bluuebunny/crossref_metadata_2025_split huggingface dataset:
How much groundwater did California's Central Valley lose during the 2012–2016 drought?
Authors: Xiao Mu , Koppa Akash , Mekonnen Zelalem , Pagán Brianna R. , Zhan Shengan , Cao Qian , Aierken Abureli , Lee Hyongki , Lettenmaier Dennis P. 
Published: April 2017

AbstractWe estimate net groundwater storage change in the Central Valley from April 2002 to September 2016 as the difference between inflows and outflows, precipitation, evapotranspiration, and changes in soil moisture and surface water storage. We also estimate total water storage change attributable to groundwater change using Gravity Recovery and Climate Experiment (GRACE) satellite data, which should be equivalent to our water balance estimates. Over two drought periods within our 14‐1/2 years study period (January 2007 to December 2009 and October 2012 to September 2016), we estimate from our water balance that a total of 16.5 km3 and 40.0 km3 of groundwater was lost, respectively. Our water balance‐based estimate of the overall groundwater loss over the 14‐1/2 years is −20.7 km3, which includes substantial recovery during nondrought periods The estimated rate of groundwater loss is greater during the recent drought (10.0 ± 0.2 versus 5.5 ± 0.3 km3/yr) than in the 2007–2009 drought, due to lower net inflows, a transition from row crops to trees, and higher crop water use, notwithstanding a reduction in irrigated area. The GRACE estimates of groundwater loss (−5.0 km3/yr for both water balance and GRACE during 2007–2009, and −11.2 km3/yr for GRACE versus −10 km3/yr for water balance during 2012–2016) are quite consistent for the two methods. However, over the entire study period, the GRACE‐based groundwater loss estimate is almost triple that from the water balance, mostly because GRACE does not indicate the between‐drought groundwater recovery that is inferred from our water balance.
Improving the modeling of geomagnetically induced currents in Spain
Authors: Torta J. M. , Marcuello A. , Campanyà J. , Marsal S. , Queralt P. , Ledo J. 
Published: April 2017

AbstractVulnerability assessments of the risk posed by geomagnetically induced currents (GICs) to power transmission grids benefit from accurate knowledge of the geomagnetic field variations at each node of the grid, the Earth's geoelectrical structures beneath them, and the topology and relative resistances of the grid elements in the precise instant of a storm. The results of previous analyses on the threat posed by GICs to the Spanish 400 kV grid are improved in this study by resorting to different strategies to progress in the three aspects identified above. First, although at midlatitude regions the source fields are rather uniform, we have investigated the effect of their spatial changes by interpolating the field from the records of several close observatories with different techniques. Second, we have performed a magnetotelluric (MT) sounding in the vicinity of one of the transformers where GICs are measured to determine the geoelectrical structure of the Earth, and we have identified the importance of estimating the MT impedance tensor when predicting GIC, especially where the effect of lateral heterogeneities is important. Finally, a sensitivity analysis to network changes has allowed us to assess the reliability of both the information about the network topology and resistances, and the assumptions made when all the details or the network status are not available. In our case, the most essential issue to improve the coincidence between model predictions and actual observations came from the use of realistic geoelectric information involving local MT measurements.
MLC‐based penumbra softener of EDW borders to reduce junction inhomogeneities
Authors: Szpala Stanislaw , Kohli Kirpal 
Published: April 2017

AbstractJunctions of fields are known to be susceptible to developing cold or hot spots in the presence of even small geometrical misalignments. Reduction of these dose inhomogeneities can be accomplished through decreasing the dose gradients in the penumbra, but currently it cannot be done for enhanced dynamic wedges (EDW). An MLC‐based penumbra softener was developed in the developer mode of TrueBeam linacs to reduce dose gradients across the side border of EDWs. The movement of each leaf was individually synchronized with the movement of the dynamic Y jaw to soften the penumbra in the same manner along the entire field border, in spite of the presence of the dose gradient of the EDW. Junction homogeneity upon field misalignment for side‐matched EDWs was examined with the MV imager. The fluence inhomogeneities were reduced from about 30% per mm of shift of the field borders for the conventional EDW to about 2% per mm for the softened‐penumbra plan. The junction in a four‐field monoisocentric breast plan delivered to the Rando phantom was assessed with film. The dose inhomogeneities across the junction in the superior‐inferior direction were reduced from about 20% to 25% per mm for the conventional fields to about 5% per mm. The dose near the softened junction of the breast plan with no shifts did not deviate from the conventional plan by more than about 4%. The newly‐developed softened‐penumbra junction of EDW (and/or open) fields was shown to reduce sensitivity to misalignments without increasing complexity of the planning or delivery. This methodology needs to be adopted by the manufacturers for clinical use.
Palladium‐Catalyzed Direct β‐C−H Arylation of Ketones with Arylboronic Acids in Water
Authors: Hu Xiaoyun , Yang Xiaobo , Dai Xi‐Jie , Li Chao‐Jun 
Published: April 2017

