bluuebunny/crossref_metadata_2025_split huggingface dataset:
Imidazolin‐2‐ylidenaminophosphines as Highly Electron‐Rich Ligands for Transition‐Metal Catalysts
Authors: Wünsche Marius A. , Mehlmann Paul , Witteler Tim , Buß Florenz , Rathmann Patrick , Dielmann Fabian 
Published: August 2015

AbstractA variety of chemical transformations benefit from the use of strong electron‐donating ancillary ligands, such as alkylphosphines or N‐heterocyclic carbenes when electron‐rich metal centers are required. Herein, we describe a facile and highly modular access to monodentate and bidentate imidazolin‐2‐ylidenamino‐substituted phosphines. Evaluation of the phosphine’s electronic properties substantiate that the formal replacement of alkyl or aryl groups by imidazolin‐2‐ylidenamino groups dramatically enhance their donor ability beyond that of alkylphosphines and even N‐heterocyclic carbenes. The new phosphines have been coordinated onto palladium(II) centers, and the beneficial effect of the novel substitution patterns has been explored by using the corresponding complexes in the palladium‐catalyzed Suzuki–Miyaura cross‐coupling reaction of non‐activated aryl chloride substrates.
Acid‐Mediated Formation of Radicals or Baeyer–Villiger Oxidation from Criegee Adducts
Authors: Schweitzer‐Chaput Bertrand , Kurtén Theo , Klussmann Martin 
Published: August 2015

AbstractThe acid‐mediated reaction of ketones with hydroperoxides generates radicals, a process with reaction conditions similar to those of the Baeyer–Villiger oxidation but with an outcome resembling the formation of hydroxyl radicals via ozonolysis in the atmosphere. The Baeyer–Villiger oxidation forms esters from ketones, with the preferred use of peracids. In contrast, alkyl hydroperoxides and hydrogen peroxide react with ketones by condensation to form alkenyl peroxides, which rapidly undergo homolytic OO bond cleavage to form radicals. Both reactions are believed to proceed via Criegee adducts, but the electronic nature of the peroxide residue determines the subsequent reaction pathways. DFT calculations and experimental results support the idea that, unlike previously assumed, the Baeyer–Villiger reaction is not intrinsically difficult with alkyl hydroperoxides and hydrogen peroxide but rather that the alternative radical formation is increasingly favored.
Morphometric Study of Diabetes Related Alterations in Human Parotid Gland and Comparison with Submandibular Gland
Authors: Lilliu Maria Alberta , Loy Francesco , Cossu Margherita , Solinas Paola , Isola Raffaella , Isola Michela 
Published: August 2015

ABSTRACTType 2 diabetes mellitus represents one of the principal diseases that afflict the world population and is often associated with malfunction of salivary glands and consequent oral diseases. We recently described significant ultrastructural alterations in the human submandibular gland in diabetic patients without evident oral pathologies. Herein, an analogs morphometrical investigation was focused on the parotid gland in order to evaluate if one of the two glands is more affected by diabetes. Parotid fragments from diabetic and nondiabetic patients were fixed, dehydrated, and processed for light and electron microscopy. Serous cells were randomly photographed and the density and size of several structures involved in the secretory process were examined by morphometry. Scanning electron microscopy images revealed significant changes in the number of apically docked granules and vesicles, suggesting that the last steps in exocytosis are somehow altered in diabetic cells. Other variables analyzed by light and transmission electron microscopy such as the size of acini and secretory granules did not show significant changes, but comparison with previous data obtained with submandibular gland cells demonstrated that the two glands are affected differently. Anat Rec, 298:1911–1918, 2015. © 2015 Wiley Periodicals, Inc.
Studies of the mechanism of an antibacterial peptide (cecropinA–magainin) on methicillin‐resistant Staphylococcus aureus membranes
Authors: Yu Longmei , Zhu Mingxing , Liu Erqiang , Yang Tiantian , Chen Xiangjun , Wang Xiuqing 
Published: August 2015

