bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Versatile Fluoro‐Containing Low‐Bandgap Polymer for Efficient Semitransparent and Tandem Polymer Solar Cells
Authors: Chang Chih‐Yu , Zuo Lijian , Yip Hin‐Lap , Li Yongxi , Li Chang‐Zhi , Hsu Chain‐Shu , Cheng Yen‐Ju , Chen Hongzheng , Jen Alex K.‐Y. 
Published: July 2013

The versatility of a fluoro‐containing low band‐gap polymer, poly[2,6‐(4,4‐bis(2‐ethylhexyl)‐4H‐cyclopenta[2,1‐b;3,4‐b’]dithiophene)‐alt‐4,7‐(5‐fluoro‐2,1,3‐benzothia‐diazole)] (PCPDTFBT) in organic photovoltaics (OPVs) applications is demonstrated. High boiling point 1,3,5‐trichlorobenzene (TCB) is used as a solvent to manipulate PCPDTFBT:[6,6]‐phenyl‐C71‐butyric acid methyl ester (PC71BM) active layer morphology to obtain high‐performance single‐junction devices. It promotes the crystallization of PCPDTFBT polymer, thus improving the charge‐transport properties of the active layer. By combining the morphological manipulation with interfacial optimization and device engineering, the single‐junction device exhibits both good air stability and high power‐conversion efficiency (PCE, of 6.6%). This represents one of the highest PCE values for cyclopenta[2,1‐b;3,4‐b’]dithiophene (CPDT)‐based OPVs. This polymer is also utilized for constructing semitransparent solar cells and double‐junction tandem solar cells to demonstrate high PCEs of 5.0% and 8.2%, respectively.
Genome‐wide association analysis accounting for environmental factors through propensity‐score matching: Application to stressful live events in major depressive disorder
Authors: Power Robert A. , Cohen‐Woods Sarah , Ng Mandy Y. , Butler Amy W. , Craddock Nick , Korszun Ania , Jones Lisa , Jones Ian , Gill Michael , Rice John P. , Maier Wolfgang , Zobel Astrid , Mors Ole , Placentino Anna , Rietschel Marcella , Aitchison Katherine J. , Tozzi Federica , Muglia Pierandrea , Breen Gerome , Farmer Anne E. , McGuffin Peter , Lewis Cathryn M. , Uher Rudolf 
Published: July 2013

AbstractStressful life events are an established trigger for depression and may contribute to the heterogeneity within genome‐wide association analyses. With depression cases showing an excess of exposure to stressful events compared to controls, there is difficulty in distinguishing between “true” cases and a “normal” response to a stressful environment. This potential contamination of cases, and that from genetically at risk controls that have not yet experienced environmental triggers for onset, may reduce the power of studies to detect causal variants. In the RADIANT sample of 3,690 European individuals, we used propensity score matching to pair cases and controls on exposure to stressful life events. In 805 case–control pairs matched on stressful life event, we tested the influence of 457,670 common genetic variants on the propensity to depression under comparable level of adversity with a sign test. While this analysis produced no significant findings after genome‐wide correction for multiple testing, we outline a novel methodology and perspective for providing environmental context in genetic studies. We recommend contextualizing depression by incorporating environmental exposure into genome‐wide analyses as a complementary approach to testing gene‐environment interactions. Possible explanations for negative findings include a lack of statistical power due to small sample size and conditional effects, resulting from the low rate of adequate matching. Our findings underscore the importance of collecting information on environmental risk factors in studies of depression and other complex phenotypes, so that sufficient sample sizes are available to investigate their effect in genome‐wide association analysis. © 2013 Wiley Periodicals, Inc.
Rhodium‐Catalyzed Synthesis and Reactions of N‐Acylphthalimides
Authors: Li Guangzhe , Arisawa Mieko , Yamaguchi Masahiko 
Published: July 2013

AbstractA complex of [RhH(PPh3)4] and 1,2‐bis(diphenylphosphino)benzene (dppBz) catalyzes the syntheses and reactions of N‐acylphthalimides. N‐Acylphthalimides were synthesized by the imidation of thioesters or acid fluorides by N‐(organothio)phthalimides. CN bond cleavage in N‐acylphthalimides was also catalyzed by the same rhodium complex. Thioesters and N‐(phosphinoyl)phthalimides were obtained from reactions with phosphinothioates; acid fluorides and N‐(tetrafluoroaryl)phthalimides were obtained from reactions with substituted pentafluorobenzenes.
Proximity risk assessment for two sensitive chemical plants based on the accident scenario consequence analysis
Authors: Maria Gheorghe , Dinculescu Daniel , Khwayyir Hasan Hadi Salman 
Published: July 2013