AbstractA palladium‐catalyzed direct β‐C−H arylation of ketones was developed under mild conditions in water, featuring commercially available arylboronic acids as nucleophilic aryl sources and o‐iodoxybenzoic acid as the oxidant. The method provides a concise route to access β‐arylated ketones. Preliminary studies indicated that direct asymmetric β‐C−H arylation of ketones could be achieved by this strategy.magnified image
Amphiphilic ABA‐type triblock copolymers for the development of high‐performance poly(vinylidene fluoride)/poly(vinyl pyrrolidone) blend ultrafiltration membranes for oil separation
Authors: Rajasekhar Tota , Babu Polisetti Veera , Gopinath Jonnalagadda , Sainath Annadanam V. Sesha , Reddy A. V. R. 
Published: April 2017

ABSTRACTABA‐type amphiphilic triblock copolymers (TBCs) were synthesized by a reversible addition fragmentation chain transfer (RAFT) process with a telechelic polystyrene macro‐RAFT agent and 4‐[n‐(acryloyloxy)alkyloxy]benzoic acid monomers. Ultrafiltration (UF) membranes were fabricated by a phase‐inversion process with blends of the TBC, poly(vinylidene fluoride) (PVDF), and poly(vinyl pyrrolidone) (PVP) in dimethylformamide. The UF‐fabricated membranes were characterized by scanning electron microscopy, atomic force microscopy, water contact angle measurement, thermogravimetric analysis, and differential scanning calorimetry. Pure water permeation, molecular weight cutoff values obtained by the permeation of different molecular weight polymers as probe solutes, bovine serum albumin (BSA) solution permeate flux, and oil–water emulsion filtration tests were used to evaluate the separation characteristics of the fabricated membranes. The tripolymer blend membranes exhibited a higher flux recovery ratio (FRR) after the membrane was washed with sodium lauryl sulfate (0.05 wt %) solution for a BSA solution (FRR = 88%) and oil–water emulsion (FRR = 95%) feeds when than the PVDF–PVP blend membrane (57 and 80% FRR values for the BSA solution and oil–water emulsion, respectively). The pendant carboxylic acid functional moieties in this ABA‐type TBC have potential advantages in the fabrication of high‐performance membranes. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45132.
Formulation of silver chloride/poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate) (AgCl/PHBV) films for potential use in bone tissue engineering
Authors: Bakare Rotimi , Wells Lauren , McLennon Negene , Singh Manisha , Gugssa Ayele , Stubbs John , Zewde Berhanu , Raghavan Dharmaraj 
Published: April 2017

ABSTRACTOrthopedic implant failure due to bacterial infection has been a concern in bone tissue engineering. Here, we have formulated a composite made of biodegradable polymer, i.e., poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate) (PHBV), and silver chloride. Ag+ ions released from the AgCl/PHBV film can promote an aseptic environment by promoting inhibition of bacterial growth while maintaining bone cell growth, depending on AgCl loading. The objective of this study is to formulate AgCl/PHBV film(s) of varying composition so as to evaluate the dependence of AgCl loading in the film on antimicrobial activity and cytotoxicity. The release kinetics of silver ions from AgCl/PHBV film in aqueous and Dulbecco's Modified Eagle Medium showed similarity in the initial burst of ions during the first day of desorption followed by a gradual release of ions over extended time period. The antibacterial efficacy of AgCl/PHBV film against Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa was evaluated by microbiological assay, while cytotoxicity of the film toward MC3T3‐E1 cells was determined by MTT assay. For all compositions studied, a clear zone of inhibition around AgCl/PHBV film was noticed on a modified Kirby‐Bauer disk diffusion assay. We established that MC3T3‐E1 cell attachment on AgCl/PHBV film is strongly related to loading of AgCl in the film. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45162.
Die Kunst der Sichtbetontechnik
Authors: Lohaus Ludger , Schack Tobias , Cotardo Dario 
Published: April 2017

