bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemoenzymatic Deracemization of Secondary Alcohols by using a TEMPO–Iodine–Alcohol Dehydrogenase System
Authors: Méndez‐Sánchez Daniel , Mangas‐Sánchez Juan , Lavandera Iván , Gotor Vicente , Gotor‐Fernández Vicente 
Published: October 2015

AbstractA deracemization system for secondary alcohols was established after the analysis of individual steps and their compatibility in one pot. The chemical oxidation and bioreduction occurred in a sequential manner to yield 1‐arylethanols and lineal aliphatic alcohols with excellent conversions and enantiomeric excess values. The oxidation step was performed by using 2,2,6,6‐tetramethylpiperidin‐1‐oxyl and iodine. This chemical process was extremely favored by sonication, which allowed quantitative formation of the corresponding ketone intermediates after just 1 h. Simple destruction of iodine in the same pot allowed sequential bioreduction of the ketones by using either Prelog or antiPrelog enzymes, which led to the preparation of the enantiopure alcohols in excellent yields.
Electron‐Irradiation‐Stimulated Atomic‐Scale Structural Dynamics of the Pentagonal Channel in a Complex MoVTeNbOx Catalyst
Authors: Zhang Wei , Zhang Bingsen , Zheng Weitao , Su Dang Sheng 
Published: October 2015

AbstractThe complex (Mo,V)‐based multicomponent M1 phase with a characteristic network of pentagonal, hexagonal, and heptagonal channels is the key catalyst for the catalytic oxidation from propane to acrylic acid. Herein, the atomic‐scale structural dynamics in the orthorhombic Mo‐V‐Te‐Nb oxide were probed under electron‐beam stimulation. The recorded in situ scanning transmission electron microscopy images unravel the strong bonding and correlation between the (Mo,V)O6 octahedra and the central Nb moieties in the pentagonal channels. Such dynamic electron microscopy imaging can pave the way to chemically tailoring structural units of a general catalogue of functional polyoxometalates through applying top‐down electron‐beam probing.
Chemoenzymatic Halogenation of Phenols by using the Haloperoxidase from Curvularia inaequalis
Authors: Fernández‐Fueyo Elena , van Wingerden Marco , Renirie Rokus , Wever Ron , Ni Yan , Holtmann Dirk , Hollmann Frank 
Published: October 2015

AbstractThe vanadium‐dependent chloroperoxidase from Curvularia inaequalis is an efficient biocatalyst for the in situ generation of hypohalous acids and subsequent electrophilic oxidation/halogenation reactions. Especially, its superb activity and stability under operational conditions make it an attractive catalyst for organic synthesis. Herein, the efficient bromination of thymol was investigated, and turnover numbers of the enzyme were found to exceed 2 000 000. The major novelty of the work is that vanadium chloroperoxidase is more useful as a brominating enzyme than vanadium bromoperoxidase in terms of operational stability, besides being far more stable than heme‐containing peroxidases.
Nanometrization of Lanthanide‐Based Coordination Polymers
Authors: Neaime Chrystelle , Daiguebonne Carole , Calvez Guillaume , Freslon Stéphane , Bernot Kevin , Grasset Fabien , Cordier Stéphane , Guillou Olivier 
Published: October 2015

AbstractHeteronuclear lanthanide‐based coordination polymers are microcrystalline powders, the luminescence properties of which can be precisely tuned by judicious choice of the rare‐earth ions. In this study, we demonstrate that such materials can also be obtained as stable solutions of nanoparticles in non‐toxic polyols. Bulk powders of the formula [Ln2−2xLn′2x(bdc)3⋅4 H2O]∞(where H2bdc denotes 1,4‐benzene‐dicarboxylic acid, 0≤x≤1, and Ln and Ln′ denote lanthanide ions of the series La to Tm plus Y) afford nanoparticles that have been characterized by dynamic light‐scattering (DLS) and transmission electron microscopy (TEM) measurements. Their luminescence properties are similar to those of the bulk materials. Stabilities versus time and versus dilution with another solvent have been studied. This study has revealed that it is possible to tune the size of the nanoparticles. This process offers a reliable means of synthesizing suspensions of nanoparticles with tunable luminescence properties and tunable size distributions in a green solvent (glycerol). The process is also extendable to other coordination polymers and other solvents (ethylene glycol, for example). It constitutes a new route for the facile solubilization of lanthanide‐based coordination polymers.
Graphene Oxide Nanosheets Modified with Single‐Domain Antibodies for Rapid and Efficient Capture of Cells
Authors: Chen Guan‐Yu , Li Zeyang , Theile Christopher S. , Bardhan Neelkanth M. , Kumar Priyank V. , Duarte Joao N. , Maruyama Takeshi , Rashidfarrokh Ali , Belcher Angela M. , Ploegh Hidde L. 
Published: October 2015

