Seabird interactions and by‐catch in the anchovy pelagic trawl fishery operating in northern Argentina
Authors: Paz Jesica Andrea , Pon Juan Pablo Seco , Favero Marco , Blanco Gabriel , Copello Sofía
Published: May 2018

Commercial fishing has been identified as one of the main threats affecting the survival of most seabird species. Although seabird mortality in Argentine longline and demersal trawl fisheries has already been characterized and quantified, the interactions with pelagic trawl fisheries targeting anchovy (Engraulis anchoita Hubbs & Marini, 1935) remains unknown.

The goal of this study was to characterize seabird assemblages attending pelagic trawl vessels and to analyse their interactions (i.e. contact of the birds with the vessel and/or fishing gear and by‐catch). Data were obtained by on‐board observers during three consecutive fishery runs, 2011–2013.

From a total of 333 observations, seabird abundance averaged 157.3 ± 229.7 birds per haul (totalling 23 species). Procellariiform followed by Charadriiform birds were the more frequent and abundant groups. The black‐browed albatross (Thalassarche melanophris (Temminck, 1828)), shearwaters (Ardenna spp. and Puffinus spp.), white‐chinned petrel (Procellaria aequinoctialis Linnaeus, 1758), and the kelp gull (Larus dominicanus Lichtenstein, 1823) were the most frequent and abundant attending species.

The seabird abundance increased when the swell and the number of neighbouring vessels decreased.

Seabird interactions with the vessel and/or fishing gear occurred in approximately 70% of the observations, with most of these representing interactions with the net (92%). The estimated contact rate was 16.7 birds h−1 per haul. A total of 121 birds were by‐caught and the average mortality rate was 0.55 birds h−1 per haul. Shearwaters and Magellanic penguins (Spheniscus magellanicus (Forster, 1781)) were the main by‐caught species (101 and 12 individuals, respectively). Lower levels of mortality were recorded in black‐browed albatrosses and white‐chinned petrels.

The interactions increased in the presence of fishing discards and during haulback operations.

This study is relevant to the implementation of the Argentine National Plan of Action – Seabirds, as well as for the continuing certification process in the anchovy fishery.
The Role of Anatomy Computer‐Assisted Learning on Spatial Abilities of Medical Students
Authors: Guimarães Bruno , Firmino‐Machado João , Tsisar Stanislav , Viana Benedita , Pinto‐Sousa Marco , Vieira‐Marques Pedro , Cruz‐Correia Ricardo , Ferreira Maria Amélia
Published: May 2018

Currently, medical education context poses different challenges to anatomy, contributing to the introduction of new pedagogical approaches, such as computer‐assisted learning (CAL). This approach provides insight into students' learning profiles and skills that enhance anatomy knowledge acquisition. To understand the influence of anatomy CAL on spatial abilities, a study was conducted. A total of 671 medical students attending Musculoskeletal (MA) and Cardiovascular Anatomy (CA) courses, were allocated to one of three groups (MA Group, CA Group, MA + CA Group). Students' pre‐training and post‐training spatial abilities were assessed through Mental Rotations Test (MRT), with scores ranging between 0‐24. After CAL training sessions, students' spatial abilities performance improved (9.72 ± 4.79 vs. 17.05 ± 4.57,P < 0.001). Although male students in both MA Group and CA Group show better baseline spatial abilities, no sex differences were found after CAL training. The improvement in spatial abilities score between sessions (Delta MRT) was correlated with Musculoskeletal Anatomy training sessions in MA Group (r = 0.333,P < 0.001) and MA + CA Group (r = 0.342,P < 0.001), and with Cardiovascular Anatomy training sessions in CA Group (r = 0.461,P = 0.001) and MA + CA Group (r = 0.324,P = 0.001). Multiple linear regression models were used, considering the Delta MRT as dependent variable. An association of Delta MRT to the amount of CAL training and the baseline spatial abilities was observed. The results suggest that CAL training in anatomy has positive dose‐dependent effect on spatial abilities.
[Bis(imidazolyl)–BH2]+[Bis(triazolyl)–BH2]− Ionic Liquids with High Density and Energy Capacity
Authors: Jiao Nianming , Zhang Yanqiang , Li Hao , Liu Long , Zhang Suojiang
Published: May 2018

