bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dikalium‐1,1′‐dinitramino‐5,5′‐bistetrazolat – ein Primärsprengstoff mit schneller Detonation und hoher Initiierungsleistung
Authors: Fischer Dennis , Klapötke Thomas M. , Stierstorfer Jörg 
Published: July 2014

AbstractAusreichend leistungsfähige Primärsprengstoffe wie Bleiazid basieren oft auf giftigen Schwermetallen, die es zu ersetzen gilt. Eine neue potenziell geeignete Verbindung, Dikalium‐1,1′‐dinitramino‐5,5′‐bistetrazolat (K2DNABT), wurde ausgehend von Dimethylcarbonat, Hydrazin und Glyoxal hergestellt und chemisch (z. B. durch Röntgenkristallstruktur‐ und Elementaranalyse sowie NMR‐ und Schwingungsspektroskopie) sowie auf ihre physikochemischen Eigenschaften (z. B. auf Reibe‐, Schlag‐, elektrostatische Empfindlichkeit und thermische Stabilität) hin analysiert. K2DNABT zeigt eine geeignete thermische und mechanische Stabilität zur Verwendung als Primärsprengstoff. Die hohe Dichte (2.11 g cm−3) und Bildungswärme (326 kJ mol−1) resultieren in einer hohen berechneten Detonationsgeschwindigkeit (8330 m s−1) und einem hohen Detonationsdruck (311 kbar). Diese eindrucksvollen Werte wurden mithilfe geeigneter experimenteller Tests verifiziert.
Plasmon‐Assisted Water Splitting Using Two Sides of the Same SrTiO3 Single‐Crystal Substrate: Conversion of Visible Light to Chemical Energy
Authors: Zhong Yuqing , Ueno Kosei , Mori Yuko , Shi Xu , Oshikiri Tomoya , Murakoshi Kei , Inoue Haruo , Misawa Hiroaki 
Published: July 2014

AbstractA plasmon‐induced water splitting system that operates under irradiation by visible light was successfully developed; the system is based on the use of both sides of the same strontium titanate (SrTiO3) single‐crystal substrate. The water splitting system contains two solution chambers to separate hydrogen (H2) and oxygen (O2). To promote water splitting, a chemical bias was applied by regulating the pH values of the chambers. The quantity of H2 evolved from the surface of platinum, which was used as a reduction co‐catalyst, was twice the quantity of O2 evolved from an Au‐nanostructured surface. Thus, the stoichiometric evolution of H2 and O2 was clearly demonstrated. The hydrogen‐evolution action spectrum closely corresponds to the plasmon resonance spectrum, indicating that the plasmon‐induced charge separation at the Au/SrTiO3 interface promotes water oxidation and the subsequent reduction of a proton on the backside of the SrTiO3 substrate. The chemical bias is significantly reduced by plasmonic effects, which indicates the possibility of constructing an artificial photosynthesis system with low energy consumption.
Helical Packing of Nanoparticles Confined in Cylindrical Domains of a Self‐Assembled Block Copolymer Structure
Authors: Sanwaria Sunita , Horechyy Andriy , Wolf Daniel , Chu Che‐Yi , Chen Hsin‐Lung , Formanek Petr , Stamm Manfred , Srivastava Rajiv , Nandan Bhanu 
Published: July 2014

AbstractTheoretical models predict that a variety of self‐assembled structures of closely packed spherical particles may result when they are confined in a cylindrical domain. In the present work we demonstrate for the first time that the polymer‐coated nanoparticles confined in the self‐assembled cylindrical domains of a block copolymer pack in helical morphology, where we can isolate individual fibers filled with helically arranged nanoparticles. This finding provides unique possibilities for fundamental as well as application‐oriented research in similar directions.
From Perylene to a 22‐Ring Aromatic Hydrocarbon in One‐Pot
Authors: Schuler Bruno , Collazos Sara , Gross Leo , Meyer Gerhard , Pérez Dolores , Guitián Enrique , Peña Diego 
Published: July 2014

AbstractThe successful synthesis of a threefold symmetric C78H36 molecule with 22 fused benzene rings is reported. This clover‐shaped nanographene was characterized on an ultrathin insulating film with atomic resolution by scanning probe microscopy.
The CH Activation/1,3‐Diyne Strategy: Highly Selective Direct Synthesis of Diverse Bisheterocycles by RhIII Catalysis
Authors: Yu Da‐Gang , de Azambuja Francisco , Gensch Tobias , Daniliuc Constantin G. , Glorius Frank 
Published: July 2014