AbstractAs bacterial resistance becomes increasingly common, a new hybrid peptide, cecropinA–magainin (KWALSKEGPGKFLGKKKKF), has been developed that can kill a broad spectrum of bacteria without damaging human cells. The mechanism of antibacterial toxicity for the hybrid peptides is unknown. Herein, we investigate the localization of the hybrid peptide in methicillin‐resistant Staphylococcus aureus (MRSA). The minimum inhibitory concentration was 64 µg/mL. The hybrid peptides could enhance the hydrophobicity of MRSA. Dye leakage experiments showed that the hybrid peptides caused dye leakage from liposomes. The hybrid peptides influenced the permeability of the outer membrane and plasma membrane of MRSA. After cecropinA–magainin treatment of MRSA, the membrane ultrastructure was damaged and the concentration of K+ increased. Ultimately, the peptide destroyed the integrity of the bacterial cell membrane, allowing the dye propidium iodide to enter the cytoplasm. Therefore, the hybrid antibacterial peptide can kill MRSA.
Patterns of early resuscitation associated with mortality after penetrating injuries
Authors:   Committee on Emergency Medicine, Intensive Care and Trauma Management of the German Trauma Society (Section NIS), Wafaisade A , Paffrath T , Lefering R , Ludwig C , Fröhlich M , Mutschler M , Banerjee M , Bouillon B , Probst C 
Published: August 2015

Abstract

Background
Penetrating injuries are rare in European populations so their management represents a particular challenge. The aim was to assess early therapeutic aspects that are associated with favourable outcomes in patients with penetrating trauma.

Methods
Patients with penetrating injuries documented from 2009 to 2013 in the TraumaRegister DGU® were analysed. Patients with a primary admission and an Injury Severity Score (ISS) of at least 9 were included. The Revised Injury Severity Classification (RISC) II score was used for mortality prediction, and a standardized mortality ratio (SMR) calculated per hospital. Hospitals with favourable outcome (SMR below 1) were compared with those with poor outcome (SMR 1 or more).

Results
A total of 50 centres had favourable outcome (1242 patients; observed mortality rate 15·7 per cent) and 34 centres had poor outcome (918 patients; observed mortality rate 24·4 per cent). Predicted mortality rates according to RISC-II were 20·4 and 20·5 per cent respectively. Mean(s.d.) ISS values were 22(14) versus 21(14) (P = 0·121). Patients in the favourable outcome group had a significantly shorter time before admission to hospital and a lower intubation rate. They received smaller quantities of intravenous fluids on admission to the emergency room, but larger amounts of fresh frozen plasma, and were more likely to receive haemostatic agents. A higher proportion of patients in the favourable outcome group were treated in a level I trauma centre. Independent risk factors for hospital death following penetrating trauma identified by multivariable analysis included gunshot injury mechanism and treatment in non-level I centres.

Conclusion
Among penetrating traumas, gunshot injuries pose an independent risk of death. Treatment of penetrating trauma in a level I trauma centre was significantly and independently associated with lower hospital mortality.
Multicentre randomized clinical trial to investigate the cost-effectiveness of an allogeneic single-donor fibrin sealant after coronary artery bypass grafting (FIBER Study)
Authors: Tavilla G , Bruggemans E F , Gielen C L I , Brand A , van den Hout W B , Klautz R J M , van Hilten J A 
Published: August 2015

Abstract

Background
Reduction of blood transfusion in cardiac surgery is an important target. The aim of this study was to investigate the cost-effectiveness of the use of CryoSeal®, an allogeneic single-donor fibrin sealant, in patients undergoing coronary artery bypass grafting (CABG).

Methods
This randomized clinical study involved seven cardiac surgery centres in the Netherlands. Patients undergoing elective isolated CABG with the use of at least one internal thoracic artery (ITA) graft were assigned randomly to receive either CryoSeal® (5 ml per ITA bed) or no CryoSeal®. Primary efficacy endpoints were units of transfused red blood cells, fresh frozen plasma and platelet concentrates, and duration of intensive care unit stay. Secondary efficacy endpoints were 48-h blood loss, reoperation for bleeding, mediastinitis, 30-day mortality and duration of hospital stay.

Results
Between March 2009 and January 2012, 1445 patients were randomized. The intention-to-treat (ITT) population comprised 1436 patients; the per-protocol (PP) population 1292. In both the ITT and the PP analysis, no significant difference between the treatment groups was observed for any of the primary and secondary efficacy endpoints. In addition, no significant difference between the groups was seen in the proportion of transfused patients. Estimated CryoSeal® costs were €822 (95 per cent c.i. €808 to €836) per patient, which translated to €72 000 per avoided transfusion (unbounded 95 per cent c.i.).