AbstractPeripheral blood can provide valuable information on an individual’s immune status. Cell‐based assays typically target leukocytes and their products. Characterization of leukocytes from whole blood requires their separation from the far more numerous red blood cells.1 Current methods to classify leukocytes, such as recovery on antibody‐coated beads or fluorescence‐activated cell sorting require long sample preparation times and relatively large sample volumes.2 A simple method that enables the characterization of cells from a small peripheral whole blood sample could overcome limitations of current analytical techniques. We describe the development of a simple graphene oxide surface coated with single‐domain antibody fragments. This format allows quick and efficient capture of distinct WBC subpopulations from small samples (∼30 μL) of whole blood in a geometry that does not require any specialized equipment such as cell sorters or microfluidic devices.
Clean Synthesis of an Economical 3D Nanochain Network of PdCu Alloy with Enhanced Electrocatalytic Performance towards Ethanol Oxidation
Authors: Liu Jiawei , Huang Zhao , Cai Kai , Zhang Huan , Lu Zhicheng , Li Tingting , Zuo Yunpeng , Han Heyou 
Published: October 2015

AbstractA one‐pot method for the fast synthesis of a 3D nanochain network (NNC) of PdCu alloy without any surfactants is described. The composition of the as‐prepared PdCu alloy catalysts can be precisely controlled by changing the precursor ratio of Pd to Cu. First, the Cu content changes the electronic structure of Pd in the 3D NNC of PdCu alloy. Second, the 3D network structure offers large open pores, high surface areas, and self‐supported properties. Third, the surfactant‐free strategy results in a relatively clean surface. These factors all contribute to better electrocatalytic activity and durability towards ethanol oxidation. Moreover, the use of copper in the alloy lowers the price of the catalyst by replacing the noble metal palladium with non‐noble metal copper. The composition‐optimized Pd80Cu20 alloy in the 3D NNC catalyst shows an increased electrochemically active surface area (80.95 m2 g−1) and a 3.62‐fold enhancement of mass activity (6.16 A mg−1) over a commercial Pd/C catalyst.
Cultivation and Hydrothermal Gasification of Microalgae Scenedesmus Obliquus – First Experimental Results
Authors: Möbius Anja , Boukis Nikolaos , Hindersin Stefan , Kerner Martin 
Published: October 2015

AbstractMicroalgae (Scenedesmus obliquus) produced in flat panel photobioreactors were converted via supercritical water gasification. The long term aim is to gain higher process efficiency through recycling of byproducts of supercritical water gasification and waste water during the cultivation of microalgae. The first step of the project, the general feasibility of conversion of microalgae Scenedesmus obliquus via supercritical water gasification to a hydrogen‐rich combustible gas is presented. The product gas had a higher heating value and consisted of hydrogen, methane, carbon dioxide, and ethane.
Diosgenin aus Yams als Hormonvorstufe
Authors: Rudo Anna , Siehl Hans‐Ullrich , Zeller Klaus‐Peter , Berger Stefan , Sicker Dieter 
Published: October 2015

AbstractDas Sapogenin Diosgenin ist das Aglykon des Saponins Dioscin. Es kommt in Pflanzen wie Yams vor, aus denen es seit den 1940er Jahren in industriellem Maßstab isoliert wird. Pflanzliches Diosgenin ist Ausgangsstoff für die Synthese menschlicher, und damit tierischer Hormone und “der Pille”, die als hormonelles Verhütungsmittel eine Revolution in der Kontrolle der menschlichen Sexualität bedeutete. Die Geschichte, Isolierung und Spektroskopie dieses kompliziert gebauten Sapogenins wird beschrieben. Dieser Artikel erweitert den lebhaft diskutierten Beitrag “50 Jahre Pille in Deutschland” (Streller & Roth, ChiuZ, 2011 [1]) um ein konkretes Stoffbeispiel. Er gehört zur Reihe über die Isolierung und Spektroskopie von Naturstoffen und entspringt einer Vertiefungsarbeit.
Influence analysis of monolith structure on regeneration temperature in the process of microwave regeneration in the diesel particulate filter
Authors: E Jiaqiang , Liu Ming , Deng Yuanwang , Zhu Hao , Gong Jinke 
Published: October 2015