AbstractThe reactivity and selectivity of 1,3‐diynes in transition‐metal‐catalyzed CH activation is exploited to quickly assemble diverse polysubstituted bisheterocycles, which are highly important but difficult to access. By using the CH activation/1,3‐diyne strategy, we overcame the challenges of selectivity (chemo‐, regio‐, and mono‐/diannulation) and constructed seven kinds of adjacent bisheterocycles through the formation of four strategic bonds with high efficiency and high selectivity.
Accessing Zinc Monohydride Cations through Coordinative Interactions
Authors: Lummis Paul A. , Momeni Mohammad R. , Lui Melanie W. , McDonald Robert , Ferguson Michael J. , Miskolzie Mark , Brown Alex , Rivard Eric 
Published: July 2014

AbstractWe present isolable examples of formal zinc hydride cations supported by N‐heterocyclic carbene (NHC) donors, and investigate the dual electrophilic and nucleophilic (hydridic) character of the encapsulated [ZnH]+ units by computational methods and preliminary hydrosilylation catalysis.
Trinuclear Gold Clusters Supported by Cyclic (alkyl)(amino)carbene Ligands: Mimics for Gold Heterogeneous Catalysts
Authors: Jin Liqun , Weinberger David S. , Melaimi Mohand , Moore Curtis E. , Rheingold Arnold L. , Bertrand Guy 
Published: July 2014

AbstractThe synthesis of air‐ and moisture‐stable trinuclear mixed‐valence gold(I)/gold(0) clusters is described. They promote the catalytic carbonylation of amines under relatively mild conditions. The synthetic route leading to the trinuclear clusters involves a simple ligand exchange from the readily available μ3‐oxo‐[(Ph3PAu)3O]+ complex. This synthetic method paves the way for the preparation of a variety of mixed‐valence gold(I)/gold(0) polynuclear clusters. Moreover, the well‐defined nature of the complexes demonstrates that the catalytic process involves a rare example of a definite change of oxidation state of gold from Au02AuI to AuI3.
Development of a pressure–volume–temperature measurement method for thermoplastic materials based on compression injection molding
Authors: Szabó Ferenc , Kovács József G. 
Published: July 2014

ABSTRACTThe pressure–volume–temperature (pvT) relationship of polymers is vitally important information in designing and manufacturing polymers. Because of the special behavior of polymers, however, it is extremely difficult to accurately measure the data in a way that matches the thermal conditions of injection molding, which is one of the most widely used processing methods. As neither widely used, commercially available measuring devices, nor special equipment mentioned in the literature can fully satisfy this need, it was decided to build a new device able to determine the pvT relationship during injection molding of the polymer. The new device consists of a special mold that can be used on an injection molding machine and a data collection system connected to it. With the help of this device, pvT data can be measured during processing according to the thermal conditions of injection molding, and also considerably faster, and even in an industrial setting. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 41140.
De Novo Synthesis of Imidazoles by Visible‐Light‐Induced Photocatalytic Aerobic Oxidation/[3+2] Cycloaddition/Aromatization Cascade
Authors: Deng Qiao‐Hui , Zou You‐Quan , Lu Liang‐Qiu , Tang Zi‐Long , Chen Jia‐Rong , Xiao Wen‐Jing 
Published: July 2014

AbstractA visible‐light‐induced photocatalytic aerobic oxidation/[3+2] cycloaddition/aromatization cascade between secondary amines and isocyanides has been successfully developed. The reaction provides a general and efficient access to diversely substituted imidazoles and imidazo[1,5‐a]quinoxalin‐4(5 H)‐ones in good yields under mild conditions.
Anthropogenic CO2 as a feedstock for the production of algal‐based biofuels
Authors: Lively Ryan P. , Sharma Pradeep , McCool Benjamin A. , Beaudry‐Losique Jacques , Luo Dexin , Thomas Valerie M. , Realff Matthew , Chance Ronald R. 
Published: July 2014

