bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tsunami inundation from heterogeneous earthquake slip distributions: Evaluation of synthetic source models
Authors: Davies Gareth , Horspool Nick , Miller Victoria 
Published: August 2015

AbstractThis study investigates whether eight different synthetic finite fault models (SFFM) can simulate stochastic earthquake‐tsunami with similar statistical properties to “real” earthquake‐tsunami events, where the latter are represented using heterogeneous slip distributions from 66 Finite Fault Inversions (FFI) for oceanic subduction interface earthquakes. A new method is derived to estimate SFFM parameters from FFI, and predictive relations between the earthquake moment magnitude and the SFFM corner wave numbers are developed to support model applications. SFFM with more capacity to spatially localize slip are better able to simulate higher slip regions on the FFI, and this strongly influences their associated tsunami inundation, which is computed in two dimensions over idealized topography. The best performing SFFM generates tsunami inundation which envelopes the FFI inundation in 81% of cases using 10 synthetic events (close to the ideal value of 82%), while the other SFFM show greater tendencies to underestimate inundation. These differences are related to the capacity of each SFFM to produce spatially localized slip distributions. None of the SFFM showed a tendency to overpredict inundation. The results highlight that SFFM cannot be assumed to reliably quantify uncertainties in the tsunami inundation of real earthquakes, and the use of untested SFFM could create nonconservative bias in tsunami hazard assessments. However, the most successful model used here performs quite well, although it may still underestimate inundation more often than an optimal model.
Wind‐wave source functions in opposing seas
Authors: Langodan Sabique , Cavaleri Luigi , Viswanadhapalli Yesubabu , Hoteit Ibrahim 
Published: August 2015

AbstractThe Red Sea is a challenge for wave modeling because of its unique two opposed wave systems, forced by opposite winds and converging at its center. We investigate the different physical aspects of wave evolution and propagation in the convergence zone. The two opposing wave systems have similar amplitude and frequency, each driven by the action of its own wind. Wave patterns at the center of the Red Sea, as derived from extensive tests and intercomparison between model and measured data, suggest that the currently available wave model source functions may not properly represent the evolution of the local fields that appear to be characterized by a less effective wind input and an enhanced white‐capping. We propose and test a possible simple solution to improve the wave‐model simulation under opposing winds and waves condition.
Thermal stability of ice on Ceres with rough topography
Authors: Hayne P. O. , Aharonson O. 
Published: August 2015

AbstractThe dwarf planet Ceres may have an ice‐rich crust, and subsurface ice exposed by impacts or endogenic activity would be subject to sublimation. We model surface and subsurface temperatures on Ceres to assess lifetimes of water ice and other volatiles. Topographic shadowing allows a small but nonnegligible fraction (∼0.4%) of Ceres' surface to be perennially below the ∼110 K criterion for 1 Gyr of stability. These areas are found above 60° latitude. Other molecules (CH3OH, NH3, SO2, and CO2) may be cold trapped in smaller abundances. A model for the transport, gravitational escape, and photoionization of H2O molecules suggests net accumulation in the cold traps. Buried ice is stable within a meter for > 1 Gyr at latitudes higher than ∼50°. An illuminated polar cap of water ice would be stable within a few degrees of the poles only if it maintained a high albedo (>0.5) at present obliquity. If the obliquity exceeded 5° in the geologically recent past, then a putative polar cap would have been erased. At latitudes 0°–30°, ice is stable under solar illumination only briefly (∼10–100 years), unless it has high albedo and thermal inertia, in which case lifetimes of > 104 years are possible. Finally, a small hemispheric asymmetry exists due to the timing of Ceres' perihelion passage, which would lead to a detectable enhancement of ice in the northern hemisphere if the orbital elements vary slowly relative to the ice accumulation rate. Our model results are potentially testable during the Dawn science mission.
Poleward migration of eddy‐driven jets
Authors: Chemke R. , Kaspi Y. 
Published: August 2015