Conclusion
The use of the fibrin sealant CryoSeal® did not result in health benefits. Combined with the high cost per avoided transfusion, this study does not support the implementation of routine CryoSeal® use in elective isolated CABG. Registration number: NTR1386 (http://www.trialregister.nl).
HPTLC and GC/MS Study of Amaryllidaceae Alkaloids of Two Narcissus Species
Authors: Shawky Eman , Abou‐Donia Amina H. , Darwish Fikria A. , Toaima Soad M. , Takla Sarah S. , Pigni Natalia B. , Bastida Jaume 
Published: August 2015

AbstractIn this article, we report on the alkaloid profile and dynamic of alkaloid content and diversity in two Narcissus plants at different stages of development. The alkaloid profile of the two Narcissus species was investigated by GC/MS and HPTLC. Fifty eight Amaryllidaceae alkaloids were detected, and 25 of them were identified in the different organs of N. tazetta and N. papyraceus. The alkaloid 3‐O‐methyl‐9‐O‐demethylmaritidine is tentatively identified here for the first time from the Amaryllidaceae family, and four alkaloids (tazettamide, sternbergine, 1‐O‐acetyllycorine, 2,11‐didehydro‐2‐dehydroxylycorine) are tentatively identified for the first time in the genus Narcissus. The different organs of the two species analyzed showed remarkable differences in their alkaloid pattern, type of biosynthesis, main alkaloid and number of alkaloids. Lycorine‐type alkaloids dominated the alkaloid, metabolism in N. papyraceus, while alkaloids of narciclasine‐, galanthamine‐ and homolycorine‐types were found only in the species N. tazetta L.
Widening the Product Profile of Carbon Dioxide Reduction by Vanadium Nitrogenase
Authors: Rebelein Johannes G. , Hu Yilin , Ribbe Markus W. 
Published: August 2015

AbstractTwo reaction systems based on vanadium nitrogenase were previously shown to reduce CO2 to hydrocarbons: 1) an enzyme‐based system that used both components of V nitrogenase for ATP‐dependent reduction of CO2 to ≤C2 hydrocarbons; and 2) a cofactor‐based system that employed SmI2 to supply electrons to the isolated V cluster for an ATP‐independent reduction of CO2 to ≤C3 hydrocarbons. Here, we report ATP‐independent reduction of CO2 to hydrocarbons by a reaction system comprising EuII DTPA and the VFe protein of V nitrogenase. Combining features of both enzyme‐ and cofactor‐based systems, this system exhibits improved C−C coupling and a broader product profile of ≤C4 hydrocarbons. The C−C coupling does not employ CO2‐derived CO, and it is significantly enhanced in D2O. These observations afford initial insights into the characteristics of this unique reaction and provide a potential template for future design of catalysts to recycle the greenhouse gas CO2 into useful products.
Ultrafine Pd Nanoparticles Anchored on Porous 1,6‐Hexanediamine‐Functionalized Graphene as a Promising Catalyst towards Ethanol Oxidation in Alkaline Media
Authors: Ren Fangfang , Zhang Ke , Bin Duan , Yang Beibei , Wang Huiwen , Yang Ping , Fei Zhenghao , Du Yukou 
Published: August 2015

AbstractA novel composite catalyst of Pd nanoparticles supported on 1,6‐hexanediamine‐functionalized reduced graphene oxide (HD‐RGO) has been successfully synthesized by a facile chemical method. The as‐synthesized composite catalyst has been extensively characterized by Fourier transform infrared spectroscopy, X‐ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, X‐ray diffraction, and electrochemical tests. TEM images show that Pd nanoparticles with smaller diameters of (3.30±1.20) nm are more evenly dispersed on the HD‐RGO surface than those supported on RGO. Electrochemical tests reveal that the as‐prepared Pd/HD‐RGO catalyst displays higher electrocatalytic activity, better tolerance, and better electrochemical stability toward ethanol oxidation in alkaline media in comparison with Pd/RGO and commercial Pd/C catalysts. The Pd/HD‐RGO catalyst may be a promising potential catalyst in direct ethanol fuel cells.
Decreasing Side Products and Increasing Selectivity in the Tandem Hydroformylation/Acyloin Reaction
Authors: Ostrowski Karoline A. , Faßbach Thiemo A. , Vogelsang Dennis , Vorholt Andreas J. 
Published: August 2015

AbstractA highly selective catalyst system was developed for the recently discovered tandem hydroformylation/acyloin reaction by systematic investigations and changes of reaction conditions. This new catalyst system is characterized by an excellent selectivity of the desired reaction pathway with negligible amounts of side products. A successful application of the tandem hydroformylation/acyloin reaction to a variety of olefins is enabled with comparable excellent selectivities up to >99 % for the first and second reaction step, therefore a general synthesis for the conversion of olefins into acyloins is found. Furthermore, very good to excellent yields for the intermediates and final acyloin products were observed within two catalysed reactions in one preparative step. The acyloin product was applied as a nonpolar precursor for surfactants. After attaching a polar head group to the acyloin and determination of tensiometric data, the molecule showed industrial relevant surface‐active properties.
Li17Sb13S28: A New Lithium Ion Conductor and addition to the Phase Diagram Li2S–Sb2S3
Authors: Huber Sebastian , Pfitzner Arno 
Published: August 2015