AbstractBiofuels have great potential as low‐carbon transportation fuel alternatives and can be essentially drop‐in fuels for existing fossil‐fuel‐based transportation infrastructures. Thus, the incentives for biofuel development are large but there are a number of issues: competition with food, land use, fresh water use, economics in comparison to fossil fuels, and achievable reduction in carbon footprint in comparison to other transportation fuel options. This paper focuses on utilization of anthropogenic CO2 from power plants in advanced biofuel production systems and the integration of those systems with various power plant designs. In doing so, the boundary of the life cycle analysis is expanded to include the power plant CO2 source, considering specifically natural gas, pulverized coal, supercritical coal, and IGCC (integrated gasification combined cycle) options. The carbon footprints for the integrated systems are compared to CCS (carbon capture and sequestration) as well as the current status quo of CO2 release to the atmosphere. The integrated biorefinery‐power plant options considered here are shown to be greatly advantaged compared to the status quo (no CO2 capture) carbon footprint, and also advantaged with respect to CCS as long as the biorefinery alone operates with a carbon footprint that is 75% or more lower than that of gasoline. In addition, the projected carbon footprint values, and estimated production costs, for algal‐based ethanol are favorable compared to other transportation fuel options including corn‐based ethanol and electricity. © 2014 Society of Chemical Industry and John Wiley & Sons, Ltd
Advice from Experience: Communicating Incomplete Information Incompletely
Authors: Benjamin Daniel , Budescu David V. 
Published: July 2014

ABSTRACTPeople utilize advice often with limited knowledge of their advisers' expertise. We examine the effects of learning mode on giving and receiving advice in two separate but linked studies. Advisers learned about a choice between two lotteries from either description or experience before writing advice. The decision makers only read this advice before choosing between the options. Advisers who learned from description provided better summarized information more confidently and were ultimately preferred by the decision makers. Advisers who learned from experience were more risk averse and tended to describe their experiences signaling their informational deficiency. Decision makers were sensitive to the subtle differences between the two cases, even when not informed of their adviser's learning mode. We discuss the implications of the adviser's learning mode within the context of various decision environments and the risk‐uncertainty continuum. Advisers perform under risk when learning from description compared with performing under uncertainty when learning from experience. Copyright © 2014 John Wiley & Sons, Ltd.
Elektrochemische Potentialmessungen zum Auffinden von Bewehrungskorrosion
Authors: Mayer Till Felix 
Published: July 2014

AbstractSeit Erscheinen der ersten Ausgabe des Merkblatts B3 der DGZfP im Jahre 1990 hat sich die Potentialfeldmessung als Standardverfahren zum Auffinden von Bewehrungskorrosion im Rahmen von Zustandserfassungen und Instandsetzungsplanungen etabliert. Im Jahr 2014 erscheint eine überarbeitete Fassung des Merkblatts, die sich zum Ziel gesetzt hat, durch Konkretisierung der Anforderungen an die Qualifikation des Prüfpersonals, die Ausschreibung, Durchführung und Interpretation der Messungen eine Vergleichmäßigung der Qualität durchgeführter Potentialfeldmessungen zu erreichen. Wesentliche Neuerungen gegenüber früheren Fassungen des Merkblatts werden im Folgenden kurz dargestellt.Electrochemical half‐cell potential measurements for the detection of reinforcement corrosion – New version of the bulletin B3 of the German Society for Non‐destructive Testing DGZfPSince the publication of the first version of the bulletin in 1990 half‐cell potential measurement has been established as a standard test method to detect reinforcement corrosion. In 2014 a new version of the bulletin will be published. Some of the main differences with respect to the former versions will briefly be presented in this paper.
Comparison of genome‐wide selection strategies to identify furfural tolerance genes in Escherichia coli
Authors: Glebes Tirzah Y. , Sandoval Nicholas R. , Gillis Jacob H. , Gill Ryan T. 
Published: July 2014

ABSTRACTEngineering both feedstock and product tolerance is important for transitioning towards next‐generation biofuels derived from renewable sources. Tolerance to chemical inhibitors typically results in complex phenotypes, for which multiple genetic changes must often be made to confer tolerance. Here, we performed a genome‐wide search for furfural‐tolerant alleles using the TRackable Multiplex Recombineering (TRMR) method (Warner et al. (2010), Nature Biotechnology), which uses chromosomally integrated mutations directed towards increased or decreased expression of virtually every gene in Escherichia coli. We employed various growth selection strategies to assess the role of selection design towards growth enrichments. We also compared genes with increased fitness from our TRMR selection to those from a previously reported genome‐wide identification study of furfural tolerance genes using a plasmid‐based genomic library approach (Glebes et al. (2014) PLOS ONE). In several cases, growth improvements were observed for the chromosomally integrated promoter/RBS mutations but not for the plasmid‐based overexpression constructs. Through this assessment, four novel tolerance genes, ahpC, yhjH, rna, and dicA, were identified and confirmed for their effect on improving growth in the presence of furfural. Biotechnol. Bioeng. 2015;112: 129–140. © 2014 Wiley Periodicals, Inc.
Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO2 Reduction
Authors: Chan Karen , Tsai Charlie , Hansen Heine A. , Nørskov Jens K. 
Published: July 2014

