bluuebunny/crossref_metadata_2025_split huggingface dataset:
Validation of the effect of cross‐calibrated GOES solar proton effective energies on derived integral fluxes by comparison with STEREO observations
Authors: Rodriguez J. V. , Sandberg I. , Mewaldt R. A. , Daglis I. A. , Jiggens P. 
Published: December 2016

AbstractThe derivation of integral fluxes from instrument coincidence rates requires accurate knowledge of their effective energies. Recent cross calibrations of GOES with the high‐energy‐resolution Interplanetary Monitoring Platform (IMP) 8 Goddard Medium Energy Experiment (GME) (Sandberg et al., Geophys. Res. Lett, 41, 4435, 2014a) gave significantly lower effective energies than those currently used by the NOAA Space Weather Prediction Center to calculate solar proton integral fluxes from GOES rates. This implies systematically lower integral fluxes than currently produced. This paper quantifies the differences between the current and the cross‐calibrated GOES integral fluxes and validates the latter. Care is taken to rule out the spectral resolution of the measurements or different integration algorithms as major contributors to differences in the magnitudes of the derived integral fluxes. The lower effective energies are validated by comparison with the independent, high‐resolution observations by the STEREO Low‐Energy Telescope (LET) and High‐Energy Telescope (HET) during the December 2006 solar proton events. The current GOES product is similar to the >10 MeV integral fluxes recalculated by using the Sandberg et al. [] effective energies but is substantially greater at higher energies. (The median ratios of the current to the recalculated fluxes are 1.1 at >10 MeV, 1.7 at >30 MeV, 2.1 at >60 MeV, and 2.9 at >100 MeV.) By virtue of this validation, the cross‐calibrated GOES integral fluxes should be considered more accurate than the current NOAA product. The results of this study also demonstrate good consistency between the two long‐term IMP 8 GME and STEREO LET and HET solar proton data sets.
1,2‐Bis(diarylmethylene)cyclobutane as an Effective Building Block for Aggregation‐Induced Emissive Materials
Authors: Eguchi Hiroshi , Nishiyama Hiroki , Inagi Shinsuke , Tomita Ikuyoshi 
Published: December 2016

AbstractSolid‐state luminescent properties of 1,2‐bis(diarylmethylene)cyclobutanes are described. A series of 1,2‐bis(diarylmethylene)cyclobutanes were prepared by a regio‐ and chemoselective cyclodimerization of 1,1‐diarylallenes, mediated by a stoichiometric amount of Ni(PPh3)4, in 64–77 % yields. These dimers exhibit excellent aggregation‐induced emission (AIE) properties with a quantum yield that reaches 85 % in the solid state. The crystal structures of the products revealed that the peripheral benzene rings suppress the intermolecular π–π stacking, resulting in remarkably efficient luminescence.
The search for electron rings inside atoms led to the Debye‐Scherrer method
Authors: Kasten Peter 
Published: December 2016

When physicists perform and evaluate experiments they sometimes have to learn that their results differ significantly from their initial expectations. An example of this are the findings of physicists Peter Debye from the Netherlands (1884–1966) (Fig. 2) and Paul Scherrer from Switzerland (1890–1969) (Fig. 3). Their 1915 report, Interferences on Randomly Distributed Particles in X‐Ray Light, Part I (Interferenzen an regellos orientierten Teilchen im Röntgenlicht I) described the development of a new approach to solve the atomic structure of crystals: X‐ray powder diffractometry [1].
An Orthogonal D2O‐Based Induction System that Provides Insights into d‐Amino Acid Pattern Formation by Radical S‐Adenosylmethionine Peptide Epimerases
Authors: Morinaka Brandon I. , Verest Marjan , Freeman Michael F. , Gugger Muriel , Piel Jörn 
Published: December 2016

