bluuebunny/crossref_metadata_2025_split huggingface dataset:
De Novo Synthesis of Gold‐Nanoparticle‐Embedded, Nitrogen‐Doped Nanoporous Carbon Nanoparticles (Au@NC) with Enhanced Reduction Ability
Authors: Liao Yu‐Te , Chen Jeffrey E. , Isida Yohei , Yonezawa Tetsu , Chang Wei‐Chen , Alshehri Saad M. , Yamauchi Yusuke , Wu Kevin C.‐W. 
Published: December 2015

AbstractA de novo synthesis of gold‐nanoparticle‐embedded, nitrogen‐doped nanoporous carbon nanoparticles (Au@NC) was investigated in this work. Chloroauroic acid was encapsulated inside zeolitic imidazolate framework‐8 (ZIF‐8) nanoparticles during the synthesis and later reduced into gold nanoparticles. The as‐synthesized gold‐nanoparticle‐embedded ZIF‐8 (Au@ZIF‐8) was then carbonized into Au@NC to enhance the stability of the nanoporous support. The results show that Au@NC exhibits a porous structure containing 3 wt % of gold. 2‐Methylimidazole provided an abundant amount of nitrogen (19 wt %) on the carbon matrix, which resulted in a hydrophilic and positively charged surface that is useful for the reduction of 4‐nitrophenol. The results of the catalytic reaction indicate that synthesized Au@NC could act as an effective catalyst with a turnover frequency (TOF) of 1185 g−1 s−1, which is higher than that of conventional naked Au nanoparticles (TOF: 339 g−1 s−1) and that of Au nanoparticles on activated carbon (TOF: 89 g−1 s−1). We propose that the enhanced performance of Au@NC resulted from homogeneous distribution of Au nanoparticles along with the hydrophilic and positively charged nitrogen‐doped carbon surface.
Apple‐Biowaste‐Derived Hard Carbon as a Powerful Anode Material for Na‐Ion Batteries
Authors: Wu Liming , Buchholz Daniel , Vaalma Christoph , Giffin Guinevere A. , Passerini Stefano 
Published: December 2015

AbstractModern industrial agriculture is strongly influenced by product norms and standards, resulting in massive amounts of fresh fruit that is left in the field or wasted in spite of their good nutritional value. Herein, we present the synthesis of hard carbon from natural apple biowaste, and its use of biomass is a suitable strategy for the development of cheap and powerful carbon‐based active materials for Na‐ion batteries. The hard carbon exhibits a good rate capability [112 mAh g−1 at 5 C (1 A g−1)], excellent long‐term cycling stability (1000 cycles at 5 C), and high specific capacity (245 mAh g−1 at 0.1 C) with full retention after 80 cycles. The full capacity (250 mAh g−1) of the hard carbon is also obtained in Na‐ion cells by using the layered P2‐type NaxNi0.22Co0.11Mn0.66O2 cathode. The good electrochemical performance as well as the low cost and environmental friendliness of the apple‐biowaste‐derived hard carbon proves its suitability for future Na‐ion batteries.
Solvent removal from cyclohexane‐extracted oil sands gangue
Authors: Nikakhtari Hossein , Pal Krupal , Wolf Sebastian , Choi Phillip , Liu Qi , Gray Murray R. 
Published: December 2015

AbstractSolvent extraction of bitumen from the Alberta oil sands has the potential to overcome the shortcomings of the current aqueous extraction process by reducing fresh water demand and eliminating tailings ponds. Bitumen is recovered as a solution, leaving behind the solids (or gangue) with a residual solvent and water from the original ore. Removing the solvent from the gangue is a crucial step that involves evaporation of volatile material (cyclohexane) from a porous matrix in the presence of a less volatile immiscible phase (water). In this study, we examined the effects of relative humidity, temperature, and the addition of water during cyclohexane extraction on the extent of cyclohexane removal from the extraction gangue. The drying curves showed two constant‐rate periods, with the initial period mainly removing cyclohexane, and the second mainly removing water. The initial drying rate of gangue in an environmental chamber was 2.7 times faster than drying in a fume hood due to the stronger convective currents in the chamber produced by its fan. The initial drying rate was independent of the relative humidity, which was in the range of 30–90 %, but the residual cyclohexane content in the gangue increased at high relative humidity. The addition of water to oil sands prior to cyclohexane extraction increased the residual cyclohexane in the gangue, likely by forming a barrier to efficient evaporation.
Inhibitors of Ras–SOS Interactions
Authors: Lu Shaoyong , Jang Hyunbum , Zhang Jian , Nussinov Ruth 
Published: December 2015