AbstractPoleward migration of eddy‐driven jets is found to occur in the extratropics when the subtropical and eddy‐driven jets are clearly separated, as achieved by simulations at high‐rotation rates. The poleward migration of these eddy‐driven baroclinic jets over time is consistent with variation of eddy momentum flux convergence and baroclinicity across the width of the jet. We demonstrate this using a high‐resolution idealized GCM where we systematically examine the eddy‐driven jets over a wide range of rotation rates (up to 16 times the rotation rate of Earth). At the flanks of the jets, the poleward migration is caused by a poleward bias in baroclinicity across the width of the jet, estimated through measures such as Eady growth rate and supercriticality. The poleward biased baroclinicity is due to the meridional variation of the Coriolis parameter, which causes a poleward bias of the eddy momentum flux convergence. At the core of the jets, the poleward biased eddy momentum flux convergence relative to the mean jet deflects over time the baroclinicity and the jets poleward. As the rotation rate is increased, and more (narrower) jets emerge the migration rate becomes smaller due to less eddy momentum flux convergence over the narrower baroclinic zones. We find a linear relation between the migration rate of the jets and the net eddy momentum flux convergence across the jets. This poleward migration might be related to the slow poleward propagation of temporal anomalies of zonal winds observed in the upper troposphere.
The tectonic evolution of a critical segment of the Dinarides‐Alps connection: Kinematic and geochronological inferences from the Medvednica Mountains, NE Croatia
Authors: van Gelder I. E. , Matenco L. , Willingshofer E. , Tomljenović B. , Andriessen P. A. M. , Ducea M. N. , Beniest A. , Gruić A. 
Published: August 2015

AbstractThe transition zone between the Alps and Dinarides is a key area to investigate kinematic interactions of neighboring orogens with different subduction polarities. A study combining field kinematic and sedimentary data, microstructural observations, thermochronological data (Rb‐Sr and fission track), and regional structures in the area of Medvednica Mountains has revealed a complex polyphase tectonic evolution. We document two novel stages of extensional exhumation. The first stage of extension took place along a Late Cretaceous detachment following the late Early Cretaceous nappe stacking, burial, and greenschist facies metamorphism. Two other shortening events that occurred during the latest Cretaceous‐Oligocene were followed by a second event of extensional exhumation, characterized by asymmetric top‐NE extension during the Miocene. Top‐NW thrusting took place subsequently during the Pliocene inversion of the Pannonian Basin. The Cretaceous nappe burial, Late Cretaceous extension, and the Oligocene(‐Earliest Miocene) contraction are events driven by the Alps evolution. In contrast, the latest Cretaceous‐Eocene deformation reflects phases of Dinaridic contraction. Furthermore, the Miocene extension and subsequent inversion display kinematics similar with observations elsewhere in the Dinarides and Eastern Alps. All these processes demonstrate that the Medvednica Mountains were affected by Alpine phases of deformations to a much higher degree than previously thought. Similarly with what has been observed in other areas of contractional polarity changes, such as the Mediterranean, Black Sea, or New Guinea systems, the respective tectonic events are triggered by rheological weak zones which are critical for localizing the deformation created by both orogens.
Technical note: An in vitro study of dental microwear formation using the BITE Master II chewing machine
Authors: Hua Li‐Cheng , Brandt Elizabeth T. , Meullenet Jean‐Francois , Zhou Zhong‐Rong , Ungar Peter S. 
Published: August 2015

ABSTRACTDental microwear has been used for decades to reconstruct the diets of fossil hominins and bioarchaeological populations. The basic theory has been that hard‐brittle foods (e.g., nuts, bone) require crushing and leave pits as they are pressed between opposing cheek‐tooth surfaces, whereas soft‐tough foods (e.g., grass blades, meat) require shearing and leave scratches as they are dragged along opposing surfaces that slide past one another. However, recent studies have called into question the efficacy of microwear as an indicator of diet. One issue has been the limited number of in vitro studies providing empirical evidence for associations between microwear pattern and chewing behavior. We here describe a new study using a chewing simulator, the BITE Master II, to examine the effects of angle of approach between opposing teeth and food consistency on microwear surface texture. Results indicate that opposing teeth that approach one another: 1) perpendicular to the occlusal plane (crushing) result in pits; 2) parallel to the occlusal plane (shearing) result in striations in the direction of movement; and 3) oblique to the occlusal plane (45°) result in both striations and pits. Results further suggest that different food types and abrasive loads affect the propensity to accumulate microwear features independent of feature shapes. Am J Phys Anthropol 158:769–775, 2015. © 2015 Wiley Periodicals, Inc.
Enantioselective Palladium‐Catalyzed CH Functionalization of Indoles Using an Axially Chiral 2,2′‐Bipyridine Ligand
Authors: Gao Xiang , Wu Bo , Huang Wen‐Xue , Chen Mu‐Wang , Zhou Yong‐Gui 
Published: August 2015

