bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dynamic Inclusion Complexes of Metal Nanoparticles Inside Nanocups
Authors: Alarcón‐Correa Mariana , Lee Tung‐Chun , Fischer Peer 
Published: May 2015

AbstractHost–guest inclusion complexes are abundant in molecular systems and of fundamental importance in living organisms. Realizing a colloidal analogue of a molecular dynamic inclusion complex is challenging because inorganic nanoparticles (NPs) with a well‐defined cavity and portal are difficult to synthesize in high yield and with good structural fidelity. Herein, a generic strategy towards the fabrication of dynamic 1:1 inclusion complexes of metal nanoparticles inside oxide nanocups with high yield (>70 %) and regiospecificity (>90 %) by means of a reactive double Janus nanoparticle intermediate is reported. Experimental evidence confirms that the inclusion complexes are formed by a kinetically controlled mechanism involving a delicate interplay between bipolar galvanic corrosion and alloying–dealloying oxidation. Release of the NP guest from the nanocups can be efficiently triggered by an external stimulus.
Programmed Synthesis by Stimuli‐Responsive DNAzyme‐Modified Mesoporous SiO2 Nanoparticles
Authors: Balogh Dora , Aleman Garcia Miguel Angel , Albada H. Bauke , Willner Itamar 
Published: May 2015

AbstractDNAzyme‐capped mesoporous SiO2 nanoparticles (MP SiO2 NPs) are applied as stimuli‐responsive containers for programmed synthesis. Three types of MP SiO2 NPs are prepared by loading the NPs with Cy3‐DBCO (DBCO=dibenzocyclooctyl), Cy5‐N3, and Cy7‐N3, and capping the NP containers with the Mg2+, Zn2+, and histidine‐dependent DNAzyme sequences, respectively. In the presence of Mg2+ and Zn2+ ions as triggers, the respective DNAzyme‐capped NPs are unlocked, leading to the “click” reaction product Cy3‐Cy5. In turn, in the presence of Mg2+ ions and histidine as triggers the second set of DNAzyme‐capped NPs is unlocked leading to the Cy3‐Cy7 conjugated product. The unloading of the respective NPs and the time‐dependent formation of the products are followed by fluorescence spectroscopy (FRET). A detailed kinetic model for the formation of the different products is formulated and it correlates nicely with the experimental results.
Two‐Photon Voltmeter for Measuring a Molecular Electric Field
Authors: Rebane Aleksander , Wicks Geoffrey , Drobizhev Mikhail , Cooper Thomas , Trummal Aleksander , Uudsemaa Merle 
Published: May 2015

AbstractWe present a new approach for determining the strength of the dipolar solute‐induced reaction field, along with the ground‐ and excited‐state electrostatic dipole moments and polarizability of a solvated chromophore, using exclusively one‐photon and two‐photon absorption measurements. We verify the approach on two benchmark chromophores N,N‐dimethyl‐6‐propionyl‐2‐naphthylamine (prodan) and coumarin 153 (C153) in a series of toluene/dimethyl sulfoxide (DMSO) mixtures and find that the experimental values show good quantitative agreement with literature and our quantum‐chemical calculations. Our results indicate that the reaction field varies in a surprisingly broad range, 0–107 V cm−1, and that at close proximity, on the order of the chromophore radius, the effective dielectric constant of the solute–solvent system displays a unique functional dependence on the bulk dielectric constant, offering new insight into the close‐range molecular interaction.
Ordering of PCDTBT Revealed by Time‐Resolved Electron Paramagnetic Resonance Spectroscopy of Its Triplet Excitons
Authors: Biskup Till , Sommer Michael , Rein Stephan , Meyer Deborah L. , Kohlstädt Markus , Würfel Uli , Weber Stefan 
Published: May 2015