AbstractEtwa seit Anfang des neuen Jahrtausends erlebt die Sichtbetonbauweise eine bis heute anhaltende Renaissance. Trotz der kontinuierlichen Weiterentwicklung der Sichtbetontechnik treten in der Baupraxis immer wieder unerwünschte Effekte im Erscheinungsbild des Sichtbetons auf. Das „System Sichtbeton” mit seinen vielfältigen Einflüssen aus Schalung, Beton, Betonverarbeitung und Nachbehandlung einschließlich der dabei vorherrschenden Witterungsbedingungen ist dabei so anspruchsvoll und komplex, dass seine Beherrschung eine besondere Kunst darstellt. Der Beitrag zeigt Möglichkeiten der Betontechnik und notwendige Maßnahmen bei der Verarbeitung auf, die der Vermeidung unerwünschter Effekte dienen und zu einem gefälligen, individuellen und planbaren Erscheinungsbild der Betonoberfläche beitragen.
Photokatalytisch aktiver Beton: Wie innovative Baustoffe einen Beitrag zum Abbau gefährlicher Luftschadstoffe leisten können
Authors: Fleisch Manuel , Bahnemann Detlef 
Published: April 2017

AbstractVor allem in urbanen Regionen ist die Belastung mit Luftschadstoffen wie NOX, SO3 und flüchtigen organischen Verbindungen (VOCs) nach wie vor problematisch. Eine Möglichkeit, diese Stoffe abzubauen, ist ihre Oxidation an der Oberfläche eines beleuchteten Photokatalysators wie Titandioxid (TiO2). Dieses vor allem als Weißpigment bekannte Material hat die Eigenschaft, unter Bestrahlung mit Sonnenlicht oxidative Spezies an der Oberfläche auszubilden, die organische und anorganische Verbindungen zerstören können. Durch direkte Beimischung oder nachträgliche Beschichtung lassen sich innovative Baustoffe wie Betone, Putze, Pflastersteine und Dachziegel herstellen, die nicht nur ihre jeweiligen Primäraufgaben erfüllen, sondern zusätzlich dazu beitragen können, die Luftqualität der Umgebung zu verbessern.
Blue organic light‐emitting diodes based on fluorene‐bridged quinazoline and quinoxaline derivatives
Authors: Kim Dong Young , Kang Jisu , Lee Song Eun , Kim Young Kwan , Yoon Seung Soo 
Published: April 2017

AbstractTwo blue emitters based on fluorene‐bridged quinazoline and quinoxaline derivatives were prepared via the Suzuki reaction. Their photoluminescent properties were investigated. Furthermore, theoretical studies on these materials using the density functional theory calculation were conducted. To explore their electroluminescent properties, multilayered organic light‐emitting diodes were fabricated with the following device structure: indium–tin–oxide (180 nm)/4,4′‐bis(N‐(1‐naphthyl)‐N‐phenylamino)biphenyl (50 nm)/blue emitting materials (1 and 2) (30 nm)/bathophenanthroline (35 nm)/8‐hydroxy‐quinolinato lithium (2 nm)/Al (100 nm). Two devices showed efficient blue emission with the external quantum efficiencies of 1.58% and 1.30%, respectively, at 20 mA/cm2, and Commission Internationale dÉclairage coordinates of (0.18, 0.24) and (0.19, 0.27) at 6.0 V. These results suggest that the self‐aggregation properties of emitters would have considerable effects on their photoluminescent and electroluminescent properties.
Mindfulness and its efficacy for psychological and biological responses in women with breast cancer
Authors: Kenne Sarenmalm Elisabeth , Mårtensson Lena B , Andersson Bengt A , Karlsson Per , Bergh Ingrid 
Published: April 2017

AbstractMany breast cancer survivors have to deal with a variety of psychological and physiological sequelae including impaired immune responses. The primary purpose of this randomized controlled trial was to determine the efficacy of a mindfulness‐based stress reduction (MBSR) intervention for mood disorders in women with breast cancer. Secondary outcomes were symptom experience, health status, coping capacity, mindfulness, posttraumatic growth, and immune status. This RTC assigned 166 women with breast cancer to one of three groups: MBSR (8 weekly group sessions of MBSR), active controls (self‐instructing MBSR) and non‐MBSR. The primary outcome measure was the Hospital Anxiety and Depression Scale. Secondary outcome measures were: Memorial Symptom Assessment Scale, SF‐36, Sense of Coherence, Five Facets of Mindfulness Questionnaire, and Posttraumatic Growth Index. Blood samples were analyzed using flow cytometry for NK‐cell activity (FANKIA) and lymphocyte phenotyping; concentrations of cytokines were determined in sera using commercial high sensitivity IL‐6 and IL‐8 ELISA (enzyme‐linked immunosorbent assay) kits. Results provide evidence for beneficial effects of MBSR on psychological and biological responses. Women in the MBSR group experienced significant improvements in depression scores, with a mean pre‐MBSR HAD‐score of 4.3 and post‐MBSR score of 3.3 (P = 0.001), and compared to non‐MBSR (P = 0.015). Significant improvements on scores for distress, symptom burden, and mental health were also observed. Furthermore, MBSR facilitated coping capacity as well as mindfulness and posttraumatic growth. Significant benefits in immune response within the MBSR group and between groups were observed. MBSR have potential for alleviating depression, symptom experience, and for enhancing coping capacity, mindfulness and posttraumatic growth, which may improve breast cancer survivorship. MBSR also led to beneficial effect on immune function; the clinical implications of this finding merit further research.
Brush2Model: Convolution surface‐based brushes for 3D modelling in head‐mounted display‐based virtual environments
Authors: Zhu Xiaoqiang , Song Lei , You Lihua , Zhu Mengyao , Wang Xiangyang , Jin Xiaogang 
Published: April 2017