ABSTRACTPetrochemical complexes include high risk interconnected plants processing large quantities of dangerous/flammable substances, complex reactors of high thermal sensitivity operated under severe conditions of high productivity and associated equipment, vessels or separation units operating at intense temperature and pressures. Such plant design/operation problems contribute quite frequently to the occurrence of small incidents or rare major accidents including domino effects. The study applies classical boiling liquid expanding vapour explosion fire and toxic puff release models to evaluate the effects and consequences of different accident scenarios involving two neighbouring risk plants, with exemplifications for the aniline and maleic anhydride synthesis plants. A proposed joint probability index of human casualties, related to thermal radiation doses and toxic material released around plants, points out the influence of production capacity and plant proximity on the severity of accident consequences and domino‐effect occurrence. © 2013 Curtin University of Technology and John Wiley & Sons, Ltd.
Benzenoid Polycyclic Hydrocarbons with an Open–Shell Biradical Ground State
Authors: Sun Zhe , Zeng Zebing , Wu Jishan 
Published: July 2013

AbstractThis Focus Review describes the recent progress, from both theoretical and experimental perspectives, on four types of benzenoid polycyclic hydrocarbons with an open–shell biradical ground state: 1) acenes, 2) periacenes and anthenes, 3) zethrenes, and 4) extended p‐quinodimethane derivatives. These interesting molecules have provided excellent platforms to investigate the electronic structures of nanographenes and represent promising candidates for the next generation of molecule‐based materials in the field of electronics, spintronics, and non‐linear optics. The focus of this article will be put on the structural significance, the physical properties relevant to the open–shell electronic configurations, and potential applications.
Purification and characterization of a hydrolysis‐resistant lipase from Aspergillus terreus
Authors: Shi Hui , Meng Yao , Yang Min , Zhang Qinglian , Meng Yanfa 
Published: July 2013

AbstractLipase from Aspergillus terreus was purified to homogeneity using ammonium sulfate precipitation and chromatographies with Q‐Sepharose and Sephacryl S‐200. It showed a single band on SDS‐PAGE and IEF‐PAGE with a relative molecular mass of 37.2 kDa and pI of 3.2. Its glycoprotein nature was confirmed with the percentage of saccharides of 5.02% and 3.88% determined by the phenol/sulfuric acid and anthrone/ sulfuric acid methods, respectively. The lipase hydrolyzed both plant oils and animal oils, with the Km value for substrate p‐NPP of 16.42 mM at pH 6.0, 50 °C. The enzyme was tolerant in a wide range of pH (pH 3–12) with optimum activity at pH 4.0. It remained stable under the highest temperature of 65 °C, with maximal activity at 50 °C. Ca2+, Co2+, Mn2+, and Ni2+ stimulated enzyme activity, but Hg2+ caused inhibition. Detected detergents had no obvious effect on enzyme activity, except SDS, which stimulated the activity at lower concentrations but inhibited the activity at higher concentrations. The inhibitory effect on enzyme activity of phenylmethanesulfonyl fluoride revealed that the Ser was involved in catalysis. Saccharides had no obvious effect on enzyme activity but could enhance its thermostability. Furthermore, the enzyme was resistant to trypsin digestion.
Der Basistunnel Lyon‐Turin: Technische Aspekte eines großen grenzübergreifenden Projekts
Authors: Brino Lorenzo , Luchetti Elena , Chabert Alain , Rettighieri Marco 
Published: July 2013

