bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling spatiotemporal impacts of hydroclimatic extremes on groundwater recharge at a Mediterranean karst aquifer
Authors: Hartmann Andreas , Mudarra Matías , Andreo Bartolomé , Marín Ana , Wagener Thorsten , Lange Jens 
Published: July 2014

AbstractKarst aquifers provide large parts of the water supply for Mediterranean countries, though climate change is expected to have a significant negative impact on water availability. Recharge is therefore a key variable that has to be known for sustainable groundwater use. In this study, we present a new approach that combines two independent methods for karst recharge estimation. The first method derives spatially distributed information of mean annual recharge patterns through GIS analysis. The second is a process‐based karst model that provides spatially lumped but temporally distributed information about recharge. By combining both methods, we add a spatial reference to the lumped simulations of the process‐based model. In this way, we are able to provide spatiotemporal information of recharge and subsurface flow dynamics also during varying hydroclimatic conditions. We find that there is a nonlinear relationship between precipitation and recharge rates resulting in strong decreases of recharge following even moderate decreases of precipitation. This is primarily due to almost constant actual evapotranspiration amounts despite varying hydroclimatic conditions. During the driest year in the record, almost the entire precipitation was consumed as actual evapotranspiration and only little diffuse recharge took place at the high altitudes of our study site. During wettest year, recharge constituted a much larger fraction of precipitation and occurred at the entire study site. Our new method and our findings are significant for decision makers in similar regions that want to prepare for possible changes of hydroclimatic conditions in the future.
Un détail de ce qui change: Function of a Function
Authors: Macapia Peter 
Published: July 2014

AbstractWhy should computation be leading to a bifurcation in architectural detailing, resulting in a simultaneous, and opposing, tendency towards either greater precision in fabrication or increasing plasticity? Architectural designer and theorist Peter Macapia asks what is driving these propensities in computation, and what in turn historically might be the relation between the detail and force. What comes into play now, though, when architectural style is no longer identified by a taxonomy of parts, or a vocabulary of orders, but rather by a network of forces and functions correlating actions? How might economic and political power be interacting with force, the diagram and function in contemporary design?
Gold‐ and Silver‐Catalyzed [4+2] Cycloadditions of Ynamides with Oxetanes and Azetidines
Authors: Pawar Samir Kundlik , Vasu Dhananjayan , Liu Rai‐Shung 
Published: July 2014

AbstractGold‐catalyzed [4+2] cycloadditions between ynamides and oxetanes are described; these reactions involve oxetanes and gold‐π‐ynamides as nucleophiles and electrophiles, respectively. Excellent cycloaddition regioselectivities are achieved over a reasonable range of ynamide and oxetane substrates. For azetidines, their [4+2] cycloadditions with ynamides are implemented more efficiently with silver hexafluoroantimonate, which is also compatible with various ynamides and azetidines. These two cycloadditions provide facile accesses to six‐membered heterocycles such as 6‐amino‐3,4‐dihydro‐2H‐pyrans and 2‐amino‐1,4,5,6‐tetrahydropyridines.magnified image
Phosphine‐Free, Efficient Double Carbonylation of Aryl Iodides with Amines Catalyzed by Water‐Insoluble and Water‐Soluble N‐Heterocyclic Carbene–Amine Palladium Complexes
Authors: Wang Yan , Yang Xiaolong , Zhang Chunyan , Yu Jianqiang , Liu Jianhua , Xia Chungu 
Published: July 2014

AbstractThe water‐insoluble and water‐soluble N‐heterocyclic carbene (NHC)–amine palladium complexes, Ipr‐Pd(deba)Cl and SO3‐Ipr‐Pd(deba)Cl, were synthesized. Both catalysts exhibit excellent activity in the phosphine‐free double carbonylation of aryl iodides with amines to produce α‐keto amides. Moreover, as the water‐soluble catalyst exhibits significant compatibility in the aqueous phase with the activities of different Pd‐NHC complexes, we conclude that the intramolecular amine ligand strongly affects the selectivity of the products in double carbonylation reaction and serves as an alternative of phosphine ligands.magnified image
Regio‐ and Stereoselective Dimerization of Arylacetylenes and Optical and Electrochemical Studies of (E)‐1,3‐Enynes
Authors: Morozov Oleg S. , Asachenko Andrey F. , Antonov Denis V. , Kochurov Vitaly S. , Paraschuk Dmitry Yu. , Nechaev Mikhail S. 
Published: July 2014