AbstractRadical S‐adenosyl methionine peptide epimerases (RSPEs) are an enzyme family that accomplishes regiospecific and irreversible introduction of multiple d‐configured residues into ribosomally encoded peptides. Collectively, RSPEs can generate diverse epimerization patterns in a wide range of substrates. Previously, the lack of rapid methods to localize epimerized residues has impeded efforts to investigate the function and applicative potential of RSPEs. An efficient mass spectrometry‐based assay is introduced that permits characterization of products generated in E. coli. Applying this to a range of non‐natural peptide‐epimerase combinations, it is shown that the d‐amino acid pattern is largely but not exclusively dictated by the core peptide sequence, while the epimerization order is dependent on the enzyme‐leader pair. RSPEs were found to be highly promiscuous, which allowed for modular introduction of peptide segments with defined patterns.
Stereodivergent Olefination of Enantioenriched Boronic Esters
Authors: Armstrong Roly J. , García‐Ruiz Cristina , Myers Eddie L. , Aggarwal Varinder K. 
Published: December 2016

AbstractA stereodivergent coupling reaction between vinyl halides and boronic esters is described. This coupling process proceeds without a transition‐metal catalyst, instead proceeding by electrophilic selenation or iodination of a vinyl boronate complex followed by stereospecific syn or anti elimination. Chiral, nonracemic boronic esters could be coupled with complete enantiospecificity. The process enables the highly stereoselective synthesis of either the E or Z alkene from a single isomer of a vinyl coupling partner.
Sulfonimidamide in medizinischer Chemie und Agrochemie
Authors: Chinthakindi Praveen K. , Naicker Tricia , Thota Niranjan , Govender Thavendran , Kruger Hendrik G. , Arvidsson Per I. 
Published: December 2016

AbstractDie Synthese und die Evaluierung von Strukturanaloga und Isosteren sind für die medizinische Chemie und die Agrochemie von zentraler Bedeutung. Sulfonamid repräsentiert als funktionelle Gruppe eines der wichtigsten Amid‐Isostere des heutigen Wirkstoff‐Designs, und etwa 500 solcher Verbindungen haben bisher sowohl die pharmakologischen als auch die regulatorischen Hürden überwunden, die den Studien am Menschen vorausgehen. Die Monoaza‐Analoga von Sulfonamiden – die Sulfonimidamide – werden bei Synthesechemikern, die biologisch aktive Verbindungen für pharmazeutische und agrochemische Anwendungen entwickeln, immer populärer als neuartige funktionelle Gruppe. Dieser Kurzaufsatz diskutiert die aktuellen Entwicklungen, um die Perspektiven dieser funktionellen Gruppe aufzuzeigen.
Sulfonimidamides in Medicinal and Agricultural Chemistry
Authors: Chinthakindi Praveen K. , Naicker Tricia , Thota Niranjan , Govender Thavendran , Kruger Hendrik G. , Arvidsson Per I. 
Published: December 2016

AbstractThe synthesis and evaluation of structural analogues and isosteres are of central importance in medicinal and agricultural chemistry. The sulfonamide functional group represents one of the most important amide isosteres in contemporary drug design, and about 500 such compounds have overcome both the pharmacological and regulatory hurdles that precede studies in humans. The mono aza analogues of sulfonamides, that is, sulfonimidamides, are rapidly gaining popularity as a novel functional group among synthetic chemists involved in the design of biologically active compounds for both pharmaceutical and agrochemical applications. Herein, we review these recent developments to showcase the promise of this functional group.
Highly stable magnetically separable copper nanocatalyst as an efficient catalyst for C(sp2)–C(sp) and C(sp2)–C(sp2) cross‐coupling reactions
Authors: Keypour Hassan , Balali Masomeh , Nejat Razieh , Bagherzadeh Mojtaba 
Published: December 2016