AbstractDer grenzüberschreitende Abschnitt der neuen Eisenbahnverbindung Lyon‐Turin umfasst das ehrgeizigste Bauvorhaben des Projekts, die zukünftige Errichtung eines internationalen und über 57 km langen Tunnels, der unter den Alpen zwischen den Regionen Piemont und Savoie hindurchführen soll und auch drei spezielle Sicherheitsbereiche beinhaltet. Am 18. Dezember 2007 hat der französische Premierminister die Widmungsverfügung für den französischen Teil des grenzüberschreitenden Abschnitts unterzeichnet, während die Festlegung des neuen Streckenverlaufs im Susatal im Rahmen des Einreichprojekts noch ausgearbeitet und mit den örtlichen Vertretern abgesprochen wird. Er müsste im Jahr 2013 von der italienischen Regierung beschlossen werden. Die vorbereitenden Erkundungsarbeiten wurden auf französischer Seite im Jahr 2010 abgeschlossen, wobei drei Abfahrtsrampen über eine Gesamtlänge von mehr als 9 km im Maurienne‐Tal errichtet wurden. Auf italienischer Seite haben Ende 2012 die Grabungsarbeiten für den 7,5 km langen Maddalena‐Erkundungsstollen begonnen.The New Lyon‐Turin Line Base Tunnel: the technical aspects of a large cross‐border projectThe cross‐border section of the new Turin‐Lyon line involves the most important work of the project, which is the future construction of an international tunnel between Savoy and Piedmont that stretches more than 57 km beneath the Alps, including three underground safety stations.The French Prime Minister signed the Declaration of Public Utility for the French part of the cross‐border section on December 18, 2007, though the definition of the new alignment through the Susa Valley is still being discussed. The final design is in the development phase and should be approved by the Italian government during 2013.Preliminary works on the French side were completed in 2010 with the construction of three access tunnels totaling more than 9 km in the Maurienne Valley. Excavation of the 7.5‐km survey tunnel of Maddalena just began.The mission of LTF, promoter of the joint French‐Italian part of the international section under the Treaty of January, 29 2001, is to carry out studies and drive geotechnical surveys in order to provide the two governments with details about the scope of the work, its location and the methods to be employed.
Vorerkundung und Baufortschritt beim Brenner Basistunnel
Authors: Bergmeister Konrad 
Published: July 2013

AbstractBeim Brenner Basistunnel handelt es sich um einen flach verlaufenden Eisenbahntunnel. Die Tunnelverbindung zwischen Tulfes (Österreich) und Franzensfeste (Italien) weist eine Länge von 64 km auf, womit die weltlängste unterirdische Eisenbahnverbindung entsteht. Die maximale Längsneigung beträgt in den Hauptabschnitten 6,7‰. Mittig unterhalb der beiden Tunnelröhren befindet sich in einem Abstand von 11 m ein Erkundungsstollen. Dieser wird abschnittsweise vor dem Bau der Hautröhren ausgebrochen, um hauptsächlich das Gebirge zu erkunden. Dadurch können das Baurisiko vermindert und sowohl Baukosten als auch Bauzeiten optimiert werden. Beim Brenner Basistunnel werden gezielte materialtechnische Untersuchungen zur Wiederverwertung des Tunnelausbruchmaterials durchgeführt. Die Gesamtmenge des anfallenden Tunnelausbruchmaterials beträgt im verdichteten Zustand etwa 15,5 Mio m3.Am 18. April 2011 erteilten Österreich und Italien den Auftrag zur Hauptbauphase des Infrastrukturprojektes. Seither schreiten die Arbeiten an fünf Baustellen zügig voran. Es sind bereits 27 km von insgesamt etwa 200 km an Stollen und Tunnel ausgebrochen, etwa 70% davon werden maschinell vorgetrieben. Im Jahre 2025 soll mit dem Probebetrieb begonnen und Ende 2026 der Brenner Basistunnel in das europäische Bahnnetz eingebunden werden.Prospection and progress report for the Brenner Base TunnelThe Brenner base tunnel is a low‐gradient railway tunnel. The tunnel stretch from Tulfes (Austria) and Fortezza (Italy), at 64 km in length, will be the longest underground railway line in the world. The maximum gradient in the main sections of the tunnel amounts to 6,7‰. Between and eleven meters below the two main tubes runs the exploratory tunnel. It will be built in sections before beginning construction works on the main tubes, mainly to examine and prospect the rock. This reduces construction risk and optimizes construction costs and time. For the Brenner Base Tunnel, targeted studies in material technology have been undertaken concerning the recycling of spoil excavated from the tunnel. When compacted, the total volume of residual material excavated from the Brenner Base Tunnel will amount to some 15.5 million cubic metres.On April 18th, 2011 Austria and Italy gave the green light to the main construction phase of the infrastructure project. Since then work has proceeded swiftly on five different construction sites. Twenty‐seven km of smaller and larger tunnels out of a total of roughly 200 km have already been excavated, with a tunnel boring machine being used for about 70% of the work. Test operations are to begin in 2025 and the Brenner Base Tunnel should become part of the European railway network in 2026.
Expanding the metabolic engineering toolbox with directed evolution
Authors: Abatemarco Joseph , Hill Andrew , Alper Hal S. 
Published: July 2013

AbstractCellular systems can be engineered into factories that produce high‐value chemicals from renewable feedstock. Such an approach requires an expanded toolbox for metabolic engineering. Recently, protein engineering and directed evolution strategies have started to play a growing and critical role within metabolic engineering. This review focuses on the various ways in which directed evolution can be applied in conjunction with metabolic engineering to improve product yields. Specifically, we discuss the application of directed evolution on both catalytic and non‐catalytic traits of enzymes, on regulatory elements, and on whole genomes in a metabolic engineering context. We demonstrate how the goals of metabolic pathway engineering can be achieved in part through evolving cellular parts as opposed to traditional approaches that rely on gene overexpression and deletion. Finally, we discuss the current limitations in screening technology that hinder the full implementation of a metabolic pathway‐directed evolution approach.
Plant‐derived pharmaceuticals for the developing world
Authors: Hefferon Kathleen 
Published: July 2013