AbstractThe N‐heterocyclic carbene palladium complex (SIPr)Pd(cinnamyl)Cl [SIPr=N,N′‐bis(2,4,6‐trimethylphenyl)‐4,5‐dihydroimidazol‐2‐ylidene) promotes regio‐ and stereospecific dimerization of a variety of arylalkynes to give (E)‐1,3‐enynes in good to excellent yields. An efficient and practical procedure for their synthesis was developed using a biphasic aqueous alkali/heptane system. Optical and electronic properties of (E)‐1,3‐enynes are highly tunable. Depending on the nature of the substituents, HOMO energies vary in the range 5.3–6.0 eV. (E)‐1,3‐Enynes can exhibit intense photoluminescence in the spectral region 350–500 nm.magnified image
A Sulfur Ylides‐Mediated Domino Benzannulation Strategy to Construct Biaryls, Alkenylated and Alkynylated Benzene Derivatives
Authors: Gao Fei , Huang You 
Published: July 2014

AbstractAn efficient domino benzannulation strategy with the participation of sulfur ylides for the construction of biaryl compounds is disclosed. It could also be extended to the synthesis of alkenylated and alkynylated benzene derivatives under mild conditions. This versatile strategy combined with traditional metal‐catalyzed cross‐coupling methods should offer a practical route to construct complex multiaryl compounds.magnified image
Tau reduction prevents disease in a mouse model of Dravet syndrome
Authors: Gheyara Ania L. , Ponnusamy Ravikumar , Djukic Biljana , Craft Ryan J. , Ho Kaitlyn , Guo Weikun , Finucane Mariel M. , Sanchez Pascal E. , Mucke Lennart 
Published: July 2014

ObjectiveReducing levels of the microtubule‐associated protein tau has shown promise as a potential treatment strategy for diseases with secondary epileptic features such as Alzheimer disease. We wanted to determine whether tau reduction may also be of benefit in intractable genetic epilepsies.MethodsWe studied a mouse model of Dravet syndrome, a severe childhood epilepsy caused by mutations in the human SCN1A gene encoding the voltage‐gated sodium channel subunit Nav1.1. We genetically deleted 1 or 2 Tau alleles in mice carrying an Nav1.1 truncation mutation (R1407X) that causes Dravet syndrome in humans, and examined their survival, epileptic activity, related hippocampal alterations, and behavioral abnormalities using observation, electroencephalographic recordings, acute slice electrophysiology, immunohistochemistry, and behavioral assays.ResultsTau ablation prevented the high mortality of Dravet mice and reduced the frequency of spontaneous and febrile seizures. It reduced interictal epileptic spikes in vivo and drug‐induced epileptic activity in brain slices ex vivo. Tau ablation also prevented biochemical changes in the hippocampus indicative of epileptic activity and ameliorated abnormalities in learning and memory, nest building, and open field behaviors in Dravet mice. Deletion of only 1 Tau allele was sufficient to suppress epileptic activity and improve survival and nesting performance.InterpretationTau reduction may be of therapeutic benefit in Dravet syndrome and other intractable genetic epilepsies. Ann Neurol 2014;76:443–456
Integration of Platinum Nanoparticles with a Volumetric Bar‐Chart Chip for Biomarker Assays
Authors: Song Yujun , Xia Xuefeng , Wu Xifeng , Wang Ping , Qin Lidong 
Published: July 2014

AbstractPlatinum nanoparticles (PtNPs) efficiently catalyze the transformation of H2O2 into oxygen gas. However, owing to the lack of an efficient approach or device that can measure the produced oxygen gas, the catalytic reaction has never been used for diagnostic applications. Microfluidics technology provides a platform that meets these requirements. The volumetric bar‐chart chip (V‐Chip) volumetrically measures the production of oxygen gas by PtNPs and can be integrated with ELISA technology to provide visible and quantitative readouts without expensive instrumentation or complicated data processing. Herein we show that PtNPs outperform catalase with respect to stability at high H2O2 concentrations or temperatures or in long‐term reactions, and are resistant to most catalase inhibitors. We also show that the catalase‐like activity of PtNPs can be used in combination with the V‐Chip to sensitively and specifically detect cancer biomarkers both in serum and on the cell surface.
Photothermal Conversion of CO2 into CH4 with H2 over Group VIII Nanocatalysts: An Alternative Approach for Solar Fuel Production
Authors: Meng Xianguang , Wang Tao , Liu Lequan , Ouyang Shuxin , Li Peng , Hu Huilin , Kako Tetsuya , Iwai Hideo , Tanaka Akihiro , Ye Jinhua 
Published: July 2014