A copper catalyst has been explored as an efficient and recyclable catalyst to effect Sonogashira and Suzuki cross‐coupling reactions. After modification of 2‐(((piperazin‐1‐ylmethyl)imino)methyl)phenol (PP) on the surface of amorphous silica‐coated iron oxide (Fe3O4@SiO2@Cl) magnetic core–shell nanocomposite, copper(II) chloride was employed to synthesize the Fe3O4@SiO2@PP‐Cu catalyst, affording a copper loading of 1.52 mmol g−1. High yield, low reaction times, non‐toxicity and recyclability of the catalyst are the main merits of this protocol. The catalyst was characterized using Fourier transform infrared, X‐ray photoelectron, energy‐dispersive X‐ray and inductively coupled plasma optical emission spectroscopies, X‐ray diffraction, scanning and transmission electron microscopies, and vibrating sample magnetometry.
Das Schiffshebewerk am Drei‐Schluchten‐Staudamm, China – Bau des größten Fahrstuhls der Welt
Authors: Akkermann Jan , Wu Xiaoyun 
Published: December 2016

AbstractMit einer Bauwerkshöhe von 169 m, einer maximalen Hubhöhe von 113 m und bewegten Massen von ca. 33 000 t wird das Schiffshebewerk am Drei‐Schluchten‐Staudamm in China das weltweit größte seiner Art sein. Das Bauwerk steht vor seiner Fertigstellung; der Probebetrieb läuft seit 2015. Parallel gelegen zur bereits voll betriebenen fünfstufigen Schleusentreppe an dem 2,3 km langen Staudamm besteht das Hebewerk aus vier Stahlbeton‐Türmen. Ein stählerner, wassergefüllter Schiffstrog mit 132 m Länge, 23 m Breite und 10,5 m Höhe wird Schiffe mit einer maximalen Wasserverdrängung von 3 000 t befördern. Die Konstruktion gewinnt ihre Flexibilität aus der innovativen Kombination aus Tragwerk und Maschinenbau. Das sich seit 2008 im Bau befindende Hebewerk wurde mittels Gleitschalung errichtet. Aufgrund der Toleranzanforderungen des eingebauten Antriebssystems wurde eine spezielle Kombination aus Erst‐ und Zweitbeton sowie Verguss verwendet. Der Artikel beschreibt die bautechnischen Aspekte des Projekts mit Fokus auf die Bauausführung.
Die produktrechtlichen Haftungsrisiken des Berechnungsingenieurs
Authors: Schlammer Janine , König Claus , Schmidt Jörg 
Published: December 2016

AbstractSimulationsprogramme, wie z. B. die Methode der Finiten Elemente, gehören heute zu den Standardwerkzeugen in der Produktentwicklung. Mit diesen Systemen werden in vielen Bereichen technische und naturwissenschaftliche Probleme mathematisch abgebildet und deren Lösung grafisch aufbereitet. Den Entstehungsprozess des Produkts unterstützen diese Werkzeuge in hohem Maße, die fachlichen Entscheidungen allerdings trifft der Berechnungsingenieur. Dieser sollte für seine Tätigkeit über ein ausreichendes theoretisches und anwendungsspezifisches Fachwissen verfügen und somit auch Kenntnis über mögliche Fehlerquellen besitzen.Da bis zum Ende des Projekts Fehler in der Analyse nicht ausgeschlossen werden können, verbleibt für den Projektingenieur ein erhebliches fachliches Risiko. Ein konsequentes Prozess‐ bzw. Qualitätsmanagement kann dazu beitragen, diese fachlichen Risiken zu verringern bzw. zu vermeiden. Mit den fachlichen Risiken verbunden sind stets auch Haftungsrisiken. Hier kann zwischen Ansprüchen aus Vertrag und solchen aus außervertraglicher Haftung unterschieden werden. Zu Letzterem zählen auch Ansprüche aus dem Produkthaftungsgesetz. Grundsätzlich ist das Risiko, für einen Produktfehler zur Verantwortung gezogen zu werden, umso größer, je mehr Verantwortung der Berechnungsingenieur innerhalb des Unternehmens besitzt.Diese Ausarbeitung soll einen Überblick über das produktrechtliche Haftungsrisiko des Berechnungsingenieurs geben. Somit richtet sich die Thematik insbesondere an Unternehmen und Ingenieure, die Berechnungsdienstleistungen oder Berechnungsleistungen im Rahmen ihrer unternehmensinternen Produktentwicklung ausführen.
Parabolschalen aus Hochleistungsbeton als Solarkollektoren
Authors: Forman Patrick , Kämper Christoph , Stallmann Tobias , Schnell Jürgen , Mark Peter 
Published: December 2016