AbstractTime‐resolved electron paramagnetic resonance (TREPR) spectroscopy is shown to be a powerful tool to characterize triplet excitons of conjugated polymers. The resulting spectra are highly sensitive to the orientation of the molecule. In thin films cast on PET film, the molecules’ orientation with respect to the surface plane can be determined, providing access to sample morphology on a microscopic scale. Surprisingly, the conjugated polymer investigated here, a promising material for organic photovoltaics, exhibits ordering even in bulk samples. Orientation effects may significantly influence the efficiency of solar cells, thus rendering proper control of sample morphology highly important.
Diaryliodoniums by Rhodium(III)‐Catalyzed CH Activation: Mild Synthesis and Diversified Functionalizations
Authors: Xie Fang , Zhang Zhipeng , Yu Xinzhang , Tang Guodong , Li Xingwei 
Published: May 2015

AbstractDiaryliodonium salts play an increasingly important role as an aryl source. Reported is the first synthesis of diaryliodoniums by rhodium(III)‐catalyzed CH hyperiodination of electron‐poor arenes under chelation assistance. This CI coupling reaction occurred at room temperature with high regio‐selectivity and functional‐group compatibility. Subsequent diversified nucleophilic functionalization of a diaryliodonium allowed facile construction of CC, CN, CO, CS, CP and CBr bonds, and in all cases the initial functionalization occurred at the arene containing the chelating‐group.
Pushing Up Lithium Storage through Nanostructured Polyazaacene Analogues as Anode
Authors: Wu Jiansheng , Rui Xianhong , Long Guankui , Chen Wangqiao , Yan Qingyu , Zhang Qichun 
Published: May 2015

AbstractAccording to the evidence from both theoretical calculations and experimental findings, conjugated ladder polymers containing large π‐conjugated structure, a high number of nitrogen heteroatoms, and a multiring aromatic system, could be an ideal organic anode candidate for lithium‐ion batteries (LIBs). In this report, we demonstrated that the nanostructured polyazaacene analogue poly(1,6‐dihydropyrazino[2,3g]quinoxaline‐2,3,8‐triyl‐7‐(2H)‐ylidene‐7,8‐dimethylidene) (PQL) shows high performance as anode materials in LIBs: high capacity (1750 mAh g−1, 0.05C), good rate performance (303 mAh g−1, 5C), and excellent cycle life (1000 cycles), especially at high temperature of 50 °C. Our results suggest nanostructured conjugated ladder polymers could be alternative electrode materials for the practical application of LIBs.
A‐D‐A Type Small Molecules Based on Boron Dipyrromethene for Solution‐Processed Organic Solar Cells
Authors: Xiao Liangang , Wang Hongda , Gao Ke , Li Lisheng , Liu Chang , Peng Xiaobin , Wong Wai‐Yeung , Wong Wai‐Kwok , Zhu Xunjin 
Published: May 2015

AbstractThe unique properties of boron dipyrromethene (BODIPY) dyes including facile synthesis, high absorption coefficients, and delocalized molecular orbitals as well as excellent photochemical and thermal stability, make them promising as materials for organic solar cells. Accordingly, in this study three A‐D‐A structural small molecules of BDTT‐BODIPY, FL‐BODIPY, and TT‐BODIPY have been synthesized, in which two BODIPY acceptor units are symmetrically conjugated to 4,8‐bis(5‐(2‐ethylhexyl) thiophen‐2‐yl)benzo[1,2‐b:4,5‐b]dithiophene (BDTT), 9,9‐dioctyl‐9H‐fluorene (FL), and thieno[3,2‐b]thiophene (TT) donor cores, respectively. The manipulation of the structural parameters significantly improves the performances of the BHJ OSCs, which show power conversion efficiencies of 4.75 %, 1.51 %, and 1.67 % based on [6,6]‐phenyl C71‐butyric acid methyl ester (PC71BM) as the acceptor material and BDTT‐BODIPY, FL‐BODIPY, and TT‐BODIPY as the donor materials, respectively.
Anti‐senescence effects of DNA methyltransferase inhibitor RG108 in human bone marrow mesenchymal stromal cells
Authors: Oh Youn Seo , Jeong Sin‐Gu , Cho Goang‐Won 
Published: May 2015