AbstractBased on models A, B, and C of three kinds of diesel particulate filter (DPF) with microwave regeneration, a DPF microwave regeneration model is established according to the laws of conservation of mass, momentum, and energy. The trends of internal temperature under different velocities of exhaust gas in channels are simulated and analyzed. The results show that: (1) Regeneration temperature in the process of microwave regeneration will begin to increase from the front to the rear end of along the axial direction, and the maximum temperature value will appear in the rear end of the monolith. (2) The internal flow velocity in the DPF of model C is the most uniform and the temperature gradient is the smallest among the three models. Therefore, it is the most useful for DPF regeneration. (3) The minimal thermal stress is exerted on the DPF of model C. Therefore, this model is most useful for prolonging the service life of a DPF.
Targeted Delivery of Proteasome Inhibitors to Somatostatin‐Receptor‐Expressing Cancer Cells by Octreotide Conjugation
Authors: Beck Philipp , Cui Haissi , Hegemann Julian D. , Marahiel Mohammed A. , Krüger Achim , Groll Michael 
Published: October 2015

AbstractClinical application of proteasome inhibitors (PIs) is so far limited to peripheral blood cancers due to the pronounced cytotoxicity towards all cell types. Targeted delivery of PIs could permit the treatment of other cancers along with decreasing side effects. Herein we describe the first small‐molecule proteasome inhibitor conjugate for targeted delivery, created by fusing PIs to a synthetic ligand of somatostatin receptors, which are highly expressed in a variety of tumors. X‐ray crystallographic studies and in vitro IC50 measurements demonstrated that addition of the cyclopeptide octreotide as a targeting vehicle does not affect the PI's binding mode. The cytotoxicity of the conjugate against somatostatin‐receptor‐expressing cells was up to 11‐fold higher than that of a non‐targeting surrogate. We have therefore established PIs as a new payload for drug conjugates and have shown that targeted delivery thereof could be a promising approach for the broader application of this FDA‐approved class of compounds.
A guide to uncertainty quantification and sensitivity analysis for cardiovascular applications
Authors: Eck Vinzenz Gregor , Donders Wouter Paulus , Sturdy Jacob , Feinberg Jonathan , Delhaas Tammo , Hellevik Leif Rune , Huberts Wouter 
Published: October 2015

SummaryAs we shift from population‐based medicine towards a more precise patient‐specific regime guided by predictions of verified and well‐established cardiovascular models, an urgent question arises: how sensitive are the model predictions to errors and uncertainties in the model inputs? To make our models suitable for clinical decision‐making, precise knowledge of prediction reliability is of paramount importance. Efficient and practical methods for uncertainty quantification (UQ) and sensitivity analysis (SA) are therefore essential. In this work, we explain the concepts of global UQ and global, variance‐based SA along with two often‐used methods that are applicable to any model without requiring model implementation changes: Monte Carlo (MC) and polynomial chaos (PC). Furthermore, we propose a guide for UQ and SA according to a six‐step procedure and demonstrate it for two clinically relevant cardiovascular models: model‐based estimation of the fractional flow reserve (FFR) and model‐based estimation of the total arterial compliance (CT). Both MC and PC produce identical results and may be used interchangeably to identify most significant model inputs with respect to uncertainty in model predictions of FFR and CT. However, PC is more cost‐efficient as it requires an order of magnitude fewer model evaluations than MC. Additionally, we demonstrate that targeted reduction of uncertainty in the most significant model inputs reduces the uncertainty in the model predictions efficiently. In conclusion, this article offers a practical guide to UQ and SA to help move the clinical application of mathematical models forward. Copyright © 2015 John Wiley & Sons, Ltd.
Finite Energy Method for Compressible Fluids: The Navier‐Stokes‐Korteweg Model
Authors: Germain Pierre , LeFloch Philippe 
Published: October 2015

AbstractThis is the first of a series of papers devoted to the initial value problem for the one‐dimensional Euler system of compressible fluids and augmented versions containing higher‐order terms. In the present paper, we are interested in dispersive shock waves and analyze the zero viscosity‐capillarity limit associated with the Navier‐Stokes‐Korteweg system. Specifically, we establish the existence of finite energy solutions as well as their convergence toward entropy solutions to the Euler system. Our method of proof combines energy and effective energy estimates, a nonlinear Sobolev inequality, high‐integrability properties for the mass density and for the velocity, and compactness properties based on entropies.© 2015 Wiley Periodicals, Inc.
Joint‐analysis of performance and energy consumption when enabling cloud elasticity for synchronous HPC applications
Authors: da Rosa Righi Rodrigo , da Costa Cristiano André , Rodrigues Vinicius Facco , Rostirolla Gustavo 
Published: October 2015