AbstractActivating Ras mutations are found in about 30 % of human cancers. Ras activation is regulated by guanine nucleotide exchange factors, such as the son of sevenless (SOS), which form protein–protein interactions (PPIs) with Ras and catalyze the exchange of GDP by GTP. This is the rate‐limiting step in Ras activation. However, Ras surfaces lack any evident suitable pockets where a molecule might bind tightly, rendering Ras proteins still ‘undruggable’ for over 30 years. Among the alternative approaches is the design of inhibitors that target the Ras–SOS PPI interface, a strategy that is gaining increasing recognition for treating Ras mutant cancers. Herein we focus on data that has accumulated over the past few years pertaining to the design of small‐molecule modulators or peptide mimetics aimed at the interface of the Ras–SOS PPI. We emphasize, however, that even if such Ras–SOS therapeutics are potent, drug resistance may emerge. To counteract this development, we propose “pathway drug cocktails”, that is, drug combinations aimed at parallel (or compensatory) pathways. A repertoire of classified cancer, cell/tissue, and pathway/protein combinations would be beneficial toward this goal.
Optimizing the DNA yield for molecular analysis from cytologic preparations
Authors: Roy‐Chowdhuri Sinchita , Chow Chi‐Wan , Kane Mary K. , Yao Hui , Wistuba Ignacio I. , Krishnamurthy Savitri , Stewart John , Staerkel Gregg 
Published: December 2015

BACKGROUNDCytology smears and cytospin preparations are increasingly being used for molecular testing. With these limited samples, optimizing tissue extraction to maximize the DNA yield is, therefore, critical. This study examined 2 common methods of tissue extraction and compared DNA yields from different types of glass slides.METHODSThe H226 lung cancer cell line and 5 clinical samples of cellular effusions were used to prepare Diff‐Quik–stained cytospins on 4 types of glass slides: fully frosted (FF), nonfrosted (NF), positively charged (PC), and silane‐coated (SC). Tissue extraction was performed by either scalpel‐blade scraping or cell lifting with the Pinpoint Slide DNA Isolation System (Zymo Research). DNA was extracted with the QIAamp DNA Mini Kit (Qiagen) and was quantified with the Quant‐iT PicoGreen Kit (Life Technologies).RESULTSThe DNA yield in cell‐line cytospins was significantly lower from FF slides versus NF, PC, and SC slides with both scraping and cell‐lifting methods. In addition, scraping yielded significantly more DNA than cell lifting (P = .005). DNA yields from 5 clinical effusion cases with FF and NF slides showed results similar to the results for cell‐line samples, with scraping consistently yielding more DNA than cell lifting and with NF slides outperforming FF slides.CONCLUSIONSOptimizing the DNA yield extracted from cytology specimens maximizes the chances of successful molecular testing and is critical in cases of low or marginal cellularity. This study demonstrates the following: 1) scraping yields more DNA than cell lifting, and 2) NF slides yield more DNA than FF slides. Cancer Cytopathol 2016;124:254–60. © 2015 American Cancer Society.
Performance optimisation strategies for automatically generated FPGA accelerators for biomedical models
Authors: Yu Ting , Oppermann Julian , Bradley Chris , Sinnen Oliver 
Published: December 2015

SummaryBiomedical modelling that is mathematically described by ordinary differential equations (ODEs) is often one of the most computationally intensive parts of simulations. With high inherent parallelism, hardware acceleration based on field programmable gate array has great potential to increase the computational performance of the ODE model integration while being very power efficient. ODE‐based Domain‐specific Synthesis Tool is a tool we proposed previously to automatically generate the complete hardware/software co‐design framework for computing biomedical models based on CellML. Although it provides remarkable performance improvement and high energy efficiency compared with CPUs and GPUs, there is still a great potential for optimisation. In this paper, we investigate a set of optimisation strategies including compiler optimisation, resource fitting and balancing, and multiple pipelines. They all have in common that they can be performed automatically and hence can be integrated in our domain‐specific high level synthesis tool. We evaluate the optimised hardware accelerator modules generated by ODE‐based Domain‐specific Synthesis Tool on real hardware based on their resource usage, processing speed and power consumption. The results are compared with single threaded and multi‐core CPUs with/without Streaming SIMD Extension (SSE) optimisation and a graphics card. The results show that the proposed optimisation strategies provide significant performance improvement and result in even more energy‐efficient hardware accelerator modules. Furthermore, the resources of the target field programmable gate array device can be more efficiently utilised in order to fit larger biomedical models than before. Copyright © 2015 John Wiley & Sons, Ltd.
Window‐LRFU: a cache replacement policy subsumes the LRU and window‐LFU policies
Authors: Bai Sen , Bai Xin , Che Xiangjiu 
Published: December 2015