AbstractLi17Sb13S28 was synthesized by solid‐state reaction of stoichiometric amounts of anhydrous Li2S and Sb2S3. The crystal structure of Li17Sb13S28 was determined from dark‐red single crystals at room temperature. The title compound crystallizes in the monoclinic space group C2/m (no. 12) with a=12.765(2) Å, b=11.6195(8) Å, c=9.2564(9) Å, β=119.665(6)°, V=1193.0(2) Å3, and Z=4 (data at 20 °C, lattice constants from powder diffraction). The crystal structure contains one cation site with a mixed occupation by Li and Sb, and one with an antimony split position. Antimony and sulfur form slightly distorted tetragonal bipyramidal [SbS5E] units (E=free electron pair). Six of these units are arranged around a vacancy in the anion substructure. The lone electron pairs E of the antimony(III) cations are arranged around these vacancies. Thus, a variant of the rock salt structure type with ordered vacancies in the anionic substructure results. Impedance spectroscopic measurements of Li17Sb13S28 show a specific conductivity of 2.9×10−9 Ω−1 cm−1 at 323 K and of 7.9×10−6 Ω−1 cm−1 at 563 K, the corresponding activation energy is EA=0.4 eV below 403 K and EA=0.6 eV above. Raman spectra are dominated by the SbS stretching modes of the [SbS5] units at 315 and 341 cm−1 at room temperature. Differential thermal analysis (DTA) measurements of Li17Sb13S28 indicate peritectic melting at 854 K.
Fate of Plant Available Nutrients during Hydrothermal Carbonization of Digestate
Authors: Funke Axel 
Published: August 2015

AbstractProducts from the hydrothermal carbonization of two digestates have been analyzed in order to investigate the fate of nitrogen, phosphorus, and potassium in specific plant available speciations. The availability of phosphate and potassium ions was significantly increased due to hydrothermal carbonization of a nutrient‐rich digestate. In contrast, the availability of NH4+ and PO43− in the process liquor was decreased to < 10 % of the original value in the case of a nutrient‐poor digestate. With the exception of nitrate, process parameters did not show an influence on the recovery of the investigated ions with the HTC process liquor.
4‐OH‐TEMPO/TCQ/TBN/HCl: A Metal‐Free Catalytic System for Aerobic Oxidation of Alcohols under Mild Conditions
Authors: Dong Yanli , Zhao Xiaomei , Liu Renhua 
Published: August 2015

AbstractA green and economical catalyst system, 4‐OH‐TEMPO/TCQ/TBN/HCl, for the aerobic oxidation of a broad range of primary and secondary alcohols to the corresponding carbonyl compounds has been developed. These reactions proceed without transition‐metals under mild conditions with excellent yields.
AgOTf‐Catalyzed Tandem Reaction of Oxabenzonorbornadienes with Arylacetylenes
Authors: Zhou Yongyun , Liu Shanshan , Chen Hualei , Chen Jingchao , Sun Weiqing , Li Sifeng , Yang Qingjing , Fan Baomin 
Published: August 2015

AbstractA tandem isomerization/hydroarylation reaction of oxabenzonorbornadienes and arylacetylenes was realized by using AgOTf as catalyst. 1,1‐Diarylethylenes could be easily generated as products in moderate to good yields in this tandem reaction.
Pd‐Catalyzed Synthesis of α‐Aryl Vinylphosphonates via Suzuki Arylation of α‐Phosphonovinyl Nonaflates
Authors: Yuan Meijuan , Fang Yewen , Zhang Li , Jin Xiaoping , Tao Minjia , Ye Qilin , Li Ruifeng , Li Jinjian , Zheng Hui , Gu Juejun 
Published: August 2015

AbstractThe first palladium‐catalyzed method for the arylation of α‐phosphonovinyl nonaflates is described. Using a catalyst comprised of Pd(OAc)2 and SPhos, terminal and internal α‐aryl vinylphosphonates could be efficiently accessed under mild conditions. The reaction features a broad coupling partner scope and tolerates many functional groups.
Potent Synergy between Spirocyclic Pyrrolidinoindolinones and Fluconazole against Candida albicans
Authors: Premachandra Ilandari Dewage Udara Anulal , Scott Kevin A. , Shen Chengtian , Wang Fuqiang , Lane Shelley , Liu Haoping , Van Vranken David L. 
Published: August 2015