SummaryA key characteristic of cloud computing is elasticity, automatically adjusting system resources to an application's workload. Both reactive and horizontal approaches represent traditional means to offer this capability, in which rule‐condition‐action statements and upper and lower thresholds occur to instantiate or consolidate compute nodes and virtual machines. Although elasticity can be beneficial for many HPC (high‐performance computing) scenarios, it also imposes significant challenges in the development of applications. In addition to issues related to how we can incorporate this new feature in such applications, there is a problem associated with the performance and resource pair and, consequently, with energy consumption. Further exploring this last difficulty, we must be capable of analyzing elasticity effectiveness as a function of employed thresholds with clear metrics to compare elastic and non‐elastic executions properly. In this context, this article explores elasticity metrics in two ways: (i) the use of a cost function that combines application time with different energy models; (ii) the extension of speedup and efficiency metrics, commonly used to evaluate parallel systems, to cover cloud elasticity. To accomplish (i) and (ii), we developed an elasticity model known as AutoElastic, which reorganizes resources automatically across synchronous parallel applications. The results, obtained with the AutoElastic prototype using the OpenNebula middleware, are encouraging. Considering a CPU‐bound application, an upper threshold close to 70% was the best option for obtaining good performance with a non‐prohibitive elasticity cost. In addition, the value of 90% for this threshold was the best option when we plan an efficiency‐driven execution. Copyright © 2015 John Wiley & Sons, Ltd.
In situ Poly(methyl methacrylate)/Graphene Composite Gel Electrolytes for Highly Stable Dye‐Sensitized Solar Cells
Authors: Kang Yu‐il , Moon Jun Hyuk 
Published: October 2015

AbstractDye‐sensitized solar cells (DSCs) with long‐term stability are produced using polymer‐gel electrolytes (PGEs). In this study, we introduce the formation of PGEs using in situ gelation with poly(methyl methacrylate) (PMMA) particles and graphene fillers that are pre‐deposited on the counter electrodes. We obtain a high concentration PMMA‐based PGEs (i.e., over 10 wt %). A DSC composed of a PMMA/graphene composite PGEs exhibits an 8.49 % photon‐to‐electric conversion efficiency, which is comparable to conventional liquid electrolyte DSCs. This finding is attributed to increased ion diffusivity and conductivity of the PMMA‐based PGEs resulting from the incorporation of graphene nanofillers. The PMMA‐based PGE DSCs exhibit highly stable long‐term efficiencies, maintaining up to 90 % of their initial efficiency during thermal soaking, whereas the efficiencies of liquid electrolyte cells decrease significantly, by up to 60 %.
A TiO2 Nanofiber–Carbon Nanotube‐Composite Photoanode for Improved Efficiency in Dye‐Sensitized Solar Cells
Authors: Macdonald Thomas J. , Tune Daniel D. , Dewi Melissa R. , Gibson Christopher T. , Shapter Joseph G. , Nann Thomas 
Published: October 2015

AbstractInvited for this month's cover of ChemSusChem is the group of Thomas Nann (University of South Australia) and Joe Shapter (Flinders University). The image shows a TiO2/SWCNT dye‐sensitized solar cell (DSSC), which includes a scanning electron microscopy (SEM) image rendered to show a three‐dimensional representation of the lawn‐like nanocomposite. The Communication itself is available at 10.1002/cssc.201500945.
Red mason bees cannot compete with honey bees for floral resources in a cage experiment
Authors: Hudewenz Anika , Klein Alexandra‐Maria 
Published: October 2015

AbstractIntensive beekeeping to mitigate crop pollination deficits and habitat loss may cause interspecific competition between bees. Studies show negative correlations between flower visitation of honey bees (Apis mellifera) and wild bees, but effects on the reproduction of wild bees were not proven. Likely reasons are that honey bees can hardly be excluded from controls and wild bee nests are generally difficult to detect in field experiments. The goal of this study was to investigate whether red mason bees (Osmia bicornis) compete with honey bees in cages in order to compare the reproduction of red mason bees under different honey bee densities. Three treatments were applied, each replicated in four cages of 18 m³ with 38 red mason bees in all treatments and 0, 100, and 300 honey bees per treatment with 10–20% being foragers. Within the cages, the flower visitation and interspecific displacements from flowers were observed. Niche breadths and resource overlaps of both bee species were calculated, and the reproduction of red mason bees was measured. Red mason bees visited fewer flowers when honey bees were present. Niche breadth of red mason bees decreased with increasing honey bee density while resource overlaps remained constant. The reproduction of red mason bees decreased in cages with honey bees. In conclusion, our experimental results show that in small and isolated flower patches, wild bees can temporarily suffer from competition with honey bees. Further research should aim to test for competition on small and isolated flower patches in real landscapes.
Facile Rearrangement of the 6,11‐Diphenyldibenzo[b,f][1,4]diazocine Skeleton into a Substituted 2‐(2‐Aminophenyl)‐1,3‐diphenylisoindole via Anomalous Carbo­lithiation or Hydrolithiation: Corroboration of Operative SET Processes
Authors: Eisch John J. , Liu Wei , Zhu Lisheng , Rheingold Arnold L. 
Published: October 2015