[Bis(imidazolyl)–BH2]+[bis(triazolyl)–BH2]− and [bis(imidazolyl)–BH2]+[tris(triazolyl)–BH]− were synthesized, the cations and anions of which were functionalized with B−H groups and azoles. As B−H groups contribute to the hypergolic activity and azole groups improve the energy output, the resulting ionic liquids exhibited ignition delay times as low as 20 ms and energy outputs as high as 461.1 kJ mol−1. In addition, densities (1.07–1.22 g cm−3) and density‐specific impulse (≈360 s g cm−3) values reached a relatively high level. These ionic liquids show great promise as sustainable rocket fuels.
Herausforderungen im Verkehrswasserbau
Authors: Heinzelmann Christoph , Bödefeld Jörg , Westendarp Andreas
Published: May 2018

Die für Bau, Betrieb und Unterhaltung der Bundeswasserstraßen in Deutschland verantwortliche Wasserstraßen‐ und Schifffahrtsverwaltung des Bundes (WSV) steht vor großen Herausforderungen. Ein Arbeitsschwerpunkt ist die Instandhaltung der verbreitet veralteten Wasserstraßeninfrastruktur. Besondere Priorität haben dabei 34 Wehranlagen, deren Bauwerkszustand als kritisch einzustufen ist. Für Instandsetzungsmaßnahmen an Schleusenanlagen mit nur einer Schleusenkammer gilt, dass sie in der Regel unter laufendem Schiffsbetrieb durchgeführt werden müssen, da diese Anlagen im weitmaschigen Wasserstraßennetz nicht über längere Zeit gesperrt werden können.

Mit dem Bundesverkehrswegeplan 2030 hat die Bundesregierung wichtige Weichen gestellt. Ein Grundsatz lautet, dass die Erhaltung der Infrastruktur Vorrang vor dem Aus‐ und Neubau hat. Durch den Einsatz von Building Information Modeling (BIM) im Infrastrukturbau sollen Projekte künftig schneller, qualitativ besser und kostengünstiger gebaut werden.

Als technisch‐wissenschaftlicher Berater und Gutachter für die WSV ist die Bundesanstalt für Wasserbau (BAW) in die Arbeit der WSV intensiv eingebunden. Für die Instandsetzung von Schleusen unter Betrieb entwickeln BAW und WSV derzeit gemeinsam Lösungsansätze, deren praktische Umsetzbarkeit an der Neckar‐Schleusenanlage Schwabenheim erprobt werden soll. Für den Einsatz von BIM im Verkehrswasserbau leistet die BAW aktuell wichtige konzeptionelle Vorarbeiten. Als erste Pilotanwendung im Bundeswasserstraßennetz ist der Neubau der Schleuse Wedtlenstedt vorgesehen.
Integrated catalytic adsorption steam gasification in a bubbling fluidized bed for enhanced H2 production: perspective of design and pilot plant experiences
Authors: Khan Zakir , Yusup Suzana , Ahmad Murni M , Inayat Abrar , Naqvi Muhammad , Sheikh Rizwan , Watson Ian
Published: May 2018

It is important to build knowledge about the design of an integrated catalytic adsorption (ICA) steam gasification process in a bubbling fluidized bed, which can reduce CO2 content with enhanced hydrogen production. The value of this study is its presentation of detailed design considerations for the performance evaluation of an ICA system using palm oil waste as feedstock. The main advantage of using ICA gasification systems is the CO2 adsorption through a carbonation reaction (using CaO), which helps the water gas shift reaction to move forward. The activity of a catalyst improves steam methane reforming in parallel, which not only produces additional hydrogen but also releases CO to enhance the activity of the water gas shift reaction. The performance of the developed system has shown <1% of temperature variation inside the reactor, which suggested a positive role for exothermic reactions between reactive bed material (CaO) and CO2 in the product gas. The low pressure drop in the gasifier (100–130 mbar) further strengthens the design strategy for the ICA gasification system for hydrogen production. Challenges encountered during the pilot plant operations, and their potential solutions, are discussed to optimize the operation, especially for downstream equipment and auxiliaries. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Evaluation of needle trap micro‐extraction and solid‐phase micro‐extraction: Obtaining comprehensive information on volatile emissions from in vitro cultures
Authors: Oertel Peter , Bergmann Andreas , Fischer Sina , Trefz Phillip , Küntzel Anne , Reinhold Petra , Köhler Heike , Schubert Jochen K. , Miekisch Wolfram
Published: May 2018