AbstractA spiroindolinone, (1S,3R,3aR,6aS)‐1‐benzyl‐6′‐chloro‐5‐(4‐fluorophenyl)‐7′‐methylspiro[1,2,3a,6a‐tetrahydropyrrolo[3,4‐c]pyrrole‐3,3′‐1H‐indole]‐2′,4,6‐trione, was previously reported to enhance the antifungal effect of fluconazole against Candida albicans. A diastereomer of this compound was synthesized, along with various analogues. Many of the compounds were shown to enhance the antifungal effect of fluconazole against C. albicans, some with exquisite potency. One spirocyclic piperazine derivative, which we have named synazo‐1, was found to enhance the effect of fluconazole with an EC50 value of 300 pM against a susceptible strain of C. albicans and going as low as 2 nM against some resistant strains. Synazo‐1 exhibits true synergy with fluconazole, with an FIC index below 0.5 in the strains tested. Synazo‐1 exhibited low toxicity in mammalian cells relative to the concentrations required for antifungal synergy.
Evolutionary origin of Tbr2‐expressing precursor cells and the subventricular zone in the developing cortex
Authors: Martínez‐Cerdeño Verónica , Cunningham Christopher L. , Camacho Jasmin , Keiter Janet A. , Ariza Jeanelle , Lovern Matthew , Noctor Stephen C. 
Published: August 2015

ABSTRACTThe subventricular zone (SVZ) is greatly expanded in primates with gyrencephalic cortices and is thought to be absent from vertebrates with three‐layered, lissencephalic cortices, such as the turtle. Recent work in rodents has shown that Tbr2‐expressing neural precursor cells in the SVZ produce excitatory neurons for each cortical layer in the neocortex. Many excitatory neurons are generated through a two‐step process in which Pax6‐expressing radial glial cells divide in the VZ to produce Tbr2‐expressing intermediate progenitor cells, which divide in the SVZ to produce cortical neurons. We investigated the evolutionary origin of SVZ neural precursor cells in the prenatal cerebral cortex by testing for the presence and distribution of Tbr2‐expressing cells in the prenatal cortex of reptilian and avian species. We found that mitotic Tbr2+ cells are present in the prenatal cortex of lizard, turtle, chicken, and dove. Furthermore, Tbr2+ cells are organized into a distinct SVZ in the dorsal ventricular ridge (DVR) of turtle forebrain and in the cortices of chicken and dove. Our results are consistent with the concept that Tbr2+ neural precursor cells were present in the common ancestor of mammals and reptiles. Our data also suggest that the organizing principle guiding the assembly of Tbr2+ cells into an anatomically distinct SVZ, both developmentally and evolutionarily, may be shared across vertebrates. Finally, our results indicate that Tbr2 expression can be used to test for the presence of a distinct SVZ and to define the boundaries of the SVZ in developing cortices. J. Comp. Neurol. 524:433–447, 2016. © 2015 Wiley Periodicals, Inc.
Demystifying the 16 × 16 thread‐block for stencils on the GPU
Authors: Tabik Siham , Peemen Maurice , Guil Nicolas , Corporaal Henk 
Published: August 2015

SummaryStencil computation is of paramount importance in many fields, in image processing, structural biology and biomedicine, among others. There exists a permanent demand of maximizing the performance of stencils on state‐of‐the‐art architectures, such graphics processing units (GPUs). One of the important issues when optimizing these kernels for the GPU is the selection of the best thread‐block that maximizes the overall performance. Usually, programmers look for the optimal thread‐block configuration in a reduced space of square thread‐block configurations or simply use the best configurations reported in previous works, which is usually 16 × 16. This paper provides a better understanding of the impact of thread‐block configurations on the performance of stencils on the GPU. In particular, we model locality and parallelism and consider that the optimal configurations are within the space that provides: (1) a small number of global memory communications; (2) a good shared memory utilization with small numbers of conflicts; (3) a good streaming multi‐processors utilization; and (4) a high efficiency of the threads within a thread‐block. The model determines the set of optimal thread‐block configurations without the need of executing the code. We validate the proposed model using six stencils with different halo widths and show that it reduces the optimization space to around 25% of the total valid space. The configurations in this space achieve at least a throughput of 75% of the best configuration and guarantee the inclusion of the best configurations. Copyright © 2015 John Wiley & Sons, Ltd.