AbstractAlteration of DNA methylation is highly associated with ageing and ageing‐related diseases. Remedy of the altered methylation pattern may provide beneficial efficacy in these diseases. In this study, we used a DNA methyltransferase inhibitor, RG108, to investigate the senescence effects in human bone marrow mesenchymal stromal cells (hBM‐MSCs). First, we determined the optimized dose and time of RG108 treatment in hBM‐MSCs to be 5 µM for 48 H, respectively. Under these conditions, the anti‐senescence genes TERT, bFGF, VEGF, and ANG were increased, whereas the senescence‐related genes ATM, p21, and p53 were decreased. The number of β‐galactosidase‐positive cells was significantly decreased in RG108‐treated MSCs, whereas the rates of MSC migration and cellular protection were increased. We have shown that RG108 significantly induces the expression of TERT by blocking methylation at the TERT promoter region. Thus, these data indicate that an optimized dose of RG108 may improve the cell migration, protection, cellular senescence, which may provide a better efficacy of these cells in stem cell therapy.
Adding a graphical output to a theorem prover: Results of a comparison of the acceptance from a teaching point of view
Authors: Maestro‐Prieto Jose A. , Simon‐Hurtado Arancha 
Published: May 2015

ABSTRACTThis article describes the experience and results obtained from teaching computational logic in an introductory course for undergraduates. The proposed teaching approach helps students to reach a deeper level of understanding in first order logic representation, computational logic procedures and automated theorem proving. The article includes the description of SLI, a theorem prover with a graphical output and the results of a survey to assess the acceptance of the tool. © 2015 Wiley Periodicals, Inc. Comput Appl Eng Educ 23:837–845, 2015; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21654
Conversion of a Mono‐ and Diacylglycerol Lipase into a Triacylglycerol Lipase by Protein Engineering
Authors: Lan Dongming , Popowicz Grzegorz Maria , Pavlidis Ioannis V. , Zhou Pengfei , Bornscheuer Uwe T. , Wang Yonghua 
Published: May 2015

AbstractDespite the fact that most lipases are believed to be active against triacylglycerides, there is a small group of lipases that are active only on mono‐ and diacylglycerides. The reason for this difference in substrate scope is not clear. We tried to identify the reasons for this in the lipase from Malassezia globosa. By protein engineering, and with only one mutation, we managed to convert this enzyme into a typical triacylglycerol lipase (the wild‐type lipase does not accept triacylglycerides). The variant Q282L accepts a broad spectrum of triacylglycerides, although the catalytic behavior is altered to some extent. From in silico analysis it seems that specific hydrophobic interactions are key to the altered substrate specificity.
Snapshot quiz – “Tattoo of Scheepers”
Authors: van den Boom Anne Loes , de Graaf Erlinde , Scheepers Joris J. G. 
Published: May 2015

Key Clinical MessageAn ink marker at the descending part of the gastrojejunostomy or duodenojejunostomy after a pancreaticoduodenectomy or pylorus‐preserving pancreaticoduodenectomy prevents a misplacing of a postoperative endoscopic intervention.
Recurrent undifferentiated shock: Idiopathic Systemic Capillary Leak Syndrome
Authors: Aroney Nicholas , Ure Stewart , White Hayden , Sane Sunil 
Published: May 2015

Key Clinical MessageIdiopathic Systemic Capillary Leak Syndrome is a potentially fatal disorder that is under diagnosed. It commonly presents as recurrent undifferentiated shock with hypotension, hypoalbuminemia and hemoconcentration. There are three distinct phases that define the syndrome; Prodromal, Extravasation and Recovery.
Infantile pyknocytosis, a rare cause of hemolytic anemia in newborns: report of two cases in twin girls and literature overview
Authors: El Nabouch Mohamad , Rakotoharinandrasana Iarolalao , Ndayikeza Alexis , Picard Véronique , Kayemba‐Kay's Simon 
Published: May 2015