AbstractParabolrinnen in solarthermischen Kraftwerken werden bisher vornehmlich als Stahlfachwerke mit punktgestützten Spiegelelementen hergestellt. Um die Stromerzeugung kostengünstiger zu gestalten, wurde bereits an einem kleinformatigen Demonstrator mit Parabolschale gezeigt, dass solche Kollektormodule auch aus Beton hergestellt werden können [1]. Unterschiedliche Konzepte, welche sich in ihrer Apertur sowohl an etablierten Kollektormodulen mit ca. 6 m Öffnungsweite als auch an großformatigen Kollektoren mit bis zu 10 m großen Aperturweiten orientieren, wurden im Rahmen des von der DFG geförderten Schwerpunktprogramms SPP 1542 „Leicht Bauen mit Beton” innerhalb des Kooperationsprojekts zwischen der Technischen Universität Kaiserslautern und der Ruhr‐Universität Bochum entwickelt. Sie unterscheiden sich zusätzlich durch ihre Lagerungsart und in der Querschnittsausbildung entweder als einwandige Schale mit kraftflussaffinen Aussteifungselementen oder als Hohlstruktur mit hergeleiteten, effektiven Steifigkeiten. Die entwickelten Module genügen dem Anspruch einer leichtgewichtigen und materialeffizienten Konstruktion. Wesentliche Einwirkungen auf Parabolschalen sind dabei Eigen‐, Wind‐ und antriebsbedingte Torsionslasten, welche als lokale und globale Lastansätze dargestellt werden und deren Einfluss auf die Auslegung der Schalen beschrieben wird.
Gradientenbetontechnologie
Authors: Wörner Mark , Schmeer Daniel , Schuler Benjamin , Pfinder Julian , Garrecht Harald , Sawodny Oliver , Sobek Werner 
Published: December 2016

AbstractGemäß dem Prinzip form follows force fokussiert das DFG‐Schwerpunktprogramm (SPP) 1542 – Leicht Bauen mit Beton – auf die Bereitstellung beanspruchungsgerechter und ressourcenschonender Konstruktionselemente. Angesichts der in ihrer äußeren Form definierten Bauteile wie Decken, Wände und Stützen muss dieses Konzept neben der Anpassung der äußeren Form an die Beanspruchungssituation systematisch um die zielgerichtete Gestaltung der inneren Struktur der Bauteile erweitert werden. Die Technologie des Gradientenbetons bietet hierbei die Möglichkeit, den inneren Aufbau von Betonbauteilen auf die vorliegenden statischen Beanspruchungen und/oder das bauphysikalische Belastungsprofil auszurichten. Die hohen Anforderungen der Gradientenbetontechnologie machen dabei einen ganzheitlichen Ansatz von der Mischungsentwicklung über den Bauteilentwurf bis zur automatisierten Herstellung der Bauteile erforderlich. Durch die Kombination der unterschiedlichen Kompetenzbereiche der Institute für Leichtbau Entwerfen und Konstruieren (ILEK), Werkstoffe im Bauwesen (IWB) und Systemdynamik (ISYS) der Universität Stuttgart konnte eine vollständige Prozesskette zur Herstellung von funktional gradierten Betonbauteilen realisiert werden. Dadurch können gewichtsreduzierte, energieminimierte und vollständig rezyklierbare Betonbauteile entworfen und hergestellt werden.
Application of a liquid chromatography–tandem mass spectrometry method to the pharmacokinetics, tissue distribution and excretion in the study of anemoside B4, a novel antiviral agent candidate, in rats
Authors: He Mingyu , Ouyang Hui , He Mingzhen , Tan Ting , Li Junmao , Zhang Xiaoyong , Jia Jia , Feng Yulin , Yang Shilin 
Published: December 2016