AbstractA palladium‐catalyzed enantioselective CH functionalization of indoles was achieved with an axially chiral 2,2′‐bipyridine ligand, thus providing the desired indol‐3‐acetate derivatives with up to 98 % ee. Moreover, the reaction protocol was also effective for asymmetric OH insertion reaction of phenols using α‐aryl‐α‐diazoacetates. This represents the first successful application of bipyridine ligands with axial chirality in palladium‐catalyzed carbene migratory insertion reactions.
A Supramolecular Antibiotic Switch for Antibacterial Regulation
Authors: Bai Haotian , Yuan Huanxiang , Nie Chenyao , Wang Bing , Lv Fengting , Liu Libing , Wang Shu 
Published: August 2015

AbstractA supramolecular antibiotic switch is described that can reversibly “turn‐on” and “turn‐off” its antibacterial activity on demand, providing a proof‐of‐concept for a way to regulate antibacterial activity of biotics. The switch relies on supramolecular assembly and disassembly of cationic poly(phenylene vinylene) derivative (PPV) with cucurbit[7]uril (CB[7]) to regulate their different interactions with bacteria. This simple but efficient strategy does not require any chemical modification on the active sites of the antibacterial agent, and could also regulate the antibacterial activity of classical antibiotics or photosensitizers in photodynamic therapy. This supramolecular antibiotic switch may be a successful strategy to fight bacterial infections and decrease the emergence of bacterial resistance to antibiotics from a long‐term point of view.
Kompensation von Pulsimperfektionen in der Festkörper‐NMR‐ Spektroskopie: ein Schlüssel zu verbesserter Reproduzierbarkeit und Effizienz
Authors: Wittmann Johannes J. , Takeda Kazuyuki , Meier Beat H. , Ernst Matthias 
Published: August 2015

AbstractDas Potential und die Vielseitigkeit der NMR‐Spektroskopie beruhen auf der Möglichkeit, NMR‐Wechselwirkungen gezielt mittels Radiofrequenzpulssequenzen zu beeinflussen. Allerdings unterscheiden sich die Radiofrequenzfelder (RF), die auf die Spins wirken, von denen, die der Experimentator am Spektrometer programmiert. So genannte Pulstransienten, d. h. Abweichungen des RF‐Feldes in Amplitude und Phase von den erwarteten Werten, können einen erheblichen Einfluss auf die Effizienz von Pulssequenzen haben und daher zu unterschiedlichen Ergebnissen führen. Wir zeigen, dass transientenkompensierte Pulse sowohl die Effizienz als auch die Reproduzierbarkeit von NMR‐Experimenten deutlich erhöhen können. Die Implementierung basiert auf den Charakteristiken des Schwingkreises und nicht auf einer experimentellen Optimierung des NMR‐Signals. Wir zeigen, wie die Pulssequenz für die Verwendung transientenkompensierter Pulse verändert werden muss. Die Effizienz und die Reproduzierbarkeit der transientenkompensierten Sequenz sind gegenüber der ursprünglichen POST‐C7‐Sequenz deutlich verbessert.
B(C6F5)3‐katalysierter Diwasserstofftransfer von einem ungesättigten Kohlenwasserstoff auf einen anderen
Authors: Chatterjee Indranil , Qu Zheng‐Wang , Grimme Stefan , Oestreich Martin 
Published: August 2015

AbstractEs wird über eine übergangsmetallfreie Transferhydrierung von 1,1‐disubstituierten Alkenen berichtet, in der ein Cyclohexa‐1,4‐dien die formale Diwasserstoffquelle darstellt. Der Prozess beginnt mit einer B(C6F5)3‐vermittelten Hydridabstraktion vom Diwasserstoffsurrogat unter Bildung eines Brønsted‐sauren Wheland‐Komplexes sowie [HB(C6F5)3]−. Eine Abfolge aus Protonen‐ und Hydridübertragungen auf das Alkensubstrat liefert dann das Alkan. Obwohl mehrere Carbeniumionzwischenstufen beteiligt sind, werden konkurrierende Reaktionswege, beispielsweise Diwasserstofffreisetzung und kationische Dimerisierungen von Reaktanten, weitgehend unterdrückt. Dies wird durch den Einsatz von Cyclohexa‐1,4‐dienen mit Methylgruppen an den C1‐ und C5‐Positionen sowie am C3‐Kohlenstoffatom, an dem die Hydridabstraktion stattfindet, ermöglicht. Die Konzentration an Alken ist eine weitere entscheidende Einflussgröße. Die unterschiedlichen Reaktionspfade wurden berechnet, woraus sich ein mechanistisches Bild ergibt, das mit den experimentellen Beobachtungen vollständig in Einklang ist.
Cyclic [2]Catenane Dimers, Trimers, and Tetramers
Authors: Wu Yi‐Wei , Tung Shun‐Te , Lai Chien‐Chen , Liu Yi‐Hung , Peng Shie‐Ming , Chiu Sheng‐Hsien 
Published: August 2015