SummaryReplacement algorithms have been widely used as key technologies for cache management in areas such as file systems or database management. A replacement algorithm determines which page to be evicted when the cache is full and a new page is referenced. Because replacement policies considering only recency or frequency such as LRU (Least Recently Used) and LFU (Least Frequently Used) do not perform well, replacement polices that take both recency and frequency into account have been intensively studied. As a classical replacement policy, LRFU (Least Recently/Frequently Used) policy subsumes the LRU and LFU policy. However, because LFU is not able to adapt to the change of page accessing pattern and it is hard to select a suitable λ for each certain trace, LRFU cannot always guarantee a good performance. In this paper, we propose a Window‐LRFU policy, to subsume the LRU and Window‐LFU policies. Experimental results show that the Window‐LRFU policy outperforms LRFU and has at least competitive performance than other classical algorithms. Copyright © 2015 John Wiley & Sons, Ltd.
Structure–Property Relationships in Hydroxide‐Exchange Membranes with Cation Strings and High Ion‐Exchange Capacity
Authors: Wang Junhua , Gu Shuang , Xiong Ruichang , Zhang Bingzi , Xu Bingjun , Yan Yushan 
Published: December 2015

AbstractA series of poly(2,4‐dimethyl‐1,4‐phenylene oxide) hydroxide‐exchange membranes (HEMs) with cation strings containing a well‐defined number of cations (CS‐n) and similar, high ion‐exchange capacities are synthesized to investigate the effect of cation distribution on key HEM properties. As the number of cations on each string grows, the size of the ionic clusters increases from 10 to 55 nm. Well‐connected ion pathways and a hydrophobic framework are observed for n≥4. The enhanced phase segregation increases the hydroxide conductivity from CS‐1 to CS‐6 (30 to 65 mS cm−1) and suppresses the water uptake (from 143 % to 62 %). Moreover, molar hydroxide conductivities for CS‐n membranes show two distinctive stages as n increases: ∼23 S cm2 mol−1 for n≤3; and ∼34 cm2 mol−1 for n≥4.
Drugs of abuse in maternal hair and paired neonatal meconium: an objective assessment of foetal exposure to gestational consumption
Authors: Joya Xavier , Marchei Emilia , Salat‐Batlle Judith , García‐Algar Oscar , Calvaresi Valeria , Pacifici Roberta , Pichini Simona 
Published: December 2015

In a prospective sample of 80 mother‐infant dyads, we investigated whether drugs of abuse in maternal hair measured during the pregnancy trimesters were also present in neonatal meconium. Principal drugs of abuse were analyzed in the three consecutive maternal hair segments and meconium samples by ultra‐performance liquid chromatography tandem mass spectrometry assay.Of the 80 mothers, 32 (40%) presented one or more hair shafts with at least one of the analyzed drugs of abuse and/or its metabolites. The drug of abuse with a higher prevalence in our study population was methamphetamine: 19 mothers had methamphetamine in one or more hair segments (59.4%). The second most detected drug of abuse was cocaine; nine mothers presented cocaine in one or more hair segments (28.1%). Nineteen pregnant women consumed at least one drug of abuse during the first trimester, ten continued consuming drugs of abuse during the second trimester; and nine consumed until the end of pregnancy. Five of the nine newborns from mothers who consumed drugs during the whole pregnancy showed drugs of abuse in meconium samples. Newborns from the 23 remaining mothers with one or two hair shafts positive to drugs of abuse did not present drugs in their meconium. Indeed from these results, it seems that discontinuous and/or sporadic consumption during pregnancy could produce a negligible transplacental passage and hence negative results in meconium. Furthermore, the role of placenta in the metabolism and excretion of drugs of abuse is still to be precisely investigated. Copyright © 2015 John Wiley & Sons, Ltd.
The site of tumor development determines immunogenicity via temporal mobilization of antigen‐laden dendritic cells in draining lymph nodes
Authors: Joncker Nathalie T. , Bettini Sarah , Boulet Delphine , Guiraud Martine , Guerder Sylvie 
Published: December 2015