AbstractEasy and efficient 3D modelling in virtual environments is an important and unsolved topic. This paper proposes a new modelling approach to tackle this issue. It invents convolution surface‐based brushes to directly draw 3D models in head‐mounted display‐based virtual environments. In order to maximize the efficiency, flexibility, and capacity of our proposed modelling approach, we propose three different skeleton‐based convolution surfaces to tackle different modelling tasks: point skeleton‐based convolution surfaces for metaball shapes, line skeleton‐based convolution surfaces for cylindrical shapes, and polygon skeleton‐based convolution surfaces for planar surfaces. Their combination makes 3D modelling more flexible and powerful. The high efficiency is further raised by our developed closed‐form solutions for point skeletons, ends of line skeletons, and edges of polygonal skeletons. Different user‐friendly sweeping schemes are provided to facilitate intuitive inputs for various complex shape generation. Unlike Google's Tilt Brush, which is used to create disconnected sheet‐like surfaces only, our proposed convolution surface‐based brushes can produce smoothly blended manifold surfaces, and novice users can easily learn and use them to create various interesting 3D models efficiently.
Biochemical, Cellular, Physiological, and Pathological Consequences of Human Loss of N‐Glycolylneuraminic Acid
Authors: Okerblom Jonathan , Varki Ajit 
Published: April 2017

AbstractAbout 2–3 million years ago, Alu‐mediated deletion of a critical exon in the CMAH gene became fixed in the hominin lineage ancestral to humans, possibly through a stepwise process of selection by pathogen targeting of the CMAH product (the sialic acid Neu5Gc), followed by reproductive isolation through female anti‐Neu5Gc antibodies. Loss of CMAH has occurred independently in some other lineages, but is functionally intact in Old World primates, including our closest relatives, the chimpanzee. Although the biophysical and biochemical ramifications of losing tens of millions of Neu5Gc hydroxy groups at most cell surfaces remains poorly understood, we do know that there are multiscale effects functionally relevant to both sides of the host–pathogen interface. Hominin CMAH loss might also contribute to understanding human evolution, at the time when our ancestors were starting to use stone tools, increasing their consumption of meat, and possibly hunting. Comparisons with chimpanzees within ethical and practical limitations have revealed some consequences of human CMAH loss, but more has been learned by using a mouse model with a human‐like Cmah inactivation. For example, such mice can develop antibodies against Neu5Gc that could affect inflammatory processes like cancer progression in the face of Neu5Gc metabolic incorporation from red meats, display a hyper‐reactive immune system, a human‐like tendency for delayed wound healing, late‐onset hearing loss, insulin resistance, susceptibility to muscular dystrophy pathologies, and increased sensitivity to multiple human‐adapted pathogens involving sialic acids. Further studies in such mice could provide a model for other human‐specific processes and pathologies involving sialic acid biology that have yet to be explored.
Metal Complexes of a Redox‐Active [1]Phosphaferrocenophane: Structures, Electrochemistry and Redox‐Induced Catalysis
Authors: Feyrer Alexander , Armbruster Markus K. , Fink Karin , Breher Frank 
Published: April 2017