AbstractDimeric, trimeric, and tetrameric cyclic [2]catenanes have been prepared directly through one‐pot sodium‐ion‐templated dynamic imine formation from a diamine and a tetraaldehyde. NaBH4 mediated reduction of the labile imino bonds of these cyclic [2]catenane oligomers, followed by methylation of the resulting secondary amino groups enabled the isolation and characterization of oligomeric cyclic [2]catenanes as stable, covalently linked compounds.
Ribosome Subunit Stapling for Orthogonal Translation in E. coli
Authors: Fried Stephen D. , Schmied Wolfgang H. , Uttamapinant Chayasith , Chin Jason W. 
Published: August 2015

AbstractThe creation of orthogonal large and small ribosomal subunits, which interact with each other but not with endogenous ribosomal subunits, would extend our capacity to create new functions in the ribosome by making the large subunit evolvable. To this end, we rationally designed a ribosomal RNA that covalently links the ribosome subunits via an RNA staple. The stapled ribosome is directed to an orthogonal mRNA, allowing the introduction of mutations into the large subunit that reduce orthogonal translation, but have minimal effects on cell growth. Our approach provides a promising route towards orthogonal subunit association, which may enable the evolution of key functional centers in the large subunit, including the peptidyl‐transferase center, for unnatural polymer synthesis in cells.
Large Magnetization and Frustration Switching of Magnetoresistance in the Double‐Perovskite Ferrimagnet Mn2FeReO6
Authors: Arévalo‐López Angel M. , McNally Graham M. , Attfield J. Paul 
Published: August 2015

AbstractFerrimagnetic A2BB′O6 double perovskites, such as Sr2FeMoO6, are important spin‐polarized conductors. Introducing transition metals at the A‐sites offers new possibilities to increase magnetization and tune magnetoresistance. Herein we report a ferrimagnetic double perovskite, Mn2FeReO6, synthesized at high pressure which has a high Curie temperature of 520 K and magnetizations of up to 5.0 μB which greatly exceed those for other double perovskite ferrimagnets. A novel switching transition is discovered at 75 K where magnetoresistance changes from conventional negative tunneling behavior to large positive values, up to 265 % at 7 T and 20 K. Neutron diffraction shows that the switch is driven by magnetic frustration from antiferromagnetic Mn2+ spin ordering which cants Fe3+ and Re5+ spins and reduces spin‐polarization. Ferrimagnetic double perovskites based on A‐site Mn2+ thus offer new opportunities to enhance magnetization and control magnetoresistance in spintronic materials.
Compensating Pulse Imperfections in Solid‐State NMR Spectroscopy: A Key to Better Reproducibility and Performance
Authors: Wittmann Johannes J. , Takeda Kazuyuki , Meier Beat H. , Ernst Matthias 
Published: August 2015

AbstractThe power and versatility of NMR spectroscopy is strongly related to the ability to manipulate NMR interactions by the application of radio‐frequency (rf) pulse sequences. Unfortunately, the rf fields seen by the spins differ from the ones programmed by the experimentalist. Pulse transients, i.e., deviations of the amplitude and phase of the rf fields from the desired values, can have a severe impact on the performance of pulse sequences and can lead to inconsistent results. Here, we demonstrate how transient‐compensated pulses can greatly improve the efficiency and reproducibility of NMR experiments. The implementation is based on a measurement of the characteristics of the resonance circuit and does not rely on an experimental optimization of the NMR signal. We show how the pulse sequence has to be modified to use it with transient‐compensated pulses. The efficiency and reproducibility of the transient‐compensated sequence is greatly superior to the original POST‐C7 sequence.
Near‐Infrared‐Activated Nanocalorifiers in Microcapsules: Vapor Bubble Generation for In Vivo Enhanced Cancer Therapy
Authors: Shao Jingxin , Xuan Mingjun , Dai Luru , Si Tieyan , Li Junbai , He Qiang 
Published: August 2015