The elimination of solid tumors largely depends on effective T‐cell priming by dendritic cells (DCs). For decades, studies focusing on antitumoral immune responses have been performed with tumors transplanted subcutaneously (s.c.). These studies however do not take into account the heterogeneous tissue distribution and functionality of the different DC subsets. Given the crucial role of DCs in inducing protective immune response, we postulated that the anatomic location of tumor development may greatly impact tumor immunogenicity. We therefore implanted tumor cells either in the DC‐rich dermis environment or in the s.c. tissue that mainly contains macrophages and monocytes. We showed that intradermal (i.d.), but not s.c. tumors are rapidly rejected in a T‐cell‐dependent manner and induce protective T‐cell responses. The rejection of i.d. tumors correlates with rapid recruitment of dermal DCs presenting the tumor antigen to both CD4 and CD8 T cells in the draining lymph nodes (dLNs). The same DC subsets were mobilized upon s.c. tumor transplantation but with delayed kinetics. Altogether, our results show that the anatomical site of tumor development influences tumor immunogenicity, notably by controlling the kinetics of DC mobilization in the draining LNs.
Studies of Multicenter and Intermolecular Dihydrogen B–H···H–C Bonding in [4,8,8′‐exo‐{PPh3Cu}‐4,8,8′‐(μ‐H)3‐commo‐3,3′‐Co(1,2‐C2B9H9)(1′,2′‐C2B9H10)]
Authors: Smol'yakov Alexander F. , Korlyukov Alexander A. , Dolgushin Fedor M. , Balagurova Elena V. , Chizhevsky Igor T. , Vologzhanina Anna V. 
Published: December 2015

AbstractAn experimentally based and theoretical electron density study of the title compound has been carried out, giving the first experimental description for the two types of bonding: between the transition metal (i.e., Co) and the dicarbollide dianions that occurs through the open C2B3face of thenido‐carborane and between the anioniccommocluster (i.e., Cobdc) and the transition metal (i.e., Cu) involving three unique (B–H)3···Cu bonds. The Co···dicarbollide and Cu···Cobdc bonds are shown to have a multicenter character, whereas direct Co···Cu interaction is found to be absent. The effect of the [Cu(PPH3)]+association with the Cobdc anion on the Co···dicarbollide bonding is discussed. The description of intramolecular Co···dicarbollide and intermolecular B–H···H–C connectivity in terms of the Hirshfeld approach and Voronoi tessellation is compared with the QTAIM results to confirm their qualitative and semiquantitative similarity.
Salt‐Acid‐Surfactant Lyotropic Liquid Crystalline Mesophases: Synthesis of Highly Transparent Mesoporous Calcium Hydroxyapatite Thin Films
Authors: Tunkara Ebrima , Dag Ömer 
Published: December 2015

AbstractEven though calcium hydroxyapatite [Ca10(PO4)6(OH)2, HAp] is one of the most investigated materials in the literature, the synthesis of mesoporous transparent thin film of HAp has not yet been reported. We show herein that mixtures of phosphoric acid (H3PO4·H2O, PA), calcium nitrate tetrahydrate [Ca(NO3)2·4H2O, CaN] and non‐ionic surfactant [C12H25(OCH2CH2)10OH, C12E10] can self‐assemble into stable lyotropic liquid crystalline (LLC) mesophases. The clear aqueous solutions of the mixtures can be spin‐coated over any substrate and then calcined to form highly transparent mesoporous HAp (mHAp) thin films. From among the compositions studied, three molar ratios of CaN/PA/C12E10 [3.3:2:1 (low), 5.8:3.5:1 (intermediate) and 8.4:5:1 (high)] were chosen for large‐scale preparation to investigate their structural and thermal properties. The mHAp films form at around 300 °C and fully crystalize at 500 °C, retaining their transparency, uniformity and porosity in all compositions with few differences. The surface area and pore volume decrease, and the pore size and pore size distribution increase with increasing annealing temperature for all compositions.
Substrate‐Controlled Synthesis of Functionalized Cyclohexanes with Four Stereocenters by Organocatalytic Asymmetric Domino Reactions Between γ‐Nitro Ketone and Enone
Authors: Yu Lu , Yang Zhen , Peng Jianzhao , Li Pengfei 
Published: December 2015