AbstractA simple, sensitive and reliable LC–MS/MS method was developed and validated for the quantification of anemoside B4, a potential antiviral constituent isolated from Pulsatilla chinensis in rat plasma, tissue, bile, urine and feces. All biological samples were prepared by protein precipitation method, and ginsenoside‐Rg1 was chosen as the internal standard (IS). The analyte and IS were separated using a C18 column (2.1 × 50 mm, 1.8 μm) and a mobile phase consisting of 0.1% formic acid in water (v/v) and acetonitrile running at a flow rate of 0.2 mL/min for 5 min. The multiple reaction monitoring transitions were monitored at m/z 1219.5–749.5 for anemoside B4 and 845.4–637.4 for ginsenoside‐Rg1 in electrospray ionization negative mode. The calibration curve was linear in the range of 10–2000 ng/mL for all biological matrices with a lower limit of quantification of 10 ng/mL. The validated method was successfully applied to a pharmacokinetics, tissue distribution and excretion study. These preclinical data will be beneficial for further development of anemoside B4 in future studies.
Comparative Analysis of Synthetic Natural Gas versus Hydrogen Production from Bagasse
Authors: Michailos Stavros , Parker David , Webb Colin 
Published: December 2016

AbstractA rigorous and comparative evaluation of two biomass‐to‐gases (BtG) conversion routes was performed and, according to this outcome, it is suggested which of the options evaluated is most desirable. These options, the hydrogen and synthetic natural gas (SNG) production, were designed in Aspen Plus process simulation software. Sugar cane bagasse was considered as feedstock. Mass and energy balance data were extracted from the simulations, and consequently thermodynamic (exergy analysis), economic (financial and uncertainty analysis), and environmental (CO2 emissions) evaluations were carried out. Exergy and environmental analysis favor the SNG production while the hydrogen route provides higher profits.
{110}‐Terminated Square‐Shaped Gold Nanoplates and Their Electrochemical Surface Reactivity
Authors: Chen Ying , Milenkovic Srdjan , Hassel Achim Walter 
Published: December 2016

AbstractSingle‐crystalline Au nanoplates with a square shape and unique {110} facets were synthesized through directional eutectoid decomposition. The average edge length and thickness are 70–100 nm and 20–25 nm, respectively. The surface of the nanoplates was cleaned by deposition/dissolution of PbO2 in an alkaline medium. Furthermore, surface‐sensitive electrochemical reactions further confirmed the predominance of {110} crystalline facets in the Au nanoplates. With respect to the high ratio of the active {110} surface, this material is an interesting electrocatalyst in multi‐electron reactions such as oxygen reduction or glucose oxidation reactions.
Hydrothermal Synthesis of 3D Porous Structure Bi2WO6/Reduced Graphene Oxide Hydrogels for Enhancing Supercapacitor Performance
Authors: Zheng Huajun , Yang Guang , Chen Sanming , Jia Yi 
Published: December 2016

AbstractThree‐dimensional (3D) porous Bi2WO6/reduced graphene oxide hydrogels (BWO/rGO HGs) have been prepared via a facile one‐pot hydrothermal process for supercapacitor applications. Compared with the pristine Bi2WO6 electrode, the 3D porous BWO/rGO HGs exhibit much higher capacitive performances with a specific capacitance of 268.7 F g−1 at a current density of 0.75 A g−1 and good cycling stability with 81% capacitance retention after 1000 cycles at 3 A g−1. The remarkable electrochemical properties could be attributed to unique architecture of 3D porous rGO HGs supported Bi2WO6, which provided an excellent electrical conductivity substrate and more channels for ions diﬀusion. The results indicate that a new synthesis route of 3D porous structure hydrogel loaded binary metal oxide have potential applications in energy storage device.
Self‐Doped Oligoaniline Electrochromic Devices: Fabrication and Effect of the Oligoaniline Molecular Architecture
Authors: Gong Chen , Yang Jiping , Cao Linyu , Gao Yuchong 
Published: December 2016