Volatile organic compounds (VOCs) emitted from in vitro cultures may reveal information on species and metabolism. Owing to low nmol L−1 concentration ranges, pre‐concentration techniques are required for gas chromatography–mass spectrometry (GC–MS) based analyses. This study was intended to compare the efficiency of established micro‐extraction techniques – solid‐phase micro‐extraction (SPME) and needle‐trap micro‐extraction (NTME) – for the analysis of complex VOC patterns. For SPME, a 75 μm Carboxen®/polydimethylsiloxane fiber was used. The NTME needle was packed with divinylbenzene, Carbopack X and Carboxen 1000. The headspace was sampled bi‐directionally. Seventy‐two VOCs were calibrated by reference standard mixtures in the range of 0.041–62.24 nmol L−1 by means of GC–MS. Both pre‐concentration methods were applied to profile VOCs from cultures of Mycobacterium avium ssp. paratuberculosis. Limits of detection ranged from 0.004 to 3.93 nmol L−1 (median = 0.030 nmol L−1) for NTME and from 0.001 to 5.684 nmol L−1 (median = 0.043 nmol L−1) for SPME. NTME showed advantages in assessing polar compounds such as alcohols. SPME showed advantages in reproducibility but disadvantages in sensitivity for N‐containing compounds. Micro‐extraction techniques such as SPME and NTME are well suited for trace VOC profiling over cultures if the limitations of each technique is taken into account.
CFD Modeling of Active Volume Creation in a Non‐Newtonian Fluid Agitated by Submerged Recirculating Jets
Authors: Wu Binxin , Kennedy Stephen , Eshtiaghi Nicky , Parthasarathy Rajarathinam
Published: May 2018

Computational fluid dynamics (CFD) models were employed to investigate flow conditions inside a model reactor in which yield stress non‐Newtonian liquid is mobilized using submerged recirculating jets. The simulation results agree well with the experimental results of active volume in the reactor obtained using flow visualization by the authors in a previous study. The models developed are capable of predicting a critical jet velocity (vc) that determines the extent of active volume obtained due to jet mixing. The vc values are influenced both by the rheological properties of the liquid and the nozzle orientation. The liquid with higher effective viscosity leads to higher vc for a downward facing injection nozzle. However, an upward facing injection nozzle along with a downward facing suction nozzle generates enhanced complementary flow fields which overcome the rheological constraints of the liquid and lead to lower vc.
Diffusion Studies of Glucose and Sucrose in Chitosan Membranes and Beads for Enzymatic Production Processes
Authors: Hartig Dave , Hacke Sandra , Ott Lisanne , Gabrielczyk Jakub , Müller Clarissa , Jördening Hans-Joachim , Scholl Stephan
Published: May 2018

The diffusion of glucose and sucrose was investigated in membrane and bead experiments. Concentration‐dependent diffusion coefficients of pure glucose and sucrose were determined in precipitated chitosan membranes of varying thickness using diffusion cell experiments. Contrary to fructose, the resulting diffusion coefficients of glucose and sucrose did not reach their free diffusion coefficients at infinite dilution suggesting additional interactions between chitosan and these two sugars. Counter‐diffusion in bead experiments showed a good agreement between predicted and measured data allowing the inclusion of the diffusion data in the simulation of the proposed production process for laminaribiose. In conclusion, the encapsulation in chitosan presented a good trade‐off between increased mass transfer resistance as evaluated by the Thiele modulus and improved thermal stability and antibacterial activity.
Electrospun N‐Doped Hierarchical Porous Carbon Nanofiber with Improved Degree of Graphitization for High‐Performance Lithium Ion Capacitor
Authors: Shi Ruiying , Han Cuiping , Xu Xiaofu , Qin Xianying , Xu Lei , Li Hongfei , Li Junqin , Wong Ching‐Ping , Li Baohua
Published: May 2018