AbstractOrganocatalytic asymmetric domino reactions of γ‐nitro ketones and enones have been developed for the construction of functionalized cyclohexane skeletons with four stereogenic carbon atoms, including one tetrasubstituted carbon stereocenter. 5‐Nitropentan‐2‐one and 6‐nitrohexan‐3‐one reacted with chalcone to afford six‐membered carbocycles with four consecutive stereocenters in yields of 51–91 % with 81–93 % ee and >20:1 dr. In addition, 4‐nitro‐1‐phenylbutan‐1‐one reacted with 4‐arylbut‐3‐en‐2‐ones to afford six‐membered carbocycles with two double consecutive stereocenters in yields of 59–92 % with 89–94 % ee and >20:1 dr. Interestingly, both four consecutive and nonconsecutive stereocenters could be constructed by these substrate‐controlled domino reactions.
Synthesis of Spiranes by Thiol‐Mediated Acyl Radical Cyclization
Authors: Hsu Day‐Shin , Chen Chih‐Hao , Hsu Chi‐Wei 
Published: December 2015

AbstractA general and efficient method for the preparation of spiro compounds is described. Various enone‐aldehydes were exposed to t‐dodecanethiol and AIBN at 75 °C in toluene to afford spirocyclic 1,4‐diketones in moderate to good yields.
Gold‐Catalyzed Allenamide [2+2+2]‐Cyclotrimerization
Authors: Hernández‐Díaz Cristina , Rubio Eduardo , González José M. 
Published: December 2015

AbstractA protocol involving a gold(I)‐catalyzed reaction to elaborate cyclic frames by selective trimerization reactions of N‐allenylsulfonamides is reported. Efficiency in the formation of the target [2+2+2] products depends on the concentration of the reagents, the nature of the ancillary ligand on the gold catalyst, and, to a significant extent, on the selection of a low reaction temperature. This singular catalytic allene cycloaddition gives adducts in high isolated yields. In addition to representing a new gold‐catalyzed reaction, the reported allenamide cyclotrimerization offers a significant extension to the scant number of allenes that have effectively entered this cyclization mode by use of other metal‐catalyzed reactions. Upon aromatization of the assembled adducts, the overall reaction matches the outcome of related and widely investigated alkyne trimerization reactions.
Responsible handling of tunnel spoil through the example of Koralm Tunnel contract KAT2 / Verantwortungsvoller Umgang mit Tunnelausbruch am Beispiel Koralmtunnel, Baulos KAT2
Authors: Posch Helmut , Nahold Manfred , Kager Matthias , Kolb Erich , Bauer Felix , Huber Markus 
Published: December 2015

AbstractContract KAT2 will altogether produce about 8.6 m. t of excavated material. Most of this will be used as fill for various purposes or processed as aggregates for concrete production. This article deals with the management of the material excavated from the tunnel and of material, which has been affected by ground improvement measures or could have been contaminated during excavation or transport. Causes for chemical problems and risks with waste are identified, and possibilities and solutions for technically correct recycling or disposal in compliance with the conditions of waste management law are presented. As an example, the influence of selected additives such as cement or resin foam is discussed. There is also a description of investigation results into the evidence that high concentrations occur in the determination of iron and aluminium in the eluate. These parameters are of significance for the recycling of rock since they are limited under the Austrian federal waste management plan (BAWP).Im Baulos KAT2 fallen insgesamt rund 8,6 Mio. t Tunnelausbruchmaterial an. Der überwiegende Teil wird als Schüttmaterial mit unterschiedlichen Verwendungen verwertet oder für die Herstellung von Gesteinskörnungen zur Betonherstellung aufbereitet. Dieser Beitrag behandelt den Umgang mit Tunnelausbruchmaterial und mit Material, das durch gebirgsverbessernde Maßnahmen beeinflusst wird oder das im Löseprozess und dem Transport verunreinigt werden kann. Ursachen für abfallchemische Auffälligkeiten und Risiken werden aufgezeigt; Möglichkeiten und Lösungen für die fachgerechte Verwertung oder Beseitigung unter Einhaltung abfallrechtlicher Rahmenbedingungen werden vorgestellt. Exemplarisch wird der Einfluss ausgewählter Hilfsstoffe wie Zement oder Harzschaum diskutiert. Beschrieben werden auch Untersuchungsergebnisse zum Nachweis, dass bei der Bestimmung von Eisen und Aluminium im Eluat hohe Konzentrationen auftreten. Diese Parameter sind für die Verwertung des Gesteins von Bedeutung, weil sie nach Bundesabfallwirtschaftsplan (BAWP) begrenzt sind.