AbstractPlant‐produced vaccines and therapeutic agents offer enormous potential for providing relief to developing countries by reducing the incidence of infant mortality caused by infectious diseases. Vaccines derived from plants have been demonstrated to effectively elicit an immune response. Biopharmaceuticals produced in plants are inexpensive to produce, require fewer expensive purification steps, and can be stored at ambient temperatures for prolonged periods of time. As a result, plant‐produced biopharmaceuticals have the potential to be more accessible to the rural poor. This review describes current progress with respect to plant‐produced biopharmaceuticals, with a particular emphasis on those that target developing countries. Specific emphasis is given to recent research on the production of plant‐produced vaccines toward human immunodeficiency virus, malaria, tuberculosis, hepatitis B virus, Ebola virus, human papillomavirus, rabies virus and common diarrheal diseases. Production platforms used to express vaccines in plants, including nuclear and chloroplast transformation, and the use of viral expression vectors, are described in this review. The review concludes by outlining the next steps for plant‐produced vaccines to achieve their goal of providing safe, efficacious and inexpensive vaccines to the developing world.
Cost‐analysis of percutaneous pulmonary valve implantation compared to surgical pulmonary valve replacement
Authors: Vergales Jeffrey E. , Wanchek Tanya , Novicoff Wendy , Kron Irving L. , Lim D. Scott 
Published: July 2013

ObjectivesTo perform cost evaluation and economic modeling of percutaneous pulmonary valve implantation (PPVI) compared to surgical revision.BackgroundWhile, PPVI appears to be a viable alternative to surgical conduit revision in select patients with right ventricular outflow tract anomalies, its overall economic burden has yet to be determined.Methods and ResultsWe examined the first 17 patients who underwent PPVI at our institution and compared them with the most‐recently placed surgical valves. Economic data were obtained from the actual procedural and in‐hospital charges and used as the base estimates for 5‐ and 10‐year future modeling with appropriate sensitivity analysis. Median total hospital and procedural charges incurred by the patient were significantly higher for the surgical valve compared with PPVI ($126,406 ± $38,772 vs. $80,328 ± $17,387, P < 0.001). Median total societal charges were also higher for the surgical valve ($129,519 ± $39,021 vs. $80,939 ± $17,334, P < 0.001) owing to an average wage loss of $3,113 for surgical patients, contrasted to $611 who underwent PPVI, and a shorter length of stay (1.0 ± 0 vs. 5.7 ± 2.2, P <0.001) for PPVI. Sensitivity analysis determined that PPVI would need to fail at a rate of 17% per year (or 93% at 10 years) to lose its cost advantage.ConclusionsPPVI holds a significant cost advantage over the surgical approach, fewer hospital days, and incurs less patient wage loss. Furthermore, it would need to have a very high failure rate at 10 years to lose its cost advantage. © 2013 Wiley Periodicals, Inc.
Dehydrogenation Mechanism of Liquid Organic Hydrogen Carriers: Dodecahydro‐N‐ethylcarbazole on Pd(111)
Authors: Amende Max , Schernich Stefan , Sobota Marek , Nikiforidis Ioannis , Hieringer Wolfgang , Assenbaum Daniel , Gleichweit Christoph , Drescher Hans‐Jörg , Papp Christian , Steinrück Hans‐Peter , Görling Andreas , Wasserscheid Peter , Laurin Mathias , Libuda Jörg 
Published: July 2013