AbstractLinear scaling relations between reaction intermediates pose a fundamental limitation to the CO2 reduction activity of transition‐metal catalysts. To design improved catalysts, we propose to break these scaling relations by binding key reaction intermediates to different sites. Using density functional theory, we demonstrate this principle in the active edge sites in MoS2, MoSe2, and Ni‐doped MoS2. These edges show the unique property of selectively binding COOH and CHO to bridging S or Se atoms and CO to the metal atom. DFT calculations suggest a significant improvement in CO2 reduction activity over the transition metals. Our results point to the broader application of the active edge sites of transition‐metal dichalcogenides in complex electrochemical processes.
High‐Performance Sodium‐Ion Batteries and Sodium‐Ion Pseudocapacitors Based on MoS2/Graphene Composites
Authors: Wang Yun‐Xiao , Chou Shu‐Lei , Wexler David , Liu Hua‐Kun , Dou Shi‐Xue 
Published: July 2014

AbstractSodium‐ion energy storage, including sodium‐ion batteries (NIBs) and electrochemical capacitive storage (NICs), is considered as a promising alternative to lithium‐ion energy storage. It is an intriguing prospect, especially for large‐scale applications, owing to its low cost and abundance. MoS2 sodiation/desodiation with Na ions is based on the conversion reaction, which is not only able to deliver higher capacity than the intercalation reaction, but can also be applied in capacitive storage owing to its typically sloping charge/discharge curves. Here, NIBs and NICs based on a graphene composite (MoS2/G) were constructed. The enlarged d‐spacing, a contribution of the graphene matrix, and the unique properties of the MoS2/G substantially optimize Na storage behavior, by accommodating large volume changes and facilitating fast ion diffusion. MoS2/G exhibits a stable capacity of approximately 350 mAh g−1 over 200 cycles at 0.25 C in half cells, and delivers a capacitance of 50 F g−1 over 2000 cycles at 1.5 C in pseudocapacitors with a wide voltage window of 0.1–2.5 V.
Stereodivergent Organocatalytic Intramolecular Michael Addition/Lactonization for the Asymmetric Synthesis of Substituted Dihydrobenzofurans and Tetrahydrofurans
Authors: Belmessieri Dorine , de la Houpliere Alix , Calder Ewen D. D. , Taylor James E. , Smith Andrew D. 
Published: July 2014

AbstractA stereodivergent asymmetric Lewis base catalyzed Michael addition/lactonization of enone acids into substituted dihydrobenzofuran and tetrahydrofuran derivatives is reported. Commercially available (S)‐(−)‐tetramisole hydrochloride gives products with high syn diastereoselectivity in excellent enantioselectivity (up to 99:1 d.r.syn/anti, 99 % eesyn), whereas using a cinchona alkaloid derived catalyst gives the corresponding anti‐diastereoisomers as the major product (up to 10:90 d.r.syn/anti, 99 % eeanti).
Characterization of a Robust CoII Fluorescent Complex Deposited Intact On HOPG
Authors: Heras‐Ojea María José , Mañeru Daniel Reta , Rosado Lidia , Zuazo Juan Rubio , Castro German R. , Tewary Subrata , Rajaraman Gopalan , Aromí Guillem , Jiménez Erika , Sañudo E. Carolina 
Published: July 2014