The lithium‐ion capacitor (LIC) has been regarded as a promising device that combines the merits of lithium‐ion batteries and supercapacitors, and that meets the requirements for both high energy and high power density. The development of advanced electrode materials is the key requirement. Herein, we report the bottom‐up synthesis of activated carbon nanofiber (a‐PANF) with a hierarchical porous structure and a high degree of graphitization. Electrospinning has been employed to prepare an interconnected fiber network with macropores, and ferric acetylacetonate has been introduced as both a mesopore‐creating agent and a graphitic catalyst to increase the degree of graphitization. Furthermore, chemical activation enlarges the specific surface area by producing abundant micropores. Half‐cell evaluation of the as‐prepared a‐PANF gave a discharge capacity of 80 mA h g−1 at 0.1 A g−1 within 2–4.5 V and no capacity fading after 1000 cycles at 2 A g−1, which represents a significant improvement compared to conventional activated carbon (AC). Furthermore, an as‐assembled LIC with a‐PANF cathode and Fe3O4 anode showed a superior energy density of 124.6 W h kg−1 at a specific power of 93.8 W kg−1, which remained at 103.7 W h kg−1 at 4687.5 W kg−1. This indicates promising application potential of a‐PANF as an electrode material for efficient energy storage systems.
Sphingolipids regulate neuromuscular synapse structure and function in Drosophila
Authors: West Ryan J. H. , Briggs Laura , Perona Fjeldstad Maria , Ribchester Richard R. , Sweeney Sean T.
Published: May 2018

Sphingolipids are found in abundance at synapses and have been implicated in regulation of synapse structure, function, and degeneration. Their precise role in these processes, however, remains obscure. Serine Palmitoyl‐transferase (SPT) is the first enzymatic step for synthesis of sphingolipids. Analysis of the Drosophila larval neuromuscular junction (NMJ) revealed mutations in the SPT enzyme subunit, lace/SPTLC2 resulted in deficits in synaptic structure and function. Although NMJ length is normal in lace mutants, the number of boutons per NMJ is reduced to ∼50% of the wild type number. Synaptic boutons in lace mutants are much larger but show little perturbation to the general ultrastructure. Electrophysiological analysis of lace mutant synapses revealed strong synaptic transmission coupled with predominance of depression over facilitation. The structural and functional phenotypes of lace mirrored aspects of Basigin (Bsg), a small Ig‐domain adhesion molecule also known to regulate synaptic structure and function. Mutant combinations of lace and Bsg generated large synaptic boutons, while lace mutants showed abnormal accumulation of Bsg at synapses, suggesting that Bsg requires sphingolipid to regulate structure of the synapse. In support of this, we found Bsg to be enriched in lipid rafts. Our data points to a role for sphingolipids in the regulation and fine‐tuning of synaptic structure and function while sphingolipid regulation of synaptic structure may be mediated via the activity of Bsg.
Open‐Label, Dose‐Escalation, Phase 1 Study of Safety and Single and Multiple‐Dose Pharmacokinetics of Dichlorphenamide in Healthy Volunteers
Authors: Cohen Fredric
Published: May 2018

Single‐and multiple‐dose pharmacokinetics and safety were investigated in this phase 1 study of dichlorphenamide, a carbonic anhydrase inhibitor approved in the United States for treatment of primary periodic paralysis. Dichlorphenamide was administered to 6 cohorts (n = 6 each) of healthy adults. Cohorts A through E received single doses of 25–400 mg followed by 50–800 mg/day in divided doses for 10 total doses. Cohort F (safety analysis only) received up to 28 titrated doses from 100–800 mg/day. Plasma for pharmacokinetics sampling was obtained predose and up to 48 hours postdose. Twenty‐five of 36 enrolled subjects completed. Median time to maximum plasma concentration ranged from 1.5–3 hours, and mean half‐life from 32–68 hours. Mean area under the concentration‐time curve from time 0 to tau (length of the dosing interval estimated using the trapezoidal method) and maximum observed plasma concentration increased dose‐proportionally after multiple doses. The incidence and severity of adverse events (AEs) were dose‐related, with at least one mild AE reported among 17%, 17%, and 67% of patients in cohorts A, B, and C, respectively; and at least one mild‐to‐moderate AE among 100% of subjects in cohorts D, E, and F. One serious AE of rash was reported in cohort F. Eleven subjects discontinued; 10 due to AEs at 400 or 800 mg/day (cohorts E and F), including 100% of cohort F. Hypokalemia contributed to 5 of 6 discontinuations in cohort F (all 800 mg/day).
Social network data analysis and mining applications for the Internet of Data
Authors: Cuomo Salvatore , Maiorano Francesco
Published: May 2018