Key Clinical MessageInfantile pyknocytosis is a rare cause of neonatal jaundice and hemolytic anemia. We report on two cases in twin girls that were diagnosed on peripheral blood smear reading. Pyknocytosis should be considered in cases of early unexplained severe hemolytic anemia, and systematic peripheral smear review performed. Its management consists of phototherapy and RBC transfusion.
Combined AFM/SECM Investigation of the Solid Electrolyte Interphase in Li‐Ion Batteries
Authors: Zampardi Giorgia , Klink Stefan , Kuznetsov Volodymyr , Erichsen Thomas , Maljusch Artjom , La Mantia Fabio , Schuhmann Wolfgang , Ventosa Edgar 
Published: May 2015

AbstractThe solid electrolyte interphase (SEI) is an electronically insulating film formed from the decomposition of the organic electrolyte at the surface of the negative electrodes in Li‐ion batteries (LIBs). This film is of vital importance in the performance and safety of LIBs. Atomic force microscopy (AFM) and scanning electrochemical microscopy (SECM) are combined in one platform for the consecutive in situ investigation of surface reactions in LIBs inside an Ar‐filled glovebox. As proof of concept, the formation and the electrochemical properties of the SEI formed on glassy carbon electrodes are investigated. Changes in topography during film formation of the SEI are studied via AFM. The AFM tip is then used to partially remove a small area (50×50 μm2) of the SEI, which is subsequently probed using SECM in feedback mode. The AFM‐scratched spot is clearly visualized in the SECM image, demonstrating the strength of the AFM/SECM combination for the investigation in the field of LIBs.
[P3Se4]+: A Binary Phosphorus–Selenium Cation
Authors: Feldmann Kai‐Oliver , Wiegand Thomas , Ren Jinjun , Eckert Hellmut , Breternitz Joachim , Groh Matthias F. , Müller Ulrike , Ruck Michael , Maryasin Boris , Ochsenfeld Christian , Schön Oliver , Karaghiosoff Konstantin , Weigand Jan J. 
Published: May 2015

AbstractAlthough a fairly large number of binary group 15/16 element cations have been reported, no example involving phosphorus in combination with a group 16 element has been synthesized and characterized to date. In this contribution is reported the synthesis and structural characterization of the first example of such a cation, namely a nortricyclane‐type [P3Se4]+. This cation has been independently discovered by three groups through three different synthetic routes, as described herein. The molecular and electronic structure of the [P3Se4]+ cage and its crystal properties in the solid state have been characterized comprehensively by using X‐ray diffraction, Raman, and nuclear magnetic resonance spectroscopies, as well as quantum chemical calculations.
Aluminiumchlorid‐katalysierter Organosolv‐Aufschluss von Buchenholz
Authors: Schwiderski Martin , Kruse Andrea 
Published: May 2015

AbstractDer Organosolv‐Aufschluss ist ein Verfahren, um lignocellulosehaltige Biomasse in ihre Bestandteile Cellulose, Hemicellulose und Lignin aufzutrennen. Üblicherweise wird dieses Verfahren Brønsted‐sauer‐katalysiert durchgeführt. In dieser Arbeit wird die Brønsted‐Säure durch die Lewis‐Säure Aluminiumchlorid ersetzt. Um ähnliche Produkteigenschaften des aufgeschlossenen Holzes, wie hoher Cellulosegehalt sowie hohe Hemicellulose‐ und Lignin‐Entfernung, zu erhalten, wird im Vergleich zur Schwefelsäure deutlich weniger Aluminiumchlorid benötigt. Außerdem katalysiert Aluminiumchlorid den Zerfall von Xylose zu den wichtigen Basischemikalien Furfural und Milchsäure.
Stem‐Cell Angiogenesis and Regeneration of the Heart: Review of a Saga of 2 Decades
Authors: Liebson Philip R. 
Published: May 2015