AbstractThe photothermal conversion of CO2 provides a straightforward and effective method for the highly efficient production of solar fuels with high solar‐light utilization efficiency. This is due to several crucial features of the Group VIII nanocatalysts, including effective energy utilization over the whole range of the solar spectrum, excellent photothermal performance, and unique activation abilities. Photothermal CO2 reaction rates (mol h−1 g−1) that are several orders of magnitude larger than those obtained with photocatalytic methods (μmol h−1 g−1) were thus achieved. It is proposed that the overall water‐based CO2 conversion process can be achieved by combining light‐driven H2 production from water and photothermal CO2 conversion with H2. More generally, this work suggests that traditional catalysts that are characterized by intense photoabsorption will find new applications in photo‐induced green‐chemistry processes.
First Stabilization of 14‐Electron Rhodium(I) Complexes by Hemichelation
Authors: Werlé Christophe , Bailly Corinne , Karmazin‐Brelot Lydia , Le Goff Xavier‐Frédéric , Pfeffer Michel , Djukic Jean‐Pierre 
Published: July 2014

AbstractHemichelation is emerging as a new mode of coordination where non‐covalent interactions crucially contribute to the cohesion of electron‐unsaturated organometallic complexes. This study discloses an unprecedented demonstration of this concept to a Group 9 metal, that is, RhI. The syntheses of new 14‐electron RhIcomplexes were achieved by choosing theanti‐[(η6:η6‐fluorenyl){Cr(CO)3}2] anion as the ambiphilic hemichelating ligand, which was treated with [{Rh(nbd)Cl}2] (nbd=norbornadiene) and [{Rh(CO)2Cl}2]. The new T‐shaped RhIhemichelates were characterized by analytical and structural methods. Investigations using the methods of the DFT and electron‐density topology analysis (NCI region analysis, QTAIM theory) confirmed the closed‐shell, non‐covalent and attractive characters of the interaction between the RhIcenter and the proximal Cr(CO)3moiety. This study shows that, by appropriate tuning of the electronic properties of the ambiphilic ligand, truly coordination‐unsaturated RhIcomplexes can be synthesized in a manageable form.
Highly Efficient “On Water” Catalyst‐Free Nucleophilic Addition Reactions Using Difluoroenoxysilanes: Dramatic Fluorine Effects
Authors: Yu Jin‐Sheng , Liu Yun‐Lin , Tang Jing , Wang Xin , Zhou Jian 
Published: July 2014

AbstractA remarkable fluorine effect on “on water” reactions is reported. The CF⋅⋅⋅HO interactions between suitably fluorinated nucleophiles and the hydrogen‐bond network at the phase boundary of oil droplets enable the formation of a unique microstructure to facilitate on water catalyst‐free reactions, which are difficult to realize using nonfluorinated substrates. Accordingly, a highly efficient on water, catalyst‐free reaction of difluoroenoxysilanes with aldehydes, activated ketones, and isatylidene malononitriles was developed, thus leading to the highly efficient synthesis of a variety of α,α‐difluoro‐β‐hydroxy ketones and quaternary oxindoles.
Preparation and characterization of high‐selectivity hollow fiber composite nanofiltration membrane by two‐way coating technique
Authors: Li Hongbin , Wang Wei , Zhang Yufeng 
Published: July 2014

ABSTRACTA novel coating technique, named as two‐way coating (TWC), was explored to prepare hollow fiber composite (HFC) nanofiltration (NF) membrane through interfacial polymerization from piperazine (PIP) and trimesoyl chloride (TMC) on the lumen side of hollow fiber polysulfone ultrafiltration membrane with an effective membrane area of 0.4 m2. The optimum preparation conditions were systematically investigated and obtained as follows: PIP 0.023 mol/L, TMC 0.0057 mol/L, air blowing rate 2.7 m/s for 30 min after aqueous coating, aqueous coating pressure 0.1 MPa, organic solution flowing rate 0.32 m/s, and heat treating time 3 min. The resultant HFC membrane showed a high selectivity of divalent ion and monovalent ion. Salt rejections of MgSO4 and NaCl were 98.13 and 18.6% with the permeate flux of 32.6 and 40.2 L m−2 h−1 at 0.7 MPa, respectively. Field emission scanning electron microscopy images indicated that composite membrane prepared by TWC technique had a uniform active layer from the upper end to the bottom of the hollow fiber. And the salt rejection and permeate flux showed almost no difference between different membrane sections. Stability results suggested that good reproducibility could be obtained by TWC technique for the preparation of high‐performance HFC NF membrane. The resultant NF membrane showed a high removal rate of chemical oxygen demand and chroma of landfill leachate which were approximately 100%. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 41187.
Crumb tire rubber and polyethylene mutually stabilized in asphalt by screw extrusion
Authors: Wang Shifeng , Yuan Conghui , Jiaxi Deng 
Published: July 2014