Social network analysis is an interdisciplinary topic attracting researchers from biology, economics, psychology, and machine learning, with an existing long history based on graph theory. It has since attracted interests from both the research and business communities for a strong potential and variety of applications. In addition, this interest has been fueled by the large success of online social networking sites and the subsequent abundance of social network data produced. An important aspect in this research field isinfluence maximizationin social networks. The goal is to find a set of individuals to be targeted with the aim to drive social contagion and generate a diffusion cascade. We provide here an overview of the models and approaches used to analyze social networks. In this context, we also discuss data preparation and privacy concerns. We further describe different kind of approaches based on centrality measures, which express a sociological interpretation of the data, and stochastic influence and information propagation techniques, which aim at modeling the underlying diffusion processes that govern social interactions.
Employing Theories Far beyond Their Limits – Linear Dichroism Theory
Authors: Mayerhöfer Thomas G.
Published: May 2018

Using linear polarized light, it is possible in case of ordered structures, such as stretched polymers or single crystals, to determine the orientation of the transition moments of electronic and vibrational transitions. This not only helps to resolve overlapping bands, but also assigning the symmetry species of the transitions and to elucidate the structure. To perform spectral evaluation quantitatively, a sometimes “Linear Dichroism Theory” called approach is very often used. This approach links the relative orientation of the transition moment and polarization direction to the quantity absorbance. This linkage is highly questionable for several reasons. First of all, absorbance is a quantity that is by its definition not compatible with Maxwell's equations. Furthermore, absorbance seems not to be the quantity which is generally compatible with linear dichroism theory. In addition, linear dichroism theory disregards that it is not only the angle between transition moment and polarization direction, but also the angle between sample surface and transition moment, that influences band shape and intensity. Accordingly, the often invoked “magic angle” has never existed and the orientation distribution influences spectra to a much higher degree than if linear dichroism theory would hold strictly. A last point that is completely ignored by linear dichroism theory is the fact that partially oriented or randomly‐oriented samples usually consist of ordered domains. It is their size relative to the wavelength of light that can also greatly influence a spectrum. All these findings can help to elucidate orientation to a much higher degree by optical methods than currently thought possible by the users of linear dichroism theory. Hence, it is the goal of this contribution to point out these shortcomings of linear dichroism theory to its users to stimulate efforts to overcome the long‐lasting stagnation of this important field.
Evaluating the Use of KIM‐1 in Drug Development and Research Following FDA Qualification
Authors: Chen Ru , Sanyal Sarmistha , Thompson Aliza , Ix Joachim H. , Haskins Kylie , Muldowney Laurie , Amur Shashi
Published: May 2018

The Biomarker Qualification Program was established at the Center for Drug Evaluation and Research (CDER), Food and Drug Administration (FDA) to expedite the integration of promising biomarkers across multiple drug development programs. The first set of biomarkers qualified in 2008 consisted of seven nonclinical safety biomarkers for the detection of acute drug‐induced nephrotoxicity in rats, and included urinary kidney injury molecule‐1 (KIM‐1). This article discusses the use of KIM‐1 in drug development and research before and after CDER's qualification of KIM‐1. Use was determined by analyzing relevant documents identified by keyword searches using three databases: 1) an FDA internal database, Document Archiving, Reporting, and Regulatory Tracking System (DARRTS); 2) ClinicalTrials.gov; and 3) PubMed. The results indicate increased use of KIM‐1 as a biomarker for detection of kidney injury in drug development programs reviewed by CDER, as well as in research following qualification.
Cluster‐based mobility management algorithms for wireless mesh networks
Authors: Mallikarjuna Rao Y. , Subramanyam M. V. , Satya Prasad K.
Published: May 2018

Wireless mesh networks (WMNs) have been the recent advancements and attracting more academicians and industrialists for their seamless connectivity to the internet. Radio resource is one among the prime resources in wireless networks, which is expected to use in an efficient way especially when the mobile nodes are on move. However, providing guaranteed quality of service to the mobile nodes in the network is a challenging issue. To accomplish this, we propose 2 clustering algorithms, namely, static clustering algorithm for WMNs and dynamic clustering algorithm for WMNs. In these algorithms, we propose a new weight‐based cluster head and cluster member selection process for the formation of clusters. The weight of the nodes in WMN is computed considering the parameters include the bandwidth of the node, the degree of node connectivity, and node cooperation factor. Further, we also propose enhanced quality of service enabled routing protocol for WMNs considering the delay, bandwidth, hopcount, and expected transmission count are the routing metrics. The performance of the proposed clustering algorithms and routing protocol are analyzed, and results show high throughput, high packet delivery ratio, and low communication cost compared with the existing baseline mobility management algorithms and routing protocols.
Distance and clustering‐based energy‐efficient pseudonyms changing strategy over road network
Authors: Memon Imran
Published: May 2018