AbstractThe starting 6,11‐diphenyldibenzo[b,f][1,4]diazocine has been individually treated with R–Li reagents in THF, where R = AlH4, PhCH2, Ph2CH, Ph3C, CH3, CH3(CH2)3, C6H5 or Ph–C≡C, to learn whether an expected 1,2‐ or 1,4‐addition would cleanly occur. Contrary to such an assumption based on nucleophilic attack, this [1,4]diazocine with PhCH2Li yielded only the enantiomers of (4b,11R)‐11‐benzyl‐4b,11‐diphenyl‐4b,11‐dihydro‐5H‐benzo[4,5]imidazo[2,1‐a]isoindole; with Ph2CHLi yielded 2‐[1‐(4‐benzhydrylphenyl)‐phenyl‐2H‐isoindol‐2‐yl]analine; and with LiAlH4 2‐(2‐aminophenyl)‐1,3‐diphenylisoindole. Finally, individual reactions of the [1,4]diazocine with CH3Li, nBuLi or PhLi gave 4–5 inseparable products, instead of any simple 1,2 or 1,4 adduct. The anomalous carbolithiations and hydrolithiation observed are irreconcilable with a nucleophilic mechanism but in excellent accord with a SET radical‐anion pathway.
Gold Surface Functionalization with S‐containing Organic Compounds and Gold Nanoparticles for Ethylene Glycol Electrooxidation
Authors: Łuczak Teresa , Bułat Kornela 
Published: October 2015

AbstractIn this work a gold electrode modified with self‐assembled layers (SAMs) composed with organic S‐containing compound and gold nanoparticles was prepared. The electrode with SAMs endowed with gold nanoparticles gave the high catalytic effect for ethylene glycol (EG) electrooxidation in solution at pH 7. For this novel sensor a linear relationship between the current response of EG at the potential of peak maximum (jp) and the concentration of this compound in solution (cEG) was found over the range 0.1 µM to 0.7 M with the detection sensitivity jp/cEG equal to about 5 A cm−2 mol−1 dm3 (at v=0.1 V s−1) and the detection limit of 0.046 µM.
Treatment of pig manure liquid digestate in horizontal flow constructed wetlands: Effect of aeration
Authors: Wu Shubiao , Lei Ming , Lu Qimin , Guo Luchen , Dong Renjie 
Published: October 2015

With the rapid development of scaled anaerobic digestion of pig manure, the generation of liquid anaerobic digestate exceeds the farmland loading capacity, causing serious environmental pollution. Three laboratory‐scale horizontal subsurface flow constructed wetlands (CWs; planted + aeration, planted, and unplanted) were set up to investigate the feasibility of liquid digestate treatment in wetlands. Treatment capacity in different wetlands was evaluated under different influent concentrations (chemical oxygen demand [COD], 5 days biochemical oxygen demand [BOD5], and nitrogen forms). The effect of aeration and effluent recirculation on organic matter and total nitrogen removal was investigated. Results showed that integrating intermittent aeration in CWs significantly improved the oxygen condition (p < 0.01) in the wetland bed and promoted BOD5 removal to 90% in aerated CWs as compared with <15% in the unaerated CWs. Meanwhile, COD removal between these three wetlands did not show any difference and varied from 52 to 72% under influent concentration of 200–820 mg/L because of the high content of hard‐degradable organic matter in the liquid digestate. Intermittent aeration resulted in high ammonium removal (>98%) although the influent loading varied from 65 to 350 mg/L. However, intermittent aeration caused nitrate accumulation of 300 mg/L and limited total nitrogen (TN) removal of 33%. To intensify the TN removal, we verified effluent recirculation to increase the removal efficiency of TN to 78%. These results not only show the potential application of CWs for treatment of high‐strength liquid anaerobic digested slurry, but also indicate the significance of intermittent aeration on the enhanced removal of organic matter and ammonium.