ABSTRACTIn order to put recycled rubber and plastics into practical use for asphalt's modification, the polyethylene (PE)/crumb tire rubber (CTR) blends were blended to prevent them from phase separation in asphalt during hot storage. The effect of screw extrusion on storage stability, morphology, and thermal properties of modified asphalt were investigated. The results showed that the storage stability of PE/CTR modified asphalt was significantly improved after screw extrusion in the presence of a compatibilizer. The extruded PE and CTR were more finely and uniformly dispersed in the asphalt. The rheological properties of modified asphalts were improved at both higher and lower temperature's range. The density discrepancy between asphalt and the extruded PE/CTR particles was neutralized by the combination between PE and CTR. The interactions among PE, CTR and asphalt were improved by the compatibilizer. Both the reduction of density difference and the enhanced interactions are critical to obtain a stable modified asphalt system. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 41189.
Effect of charring agent THEIC on flame retardant properties of polypropylene
Authors: Chen Wenyan , Yuan Shanshan , Sheng Yong , Liu Gousheng 
Published: July 2014

ABSTRACTTris(2‐hydroxyethyl) isocyanurate (THEIC) was used as charring agent and combined with ammonium polyphosphate (APP) to form an intumescent flame retardant (IFR) for polypropylene (PP). The flame retardancy and combustion performance of PP/IFR composite was tested by limiting oxygen index (LOI), UL‐94 vertical burning test and cone calorimeter. The results showed that PP/IFR composite had highest LOI of 34.8 and obtained V‐0 rating when 30 wt % IFR was loaded and mass ratio APP/THEIC was 2 : 1. The peak heat release (PHRR) and total heat release (THR) values of PP composite containing FRs were remarkably reduced compared with that of pure PP. However, water resistant test demonstrated the PP/IFR composite had poor flame retardant durability, both the LOI value and UL‐94 V‐rating decreased when PP/IFR composite was soaked in water at 70°C after 36 h. The degradation process and the char morphology of IFR and PP/IFR composite were investigated by TGA and SEM images. The possible reaction path between APP and THEIC in the swollen process was proposed. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41214.
Inhibition of JNK3 Promotes Apoptosis Induced by BH3 Mimetic S1 in Chemoresistant Human Ovarian Cancer Cells
Authors: Yang Xiaochun , Xiang Xiyan , Xia Meihui , Su Jing , Wu Yao , Shen Luyan , Xu Ye , Sun Liankun 
Published: July 2014

ABSTRACTPrevious studies have suggested that the novel BH3 mimetic S1 could induce apoptosis in diverse tumor cell lines through endoplasmic reticulum (ER) stress or mitochondrial cell death pathways. The activation of c‐Jun N‐terminal kinase (JNK) through inositol requiring enzyme‐1 (IRE1) is closely connected to ER stress‐induced apoptosis. However, the role of JNK is complex, as there are different JNK subtypes and the function of each subtype is still not entirely clear. Here we found that the mRNA expression of JNK3 was continuously high in S1‐treated human ovarian cancer SKOV3/DDP cells using a human unfolded protein response (UPR) pathway PCR array. Pharmacological inhibition of JNK3 increased cell sensitivity to apoptosis induced by S1. Furthermore, inhibition of JNK3 induced accumulation of both acidic compartment and p62, and upregulated ROS production. Our results suggest that JNK3 plays a pro‐survival role during ER stress through preventing the block of autophagic flux and reducing oxidative stress in SKOV3/DDP cells. Inhibition of JNK3 may be a potential method to enhance the killing effect of the Bcl‐2 inhibitor S1. Anat Rec, 298:386–395, 2015. © 2014 Wiley Periodicals, Inc.
Improvement of trospium‐specific absorption models for fasted and fed states in humans
Authors: Cvijić Sandra , Langguth Peter 
Published: July 2014