ABSTRACTAdvances in the novel approach to control ischemic heart disease and heart failure using stem cells or progenitor cells from bone marrow, mesenchyme, or myocardial tissue itself have demonstrated efficacy for increasing left ventricular function, decreasing infarct scar tissue, improving exercise tolerance and heart failure symptoms, and, in some studies, decreasing mortality and reducing rehospitalization for intractable angina or subsequent myocardial infarction. The most common techniques utilize injections of cells into the coronary vasculature or directly into specific areas of vulnerable myocardium. Although few adverse effects have been noted in clinical trials of these procedures, further clinical trials over the next decade should provide further advances in interventional techniques, ancillary supporting technologies to enhance cell regeneration, and applications in ischemic heart disease, cardiomyopathies, and cardiac genetic disorders.
A correlation‐based and spectrum‐aware admission control mechanism for multimedia streaming in cognitive radio sensor networks
Authors: Hosseini Elahe S. , Esmaeelzadeh Vahid , Berangi Reza , Akan Ozgur B. 
Published: May 2015

SummaryBandwidth management and traffic control are critical issues to guarantee the quality of service in cognitive radio networks. This paper exploits a network load refinement approach to achieve the efficient resource utilization and provide the required quality of service. A connection admission control approach is introduced in cognitive radio multimedia sensor networks to provide the data transmission reliability and decrease jitter and packet end‐to‐end delay. In this approach, the admission of multimedia flows is controlled based on multimedia sensors' correlation information and traffic characteristics. We propose a problem, connection admission control optimization problem, to optimize the connection admission control operation. Furthermore, using a proposed weighting scheme according to the correlation of flows issued by multimedia sensors enables us to convert the connection admission control optimization problem to a binary integer‐programming problem. This problem is a kind of a Knapsack problem that is solved by a branch and bound method. Simulation results verify the proposed admission control method's effectiveness and demonstrate the benefits of admission control and traffic management in cognitive radio multimedia sensor networks. Copyright © 2015 John Wiley & Sons, Ltd.
Ligand‐Field Strength and Symmetry‐Restricted Covalency in CuII Complexes – a Near‐Edge X‐ray Absorption Fine Structure Spectroscopy and Time‐Dependent DFT Study
Authors: Mangione Giulia , Pandolfo Luciano , Sambi Mauro , Ligorio Giovanni , Nardi Marco Vittorio , Cossaro Albano , Floreano Luca , Casarin Maurizio 
Published: May 2015

AbstractThe low‐lying empty orbitals of bis(acetylacetonato)copper have been probed by near‐edge X‐ray absorption fine structure (NEXAFS) spectroscopy at the Cu L2,3 edges and time‐dependent density functional theory (TDDFT) calculations within the Tamm–Dancoff approximation (TDA) coupled to the relativistic zeroth‐order regular approximation including spin–orbit effects (SO‐ZORA TDDFT‐TDA). Both the relative positions of NEXAFS features and their linear dichroism are satisfactorily reproduced. Moreover, a comparison with literature data pertaining to two other square‐planar CuII complexes ([CuCl4]2– and copper phthalocyanine) provided information about how metal‐to‐ligand charge‐transfer transitions associated with excitations from CuII 2p orbitals to low‐lying, ligand‐based π* molecular orbitals in a simplified one‐electron picture may contribute to the CuII L2,3 edge intensity and, thus, weaken its believed relationship with the CuII–ligand symmetry‐restricted covalency.
Ba5Tr2(Ge,Sn)2P8 and Ba5Tr5(Ga,Tt)2P12 (Tr = Al, Ga; Tt = Ge, Sn): Phosphides with Triel and Tetrel Mixing
Authors: Pan Ming‐Yan , Xia Sheng‐Qing , Liu Xiao‐Cun , Tao Xu‐Tang 
Published: May 2015