AbstractThe synthesis and characterisation of several metal complexes of a redox‐active, mesityl(Mes)‐substituted [1]phosphaferrocenophane, FcPMes (1), are reported. Cyclic voltammetry studies on the bimetallic complexes [M(κ1P‐1)(cod)Cl] (M=Rh: 2; M=Ir: 4), [Rh(κ1P‐1)2(CO)Cl] (3) and [AuCl(κ1P‐1)] (5), in conjunction with DFT calculations, provided indications for a good electronic communication between the metal atoms. To confirm that the ferrocenophane unit might be able to electrochemically influence the reactivity of the coordinated transition metal, the rhodium complex 2 was employed as stimuli‐responsive catalyst in the hydrosilylation of terminal alkynes. All reactions were greatly accelerated with in situ generated 2+ as a catalyst as compared to 2. Even more importantly, a markedly different selectivity was observed. Both factors were attributed to different mechanisms operating for 2 and 2+ (alternative Chalk–Harrod and Chalk–Harrod mechanism, respectively). DFT calculations revealed relatively large differences for the activation barriers for 2 and 2+ in the reductive elimination step of the classical Chalk–Harrod mechanism. Thus, the key to the understanding is a cooperative “oxidatively induced reductive elimination” step, which facilitates both a higher activity and a markedly different selectivity.
Electronic g Tensors in UV Complexes–A Computational Study
Authors: Moylan Helen M. , McDouall Joseph J W. 
Published: April 2017

AbstractThe theory and computation of EPR parameters from first principles has seen a great deal of development over the past two decades. In particular, various techniques for the computation of the electronic g tensor have been implemented in many quantum chemistry packages. These methods have been successfully applied to paramagnetic organic species and transition metal systems. The situation is less well‐understood and established in the case of actinide‐containing molecules and there is a dearth of experimental data available for validation of computations. In this study quantum chemical techniques have been used to evaluate the g tensor for UV complexes, for which experimental data are available for comparison. The g tensors were calculated using relatively simple, state‐averaged complete active space self‐consistent field (SA‐CASSCF) calculations. This approach is shown to be capable of providing useful accuracy. Aspects of the computations that should be refined to provide a more quantitative approach are discussed. The key features of the underlying electronic structure that influence the computed g values are delineated, providing a simple physical picture of these subtle molecular properties.
Leptolyngbyolides, Cytotoxic Macrolides from the Marine Cyanobacterium Leptolyngbya sp.: Isolation, Biological Activity, and Catalytic Asymmetric Total Synthesis
Authors: Cui Jin , Morita Maho , Ohno Osamu , Kimura Tomoyuki , Teruya Toshiaki , Watanabe Takumi , Suenaga Kiyotake , Shibasaki Masakatsu 
Published: April 2017

AbstractFour new macrolactones, leptolyngbyolides A–D, were isolated from the cyanobacterium Leptolyngbya sp. collected in Okinawa, Japan. The planar structures of leptolyngbyolides were determined by extensive NMR studies, although complete assignment of the absolute configuration awaited the catalytic asymmetric total synthesis of leptolyngbyolide C. The synthesis took advantage of the catalytic asymmetric thioamide‐aldol reaction using copper(I) complexed with a chiral bidentate phosphine ligand to regulate two key stereochemistries of the molecule at the outset. The present total synthesis demonstrates the utility of this reaction for the construction of complex chemical entities. In addition to the total synthesis, this work reports that leptolyngbyolides depolymerize filamentous actin (F‐actin) both in vitro and in cells. Detailed biological studies suggest the probable order of F‐actin depolymerization and apoptosis caused by leptolyngbyolides.
Impact of microorganisms, humidity, and temperature on the enantioselective degradation of imazethapyr in two soils
Authors: Wu Hao , He Xiaolin , Dong Huifen , Zhou Qingyan , Zhang Yongsong 
Published: April 2017

AbstractImazethapyr (IM) is a chiral herbicide composed of an (−)‐R‐enantiomer and an (+)‐S‐enantiomer with differential herbicidal activity. In this study, the effects of microbial organisms, humidity, and temperature on the selective degradation of the (−)‐R‐ and (+)‐S‐enantiomers of IM were determined in silty loam (SL) and clay loam (CL) soil with different pH values. The (−)‐R‐enantiomer of IM was preferentially degraded in two soils under different microorganism, humidity, and temperature conditions. The average half‐lives of R‐IM ranged from 43 to 66.1 days and were significantly shorter (P < 0.05) than those of S‐IM, which ranged from 51.4 to 79.8 days. The enantiomer fraction (EF = (+)‐S‐enantiomer/((−)‐R‐enantiomer + (+)‐S‐enantiomer)) values were used to describe the enantioselectivity of degradation of IM were >0.5 (P < 0.05) in two unsterilized soils under different humidity and temperature conditions. The highest EF values were observed at unsterilized CL soil samples under 50% maximum water‐holding capacity (MWHC) and 25 °C environmental conditions. The EF values of the IM enantiomers were significantly higher (P < 0.05) in CL soils (higher pH = 5.81) and were 0.581 (unsterilized) and 0.575 (50% MWHC; 25 °C) compared with those recorded in SL soil (lower pH = 4.85). In addition, this study revealed that microbial organisms preferentially utilized the more herbicidal active IM enantiomer.