AbstractDodecahydro‐N‐ethylcarbazole (H12‐NEC) has been proposed as a potential liquid organic hydrogen carrier (LOHC) for chemical energy storage, as it combines both favourable physicochemical and thermodynamic properties. The design of optimised dehydrogenation catalysts for LOHC technology requires a detailed understanding of the reaction pathways and the microkinetics. Here, we investigate the dehydrogenation mechanism of H12‐NEC on Pd(111) by using a surface‐science approach under ultrahigh vacuum conditions. By combining infrared reflection–absorption spectroscopy, density functional theory calculations and X‐ray photoelectron spectroscopy, surface intermediates and their stability are identified. We show that H12‐NEC adsorbs molecularly up to 173 K. Above this temperature (223 K), activation of CH bonds is observed within the five‐membered ring. Rapid dehydrogenation occurs to octahydro‐N‐ethylcarbazole (H8‐NEC), which is identified as a stable surface intermediate at 223 K. Above 273 K, further dehydrogenation of H8‐NEC proceeds within the six‐membered rings. Starting from clean Pd(111), CN bond scission, an undesired side reaction, is observed above 350 K. By complementing surface spectroscopy, we present a temperature‐programmed molecular beam experiment, which permits direct observation of dehydrogenation products in the gas phase during continuous dosing of the LOHC. We identify H8‐NEC as the main product desorbing from Pd(111). The onset temperature for H8‐NEC desorption is 330 K, the maximum reaction rate is reached around 550 K. The fact that preferential desorption of H8‐NEC is observed even above the temperature threshold for H8‐NEC dehydrogenation on the clean surface is attributed to the presence of surface dehydrogenation and decomposition products during continuous reactant exposure.
Synthesis, Structure, and Theoretical Study of Trifluoromethyl Derivatives of C84(23) Fullerene
Authors: Romanova Natalia A. , Fritz Maria A. , Chang Kaichin , Tamm Nadezhda B. , Goryunkov Alexey A. , Sidorov Lev N. , Chen Chuanbao , Yang Shangfeng , Kemnitz Erhard , Troyanov Sergey I. 
Published: July 2013

AbstractTrifluoromethylation of a higher fullerene mixture with CF3I was performed in ampoules at 550 °C. HPLC separation followed by crystal growth and X‐ray diffraction study resulted in the structure elucidation of nine CF3 derivatives of D2d‐C84 (isomer 23). The molecular structures of C84(23)(CF3)4, C84(23)(CF3)8, C84(23)(CF3)10, C84(23)(CF3)12, two isomers of C84(23)(CF3)14, two isomers of C84(23)(CF3)16, and C84(23)(CF3)18 were discussed in terms of their addition patterns and the relative formation energies. Extensive theoretical DFT calculations were performed to identify the most stable molecular structures. It was found that the addition of CF3 groups to the C84(23) fullerene is governed by two main rules: no additions in positions of triple hexagon junctions and predominantly para additions in C6(CF3)2 hexagons on the fullerene cage. The only exception with an isolated CF3 group in C84(23)(CF3)12 is discussed in more detail.
PdII‐Catalyzed Spiroketalization of Ketoallylic Diols
Authors: Palmes Jean A. , Paioti Paulo H. S. , de Souza Leonardo Perez , Aponick Aaron 
Published: July 2013

AbstractA high‐yielding stereoselective method for forming spiroketals from simple ketoallylic diols is reported. Employing catalytic [PdCl2(MeCN)2] in THF at 0 °C, these dehydrative cyclization reactions require only mild conditions to produce vinyl‐substituted spiroketals in high yields after brief reaction times with water as the only byproduct. Using this method, the stereochemical information embedded at the nucleophile is transmitted “down‐the‐chain” and efficiently sets the stereochemistry at both the anomeric carbon atom and the newly formed allylic stereocenter.
Monitoring silicone oil droplets during emulsification in stirred vessel: Effect of dispersed phase concentration and viscosity
Authors: Becker Per Julian , Puel François , Chevalier Yves , Sheibat‐Othman Nida 
Published: July 2013

AbstractReliable measurement of drop size distributions (DSD) in liquid–liquid dispersions are necessary for industrial process monitoring and control, as well as the in‐depth study of emulsification mechanisms in order to develop accurate and phenomenological models to be used in population balance modelling. Two experimental devices were assessed: an in situ video probe coupled with an automated image analysis algorithm based on a circular Hough‐transform and a focused beam reflectance measurement (FBRM). Their applicability was evaluated for o/w emulsions of silicone oil with mean droplet sizes between 50 and 200 µm. The in situ techniques have been compared to off‐line laser diffraction, which was considered as the standard technique. The automated video treatment algorithm was improved to provide accurate detection rates for dispersed phase concentrations (by weight) ranging between 5% and 10–20% depending on the droplet sizes. The in situ nature of the video probe allows for a much finer temporal resolution during the early times of the emulsification, as well as giving more reliable measurements of not yet stabilised emulsions, when compared to off‐line laser diffraction. The reconstructed DSDs from FBRM data consistently under‐predicted the DSDs given by the other two methods, as it missed the largest droplets in the DSD. The influences of dispersed phase viscosity and concentration on the DSD, and the maximum and mean diameters have been evaluated. As the viscosity and concentration increased, the distributions move away from a classical uni‐modal shape to more complex, multi‐modal distributions due to more complex break‐up phenomena.