AbstractThe new diimine fluorescent ligand ACRI‐1 based on a central acridine yellow core is reported along with its coordination complex [Co2(ACRI‐1)2] (1), a fluorescent weak ferromagnet. Due to the strong fluorescence of the acridine yellow fluorophore, it is not completely quenched when the ligand is coordinated to CoII. The magnetic properties of bulk complex 1 and its stability in solution have been studied. Complex 1 has been deposited on highly ordered pyrolitic graphite (HOGP) from solution. The thin films prepared have been characterized by AFM, time‐of‐flight secondary ion mass spectrometry (TOF‐SIMS), grazing incidence X‐ray diffraction (GIXRD), X‐ray absorption spectroscopy (XAS), X‐ray magnetic circular dichroism (XMCD) and theoretical calculations. The data show that the complex is robust and remains intact on the surface of graphite.
Hybrid Mesoporous Silica Nanoparticles with pH‐Operated and Complementary H‐Bonding Caps as an Autonomous Drug‐Delivery System
Authors: Théron Christophe , Gallud Audrey , Carcel Carole , Gary‐Bobo Magali , Maynadier Marie , Garcia Marcel , Lu Jie , Tamanoi Fuyuhiko , Zink Jeffrey I. , Wong Chi Man Michel 
Published: July 2014

AbstractMesoporous silica nanoparticles (MSNPs) are functionalized with molecular‐recognition sites by anchoring a triazine or uracil fragment on the surface. After loading these MSNPs with dyes (propidium iodide or rhodamine B) or with a drug (camptothecin, CPT) they are capped by the complementary fragments, uracil and adenine, respectively, linked to the bulky cyclodextrin ring. These MSNPs are pH‐sensitive and indeed, the dye release was observed at acidic pH by continuously monitored fluorescence spectroscopy studies. On the other hand, no dye leakage occurred at neutral pH, hence meeting the non‐premature requirement to minimize side effects. In vitro studies were performed and confocal microscopy images demonstrate the internalization of the MSNPs and also dye release in the cells. To investigate the drug‐delivery performance, the cytotoxicity of CPT‐loaded nanoparticles was tested and cell death was observed. A remarkably lower amount of loaded CPT in the MSNPs (more than 40 times less) proved to be as efficient as free CPT. These results not only demonstrate the drug release after pore opening under lysosomal pH, but they also show the potential use of these MSNPs to significantly decrease the amount of the administered drug.
Cesium Carbonate Catalyzed Chemoselective Hydrosilylation of Aldehydes and Ketones under Solvent‐Free Conditions
Authors: Zhao Mengdi , Xie Weilong , Cui Chunming 
Published: July 2014

AbstractCs2CO3 has been found to be an efficient and chemoselective catalyst for reduction of aldehydes and ketones to alcohols with one equivalent of Ph2SiH2 as the reductant under solvent‐free conditions. Most of the aldehydes employed can be effectively hydrosilated quantitatively to give the corresponding silyl ethers in 2 h at room temperature, whereas the hydrosilylation of ketones proceeded smoothly at 80 °C. The catalyst system tolerates a number of functional groups including halogen, alkoxyl, olefin, ester, nitro, cyano, and heteroaromatic groups; the selective hydrosilylation of aldehydes in the presence of ketone can be effectively controlled by temperature; and hydrosilylation of α,β‐unsaturated carbonyls resulted in the 1,2‐addition products. The catalytic hydrosilylation of suitable dicarbonyls can be applied to the synthesis of poly(silyl ether)s with a high molecular weight and narrow molecular distribution.
Combinatorial Multicomponent Access to Natural‐Products‐Inspired Peptidomimetics: Discovery of Selective Inhibitors of Microbial Metallo‐aminopeptidases
Authors: Méndez Yanira , Pérez‐Labrada Karell , González‐Bacerio Jorge , Valdés Gilberto , de los Chávez María Á. , Osuna Joel , Charli Jean‐Louis , Pascual Isel , Rivera Daniel G. 
Published: July 2014

AbstractThe development of selective inhibitors of microbial metallo‐aminopeptidases is an important goal in the pursuit of antimicrobials for therapeutic applications. Herein, we disclose a combinatorial approach relying on two Ugi reactions for the generation of peptidomimetics inspired by natural metallo‐aminopeptidase inhibitors. The library was screened for inhibitory activity against the neutral metallo‐aminopeptidase of Escherichia coli (ePepN) and the porcine kidney cortex metallo‐aminopeptidase (pAPN), which was used as a model of the M1‐aminopeptidases of mammals. Six compounds showed typical dose–response inhibition profiles toward recombinant ePepN, with two of them being very potent and highly selective for ePepN over pAPN. Another compound showed moderate ePepN inhibition but total selectivity for this bacterial enzyme over its mammalian orthologue at concentrations of physiological relevance. This strategy proved to be useful for the identification of lead compounds for further optimization and development.