To improve the fairness, the energy consumption changing pseudonyms needs to be taken into account. Existing works focus on changing velocity‐based pseudonyms changing strategy and short changes interval with limited coverage, but due to similar velocity and short changes, internal attacker guesses easily known communication and location information due to location information of vehicle on tracking, which may expose adversary private information, and frequently, pseudonyms changing occurs due to movement of vehicles' similar velocity and short coverage, which may cause serious attack of vehicle. To overcome this problem, distance and cluster can be performed. In this work, we proposed distance and cluster‐based energy pseudonyms changing method for road network. We proposed distance and energy‐based clustering routing service over road network, the cluster head elected to depend on random number of distance and energy to change pseudonyms of vehicles. An each interval to be establish cluster head vehicle deployed while selects the operation mode and informs the cluster members of the selected mode through beacon signal. The cluster head vehicle node performs the pseudonyms changing based on the predicted distance and energy of the cluster member to use clustering optimization. The data of whole network send to report server through these nodes while near the RSU, and the vehicles in this area will use less energy to change the pseudonyms. The simulation results show that the proposed method enhances pseudonyms changing strategy less consumption and delays sufficient privacy level each vehicle also our method has outperform compare with existing methods than we use Sumo simulation and Matlab tools to verify our proposed method. Our proposed method outperformed in terms of pseudonym changing energy efficiency to careful attention during the cluster formation process, stable and balanced clusters that prolong the network lifetime, increases distances to more CH vehicles connectivity to makes clustering group and changing their pseudonyms in terms of high level privacy and finally, CH nodes use Dijkstra's algorithm use MST among the vehicles nodes depend on existing road networks to follow shortest path selection roads in terms of high connectivity probability of CH and stable structure of the network decreases the topology changes and thus,the clustering overhead is reduced.
Integrative analysis of genome‐wide lncRNA and mRNA expression in newly synthesized Brassica hexaploids
Authors: Wang Ruihua , Zou Jun , Meng Jinling , Wang Jianbo
Published: May 2018

Polyploidization, as a significant evolution force, has been considered to facilitate plant diversity. The expression levels of lncRNAs and how they control the expression of protein‐coding genes in allopolyploids remain largely unknown. In this study, lncRNA expression profiles were compared between Brassica hexaploid and its parents using a high‐throughput sequencing approach. A total of 2,725, 1,672, and 2,810 lncRNAs were discovered in Brassica rapa, Brassica carinata, and Brassica hexaploid, respectively. It was also discovered that 725 lncRNAs were differentially expressed between Brassica hexaploid and its parents, and 379 lncRNAs were nonadditively expressed in this hexaploid. LncRNAs have multiple expression patterns between Brassica hexaploid and its parents and show paternal parent‐biased expression. These lncRNAs were found to implement regulatory functions directly in the long‐chain form, and acted as precursors or targets of miRNAs. According to the prediction of the targets of differentially expressed lncRNAs, 109 lncRNAs were annotated, and their target genes were involved in the metabolic process, pigmentation, reproduction, exposure to stimulus, biological regulation, and so on. Compared with the paternal parent, differentially expressed lncRNAs between Brassica hexaploid and its maternal parent participated in more regulation pathways. Additionally, 61 lncRNAs were identified as putative targets of known miRNAs, and 15 other lncRNAs worked as precursors of miRNAs. Some conservative motifs of lncRNAs from different groups were detected, which indicated that these motifs could be responsible for their regulatory roles. Our findings may provide a reference for the further study of the function and action mechanisms of lncRNAs during plant evolution.
T cells and ILC2s are major effector cells in influenza‐induced exacerbation of allergic airway inflammation in mice
Authors: Li Bobby W. S. , de Bruijn Marjolein J. W. , Lukkes Melanie , van Nimwegen Menno , Bergen Ingrid M. , KleinJan Alex , GeurtsvanKessel Corine H. , Andeweg Arno , Rimmelzwaan Guus F. , Hendriks Rudi W.
Published: May 2018