AbstractA series of new multinary phosphide Zintl compounds, Ba5Ga2GeSnP8, Ba5Al2GeSnP8, Ba5Ga6GeP12, and Ba5Ga6SnP12, have been synthesized through high‐temperature Pb or Sn flux reactions. The structures of the compounds, which have been determined by single‐crystal X‐ray diffraction, feature two different new structural types bearing various polyanion chain fragments. Ba5Tr2GeSnP8 (Tr = Al, Ga) crystallize in the monoclinic C2/m (No. 12) space group with cell parameters: a = 16.8211(10)/16.7586(21) Å, b = 6.0115(4)/6.0867(8) Å, c = 9.5873(6)/9.5983(12) Å, β = 111.9270(10)/112.1880(10)° for the Al‐ and Ga‐containing compounds, respectively. For Ba5Ga6TtP12 (Tt = Ge, Sn), the compounds belong to a different orthorhombic system [space group: Cmcm (No. 63)] with the cell dimensions: a = 10.5222(6)/10.5802(9) Å, b = 16.2717(10)/16.3529(14) Å, c = 13.9093(8)/13.9643(12) Å for Ba5Ga6GeP12 and Ba5Ga6SnP12. Despite the clear differences in the crystallographic parameters, these two types of structures are closely related through the [Tr2P4] and [Tr5P12] polyanion chains (Tr = triels) as well as the significant mixing between the triel and tetrel atoms. The close relationships between these phases and some previously reported analogues are also discussed in detail. Theoretical calculations based on DFT methods confirm the precise electron nature of these compounds, which are also consistent with results from crystallographic data and the optical absorption measurements.
Techno‐Economic Analysis of the Carbon Dioxide (CO2)–Ethane Azeotrope Separation for Natural Gas Processes
Authors: Hasanvandian Reza , Tavan Yadollah 
Published: May 2015

AbstractIn this study, the effect of feed‐splitting on energy demand as well as environmental and economic indicators of the extractive distillation of carbon dioxide (CO2)–ethane process are studied. An alternative process is proposed based on partial pre‐cooling of the feed stream to minimize the expensive energy requirements of the refrigeration cycle that produces the tower reflux. The results clearly demonstrate that the proposed process leads to a 55 % reduction of the refrigerant requirement in comparison to the conventional process and a significant reduction in the column energy demand.
Effects of management and co‐digestion on life cycle emissions and energy from anaerobic digestion
Authors: Aguirre‐Villegas Horacio A. , Larson Rebecca , Reinemann Douglas J. 
Published: May 2015

AbstractThis study applies life cycle assessment (LCA) techniques to evaluate the processes controling the environmental impacts of anaerobic digestion (AD) pathways on a modeled dairy farm setting representative of Wisconsin. Seven electricity‐producing AD pathways are compared against a base‐case (BC) pathway to understand the effect of management practices, co‐digestion strategies, and energy conversion processes on greenhouse gas (GHG) emissions, ammonia (NH3) emissions, depletion of fossil fuels (DFF), and nutrient balances. The pathway selected has a substantial influence on the estimates of environmental impacts. GHG emissions range from 178 to 267 kg CO2‐eq GJ−1, NH3 emissions range from 11 to 18 kg GJ−1, DFF range from 176 to 327 MJ GJ−1, and N availability ranges from 7 to 15 kg GJ−1 of produced energy. The results of this paper show that the environmental benefits and concerns of anaerobic digestion systems can be further improved with the adoption of management practices on‐farm. Injection of digestate during land application is an effective management practice to reduce NH3 emissions, which at the same time increases N availability and reduces GHG emissions and DFF given that the manufacturing of purchased fertilizers is fossil energy intensive. Co‐digesting manure with corn stover and switchgrass increases energy production. Recovering heat has proven to be an easy to adopt strategy that improves all sustainability indicators without implementing major operational changes. Finally, 100 kg CO2‐eq GJ−1, 4.2 kg NH3 GJ−1 and 566 MJ GJ−1 are determined for GHG emissions, NH3 emissions and DFF respectively for a compressed biogas pathway. © 2015 Society of Chemical Industry and John Wiley & Sons, Ltd