ABSTRACTThe purpose of this study was to mechanistically interpret the oral absorption pattern of trospium in fasted and fed states by means of gastrointestinal simulation technology. A drug absorption model was built on the basis of experimental data. According to the generated model, low permeability across the intestinal epithelium, delayed gastric emptying time and a prolonged residence time in the small intestine are the key factors governing trospium absorption in the fasted state. Furthermore, in silico modelling provided a plausible explanation of the pronounced reduction in the oral bioavailability of trospium when administered with food. The simulation results support the decreased dissolution in viscous medium, and the reduced drug permeability in the fed state as the predominant mechanisms for the food effect on trospium absorption. Copyright © 2014 John Wiley & Sons, Ltd.
Population pharmacokinetics of the 11β‐hydroxysteroid dehydrogenase type 1 inhibitor ABT‐384 in healthy volunteers following single and multiple dose regimens
Authors: An Guohua , Liu Wei , Katz David A. , Marek Gerard J. , Awni Walid , Dutta Sandeep 
Published: July 2014

ABSTRACTABT‐384 is a potent and selective inhibitor of 11β‐hydroxysteroid dehydrogenase type 1 (HSD‐1). The pharmacokinetics of ABT‐384 was evaluated in healthy volunteers in single‐dose (1, 8, 20, 50, 120 and 240 mg) and multiple‐dose studies (1, 2, 4, 8, 20, 30 and 100 mg once daily). Less than dose‐proportional pharmacokinetics of ABT‐384 was observed when ABT‐384 was administered at single doses lower than 8 mg. This nonlinear phenomenon disappeared after repeated doses. The dose‐normalized plasma concentration–time curves superposed across all dose groups on day 7, but not on day 1. This phenomenon cannot be explained by the half‐life of ABT‐384. Based on available data, the nonlinearity is likely due to binding of ABT‐384 to a high‐affinity‐low‐capacity site, such that this interaction was reflected in ABT‐384 pharmacokinetics. To characterize the pharmacokinetics of ABT‐384, a population pharmacokinetic model for ABT‐384 was constructed. The model provided reasonable fitting for both single‐ and multiple‐dose data. Further investigation is warranted to evaluate the disposition of ABT‐384 at low doses using a larger number of subjects. The constructed model would be useful in predicting ABT‐384 concentrations at different doses and guiding the selection of dosing regimens in further clinical trials. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis of the Human Milk Oligosaccharide Lacto‐N‐Tetraose in Metabolically Engineered, Plasmid‐Free E. coli
Authors: Baumgärtner Florian , Conrad Jürgen , Sprenger Georg A. , Albermann Christoph 
Published: July 2014

AbstractHuman milk oligosaccharides (HMOs) constitute the third most abundant solid component of human milk. HMOs have been demonstrated to show positive effects on the infant’s well‐being. Despite numerous studies, more physiological analyses of single compounds are needed to fully elucidate these effects. Although being one of the most abundant core structures in human milk, the HMO lacto‐N‐tetraose (LNT) is not available at reasonable prices. In this study, we demonstrate the construction of the first E. coli strain capable of producing LNT in vivo. The strain was constructed by chromosomally integrating the genes lgtA and wbgO, encoding β‐1,3‐N‐acetylglucosaminyltransferase and β‐1,3‐galactosyltransferase. In shake‐flask cultivations, the strain yielded a total concentration of 219.1±3.5 mg L−1 LNT (LNT in culture broth and the cell pellet). After recovery of LNT, structural analysis by NMR spectroscopy confirmed the molecule structure.
HAb18G/CD147 is involved in TGF‐β‐induced epithelial‐mesenchymal transition and hepatocellular carcinoma invasion
Authors: Ru Ning‐Yu , Wu Jiao , Chen Zhi‐Nan , Bian Huijie 
Published: July 2014

AbstractEpithelial‐mesenchymal transition (EMT) induced by the transforming growth factor beta (TGF‐β) is involved in hepatocarcinogenesis and hepatocellular carcinoma (HCC) metastasis. HAb18G/CD147, a member of the immunoglobulin family, plays an important role in tumor invasion and metastasis. HAb18G/CD147 promotes EMT of hepatocytes through TGF‐β signaling and is transcriptionally regulated by Slug. We investigated the role of HAb18G/CD147 in TGF‐β‐induced EMT in HCC invasion. Two human HCC cell lines, SMMC‐7721 and HepG2, were used to determine the role of HAb18G/CD147 in EMT. Upregulation of HAb18G/CD147 induced by the high doses of TGF‐β1 in SMMC‐7721 (5 ng/mL) and HepG2 cells (10 ng/mL) (P < 0.05). CD147 upregulation was coupled with upregulation of Snail1 and Slug. CD147 knockout significantly decreased the expression of N‐cadherin and vimentin, and colony formation ability of SMMC‐7721 cells. TGF‐β1 enhanced the migration capacity of SMMC‐7721 cells, which was markedly attenuated by CD147 knockdown. Thus, HAb18G/CD147 is involved in TGF‐β‐induced EMT and HCC invasion.