Influenza virus infection is an important cause of severe asthma exacerbations, but it remains unclear how a Th1‐mediated antiviral response triggers a prototypical Th2 disease. We investigated CD4+ T cells and group 2 innate lymphoid cells (ILC2s) in influenza virus‐infected mice. We found that ILC2s accumulated in the lung rapidly after influenza virus infection, but the induction of IL‐5 and IL‐13 secretion was delayed and concomitant with T cell activation. In an influenza‐induced exacerbation of allergic airway inflammation model we noticed an initial reduction of ILC2 numbers and cytokine production in broncho‐alveolar lavage compared to chronic house dust mite (HDM)‐mediated airway inflammation alone. ILC2s phenotype was characterized by low T1/ST2, ICOS, KLRG1, and CD25 expression, resembling naïve ILC2s. The contribution of ILC2s to type 2 cytokine production in the early stage of the influenza‐induced exacerbation was limited. In contrast, T cells showed increased IL‐4 and IL‐5 production when exposed to both HDM and influenza virus. Upon virus clearance, ILC2s regained an activated T1/ST2highICOShighKLRG1highCD25high phenotype paired with cytokine production and were major contributors to the type 2 cytokine milieu. Collectively, our data indicate that both T cells and ILC2s contribute to influenza‐induced exacerbation of allergic airway inflammation, but with different kinetics.
An Iron Oxychloride/Reduced Graphene Oxide Heterojunction with Enhanced Catalytic Performance as a Photo‐Fenton Catalyst
Authors: Zhang Jian , Zhao Xinfu , Zhong Mingliang , Yang Mengxue , Lian Ye , Liu Guodong , Liu Shaojie
Published: May 2018

To aid with the environmental crisis, a new iron oxychloride/reduced graphene oxide (FeOCl/rGO) heterojunction has been successfully synthesized. The heterojunction shows enhanced photo‐Fenton catalytic activity and stability relative to those of FeOCl under mild conditions (neutral solution and natural light). The surface area, optical adsorption, and electronegativity of FeOCl/rGO are larger than those of FeOCl, and these properties contribute to the enhanced catalytic performance of FeOCl/rGO. Furthermore, the rapid transfer of photogenerated electrons from rGO to FeOCl promotes the reduction of FeIII to FeII, which boosts the production of ·OH radicals. On the basis of active‐species trapping experiments, the ·OH radicals play a primary role, whereas ·O2– radicals play a secondary role. This work demonstrates the first example of the facilitation of Fenton catalytic performance through the introduction of rGO to FeOCl for sunlight‐induced photodegradation.
Trinuclear Dioxidomolybdenum(VI) Complexes of Tritopic Phloroglucinol‐Based Ligands and Their Catalytic Applications for the Selective Epoxidation of Olefins
Authors: Maurya Mannar R. , Tomar Reshu , Rana Lata , Avecilla Fernando
Published: May 2018

Four trinuclear dioxidomolybdenum(VI) complexes, [{MoVIO2(H2O)}3ptk(bhz)3] (1), [{MoVIO2(H2O)}3ptk(fah)3] (2), [{MoVIO2(H2O)}3ptk(inh)3] (3), and [{MoVIO2(H2O)}3ptk(nah)3] (4), based on the tritopic central 2,4,6‐triacetylphloroglucinol (H3ptk) ligands H6ptk(bhz)3 (I), H6ptk(fah)3 (II), H6ptk(inh)3 (III) and H6ptk(nah)3 (IV) (Hbhz = benzoylhydrazide, Hfah = 2‐furanoylhydrazide, Hinh = isonicotinoylhydrazide and Hnah = nicotinoylhydrazide), respectively, are presented. All of the synthesized ligands, as well as their complexes, have been characterized by elemental, thermal, and electrochemical analyses, spectroscopic techniques (FTIR, UV/Vis, 1H and 13C NMR), and single‐crystal X‐ray studies of [{MoVIO2(H2O)}{MoVIO2(MeOH)}2ptk(bhz)3]·2H2O·1.25MeOH (1a) and [{MoVIO2(EtOH)}3ptk(fah)3]·3EtOH (2a). Each pocket of the ligands coordinates in a dibasic tridentate fashion through two oxygen atoms and one nitrogen atom to each metal center. Due to the presence of tridentate binding pockets in the ligands, each metal center conserves its octahedral structure by coordinating with water molecules in the synthesized complexes or by other solvent(s) in the crystal structures. These complexes were evaluated for the epoxidation of terminal and internal alkenes in the presence of H2O2 using NaHCO3 as a promoter. Under the optimized reaction conditions, all alkenes were converted to the corresponding epoxides selectively in good yield and high turnover number.
Chiral Squaramide Catalyzed Enantioselective 1,6‐Michael Addition of Pyrazolin‐5‐ones to Styrylisoxazole Derivatives
Authors: Sharma Vivek , Kaur Jasneet , Chimni Swapandeep S.
Published: May 2018