AbstractA series of self‐doped oligoaniline derivatives, that is, carboxyl‐capped tetraaniline (HOOC‐(Ani)4‐COOH), carboxyl‐capped pentaaniline (HOOC‐(Ani)5‐COOH), carboxyl‐capped hexaaniline (HOOC‐(Ani)6‐COOH), and carboxyl‐capped star‐shaped tetraaniline (Tri‐(Ani)4‐COOH) in leucoemeraldine base state, were synthesized and characterized. The number of the aniline units was varied and a star‐shaped structure was designed to detect the influence of the molecular architecture on the electrochromic properties. The introduction of carboxylic groups into oligoaniline derivatives produced intermolecular hydrogen bonds, which contributed to their self‐doping capability. As a result, these oligoaniline derivatives presented reversible electrochromic properties at pH≥7, which could not be seen in pristine oligoanilines or polyanilines. Then, these oligoaniline derivatives were fabricated into electrochromic devices without an external acid dopant in the assembling process. Comprehensive electrochemical tests were conducted to investigate their electrochromic properties. The resulting devices showed good performances in spectroscopic, electrochemical, and in situ tests. Increasing the chain length contributed to an improved optical contrast, coloration efficiency, response time, and cycling stability. Meanwhile, introducing a star‐shaped structure also led to a better electrochromic performance. Moreover, electrochemical impedance spectroscopy and AFM tests were used to explore the mechanism to understand how the star‐shaped molecule facilitated the redox process.
Microarray Analysis of Antibodies Induced with Synthetic Antitumor Vaccines: Specificity against Diverse Mucin Core Structures
Authors: Pett Christian , Cai Hui , Liu Jia , Palitzsch Björn , Schorlemer Manuel , Hartmann Sebastian , Stergiou Natascha , Lu Mengji , Kunz Horst , Schmitt Edgar , Westerlind Ulrika 
Published: December 2016

AbstractGlycoprotein research is pivotal for vaccine development and biomarker discovery. Many successful methodologies for reliably increasing the antigenicity toward tumor‐associated glycopeptide structures have been reported. Deeper insights into the quality and specificity of the raised polyclonal, humoral reactions are often not addressed, despite the fact that an immunological memory, which produces antibodies with cross‐reactivity to epitopes exposed on healthy cells, may cause autoimmune diseases. In the current work, three MUC1 antitumor vaccine candidates conjugated with different immune stimulants are evaluated immunologically. For assessment of the influence of the immune stimulant on antibody recognition, a comprehensive library of mucin 1 glycopeptides (>100 entries) is synthesized and employed in antibody microarray profiling; these range from small tumor‐associated glycans (TN, STN, and T‐antigen structures) to heavily extended O‐glycan core structures (type‐1 and type‐2 elongated core 1–3 tri‐, tetra‐, and hexasaccharides) glycosylated in variable density at the five different sites of the MUC1 tandem repeat. This is one of the most extensive glycopeptide libraries ever made through total synthesis. On tumor cells, the core 2 β‐1,6‐N‐acetylglucosaminyltransferase‐1 (C2GlcNAcT‐1) is down‐regulated, resulting in lower amounts of the branched core 2 structures, which favor formation of linear core 1 or core 3 structures, and in particular, truncated tumor‐associated antigen structures. The core 2 structures are commonly found on healthy cells and the elucidation of antibody cross‐reactivity to such epitopes may predict the tumor‐selectivity and safety of synthetic vaccines. With the extended mucin core structures in hand, antibody cross‐reactivity toward the branched core 2 glycopeptide epitopes is explored. It is observed that the induced antibodies recognize MUC1 peptides with very high glycosylation site specificity. The nature of the antibody response is characteristically different for antibodies directed to glycosylation sites in either the immune‐dominant PDTR or the GSTA domain. All antibody sera show high reactivity to the tumor‐associated saccharide structures on MUC1. Extensive glycosylation with branched core 2 structures, typically found on healthy cells, abolishes antibody recognition of the antisera and suggests that all vaccine conjugates preferentially induce a tumor‐specific humoral immune response.