AbstractPhotothermal therapy based on gold nanostructures has been widely investigated as a state‐of‐the‐art noninvasive therapy approach. Because single nanoparticles cannot harvest sufficient energy, self‐assemblies of small plasmonic particles into large aggregates are required for enhanced photothermal performance. Self‐assembled gold nanorods in lipid bilayer‐modified microcapsules are shown to localize at tumor sites, generate vapor bubbles under near‐infrared light exposure, and subsequently damage tumor tissues. The polyelectrolyte multilayer enables dense packing of gold nanorods during the assembly process, which leads to the formation of vapor bubbles around the excited capsules. The resulting vapor bubbles achieve a high efficiency of suppressing tumor growth compared to single gold nanorods. In vivo experiments demonstrated the ability of soft‐polymer multilayer microcapsules to cross the biological barriers of the body and localize at target tissues.
pH‐sensitive hydroxyethyl starch–doxorubicin conjugates as antitumor prodrugs with enhanced anticancer efficacy
Authors: Zhu Yu , Yao Xuemei , Chen Xiaofei , Chen Li 
Published: August 2015

ABSTRACTDoxorubicin (DOX) is a widely used chemotherapeutic drug for the treatment of several types of cancers, which has limitation in clinical applications because of severe heart toxicity. Herein, to reduce the fast clearance from the blood system and the severe systemic toxicity caused by the nonspecific protein adsorption, a pH‐sensitive drug delivery system with higher drug conjugated content was prepared by conjugating DOX onto hydroxyethyl starch (HES) with a pH‐sensitive hydrazone bond. In normal physiological environment, the release of DOX conjugated onto HES was slight which could be neglected without any side effect. However, in an acidic environment mimicking the tumor microenvironment, this pH‐sensitive hydrazone linkage provided a controlled and sustained release of DOX over a period of more than 3 days. The conjugates had good biocompatibility, long circulation, and lower cytotoxicity, which could efficiently be transferred into HeLa and HepG2 cells and release the conjugated drug. Based on these promising properties, these HES–DOX conjugates outline the significant potential for future biomedical application in the controlled release of antitumor drugs. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42778.
Optimal model‐based design of the twin‐column CaptureSMB process improves capacity utilization and productivity in protein A affinity capture
Authors: Baur Daniel , Angarita Monica , Müller‐Späth Thomas , Morbidelli Massimo 
Published: August 2015

AbstractMulti‐column chromatographic processes have recently been developed for protein A affinity chromatography to efficiently capture monoclonal antibodies from cell culture supernatant. In this work, the novel twin‐column CaptureSMB process was compared to a batch capture process with dual loading flow rate to identify performance gains. As a case study, the isolation of a monoclonal antibody with the Amsphere JWT‐203 protein A resin was investigated. Using model based optimization, both processes were optimized and compared over a wide range of operating conditions. A trade‐off between productivity and capacity utilization was found, and the resulting pareto‐curves showed that CaptureSMB dominates batch, except at very low productivity values. With a feed titer of 1.2 mg mL−1, CaptureSMB could reach a productivity of up to 19.5 mg mL−1 h−1 experimentally, while maintaining relatively high capacity utilization of 63.8%. On the other hand, at maximum capacity utilization of 95.5%, a productivity of 10.2 mg mL−1 h−1 could be reached. This corresponds to a performance improvement with respect batch operation of about 25% in capacity utilization and 40% in productivity, for given yield and purity. CaptureSMB therefore offers a greatly increased performance over batch capture.
Synthesis, Characterization, and DFT Studies of Four Dinuclear Copper(II) Complexes with Aromatic Carboxylate Ligands: Cu2(L)4·(CH3OH)2
Authors: Zhang Qi , Yu Liang Min , Ni Chun Hua , Li Xin , Li Xia 
Published: August 2015

Four dinuclear copper(II) complexes, Cu2(L1

–4)4·(CH3OH)2(1–4) (HL1
= m‐anisic acid, HL2
= p‐anisic acid, HL3
= m‐toluic acid, HL4
= p‐toluic acid) were synthesized and characterized by IR spectroscopy, elemental analysis, and X‐ray powder and single crystal diffraction. All of the complexes are consisting of two Cu(II) cations, four L ligands and two methanol molecules, in which the L ligands are coordinated with copper cations by bidentate bridging coordination mode. There exists hydrogen bond interaction or CH…π interaction in the complexes, forming three‐dimensional network structures. Theoretical study of the complexes was carried out by density functional theory B3LYP method.