The cinchonidine squaramide catalyzed enantioselective 1,6‐Michael addition reaction between pyrazolin‐5‐ones and 3‐methyl‐4‐nitro‐5‐alkenylisoxazoles has been developed. This method successfully afforded various chiral heterocyclic compounds that containing both pyrazole and isoxazole moieties in good yields (up to 91 %) with high enantiomeric ratios (er up to 91:9).
Synthesis of Lamellarin G Trimethyl Ether by von Miller–Plöchl‐Type Cyclocondensation
Authors: Colligs Vanessa C. , Dialer Clemens , Opatz Till
Published: May 2018

A concise synthesis of lamellarin G trimethyl ether based on a von Miller–Plöchl‐type cyclocondensation of a deprotonated α‐amino nitrile with an α,β‐unsaturated ketone as the key step was developed. The general strategy does not rely on molecular symmetry and allows for the independent variation of the substitution pattern.
Synergistic Gold and Copper Dual Catalysis for Intramolecular Glaser–Hay Coupling: Rapid Total Synthesis of Ivorenolide B
Authors: Rangaraju Sudheer K. , Gonela Uma Maheshwar , Kavita Aala , Yadav Jhillu S. , Mohapatra Debendra K.
Published: May 2018

A synergistic dual catalysis approach involving gold and copper catalysts for the synthesis of macrolactones bearing 1,3‐butadiynes through an intramolecular Glaser–Hay coupling reaction in good yield is described. This dual catalytic system exhibited good selectivity, reactivity and functional group tolerance. This unique process offers a paradigm shift: the potential as well as the versatility of this novel method is not only exemplified for the synthesis of macrolactones of different ring size but also for the rapid total synthesis of ivorenolide B, a new class of macrolides endowed with conjugated 1,3‐diyne motif, having impressive immunosuppressive activities.
Atomic Layer Electrodeposition of Pt on Nanoporous Au and its Application in pH Sensing
Authors: Lee Euna , Sung Moonchang , Wang Yumi , Kim Jongwon
Published: May 2018

The preparation of nanoporous metal structures has received a substantial amount of attention because of the unique properties and various applications of these structures. In this work, the preparation of nanoporous Pt structures by modification of nanoporous gold (NPG) surfaces with Pt was achieved. An atomic layer electrodeposition (ALED) technique previously reported for the modification of flat Au surfaces with Pt was applied to the NPG surfaces to produce Pt‐modified NPG structures. The optimal ALED parameters, such as deposition potential, time, and number of cycles, for the preparation of Pt‐modified NPG structures were investigated. Scanning electron microscopy and energy‐dispersive X‐ray analysis confirmed the successful preparation of nanoporous Pt structures by ALED techniques. The Pt‐modified NPG performed well as a pH sensor with a Nernstian slope and negligible hysteresis. The method of preparing the nanoporous Pt structures reported in this work could be utilized in various applications such as electrocatalysis and electroanalysis.
Proteinase pattern of honeybee prepupae from healthy and American Foulbrood infected bees investigated by zymography
Authors: Felicioli Antonio , Turchi Barbara , Fratini Filippo , Giusti Matteo , Nuvoloni Roberta , Dani Francesca Romana , Sagona Simona
Published: May 2018

American foulbrood disease (AFB) is the main devastating disease that affects honeybees’ brood, caused by Paenibacillus larvae. The trend of the research on AFB has addressed the mechanisms by which P. larvae bacteria kill honeybee larvae. Since prepupae could react to the infection of AFB by increasing protease synthesis, the aim of this work was to compare protease activity in worker prepupae belonging to healthy colonies and to colonies affected by AFB. This investigation was performed by zymography. In gel, proteolytic activity was observed in prepupae extracts belonging only to the healthy colonies. In the prepupae extracts, 2D zimography followed by protein identification by MS allowed to detect Trypsin‐1 and Chymotrypsin‐1, which were not observed in diseased specimens. Further investigations are needed to clarify the involvement of these proteinases in the immune response of honeybee larvae and the mechanisms by which P. larvae inhibits protease production in its host.