bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stable but Reactive Perfluoroalkylzinc Reagents: Application in Ligand‐Free Copper‐Catalyzed Perfluoroalkylation of Aryl Iodides
Authors: Aikawa Kohsuke , Nakamura Yuzo , Yokota Yuki , Toya Wataru , Mikami Koichi 
Published: November 2014

AbstractThe aromatic perfluoroalkylation catalyzed by a copper(I) salt with bis(perfluoroalkyl)zinc reagents Zn(RF)2(DMPU)2, which were prepared and then isolated as a stable white powder from perfluoroalkyl iodide and diethylzinc, was accomplished to provide the perfluoroalkylated products in good‐to‐excellent yields. The advantages of this reliable and practical catalytic reaction are 1) air‐stable and easy‐to‐handle bis(perfluoroalkyl)zinc reagents can be utilized, 2) the reagent is reactive and hence the operation without activators and ligands is simple, and 3) not only trifluoromethylation but also perfluoroalkylation can be attained.
ChemInform Abstract: Principles and Mechanisms of Photocatalytic Dye Degradation on TiO2 Based Photocatalysts: A Comparative Overview
Authors: Ajmal Anila , Majeed Imran , Malik Riffat Naseem , Idriss Hicham , Nadeem Muhammad Amtiaz 
Published: November 2014

AbstractReview: 371 refs.
Fluidized‐Bed Reactors – Status and Some Development Perspectives
Authors: Werther Joachim , Hartge Ernst‐Ulrich , Heinrich Stefan 
Published: November 2014

AbstractThis review of industrial applications of fluidized‐bed reactors is focused on the fluid catalytic cracking (FCC) process and the fluidized‐bed combustion. Both processes have a tremendous economic importance. In the FCC process, the main challenges are the increase of runtime, the adaption of the product spectrum to regional requirements of the market, and the adaption to heavier feedstocks. In fluidized‐bed combustion the main trends are towards larger units sizes, higher efficiency, and further reduced emissions while keeping the boiler as flexible as possible with regard to the mixture of fuels.
A systematic review of diastolic stress tests in heart failure with preserved ejection fraction, with proposals from the EU‐FP7 MEDIA study group
Authors: Erdei Tamás , Smiseth Otto A. , Marino Paolo , Fraser Alan G. 
Published: November 2014

AimsCardiac function should be assessed during stress in patients with suspected heart failure with preserved ejection fraction (HFPEF), but it is unclear how to define impaired diastolic reserve.Methods and resultsWe conducted a systematic review to identify which pathophysiological changes serve as appropriate targets for diagnostic imaging. We identified 38 studies of 1111 patients with HFPEF (mean age 65 years), 744 control patients without HFPEF, and 458 healthy subjects. Qualifying EF was >45–55%; diastolic dysfunction at rest was a required criterion in 45% of studies. The initial workload during bicycle exercise (25 studies) varied from 12.5 to 30 W (mean 23.1 ± 4.6), with increments of 10–25 W (mean 19.9 ± 6) and stage duration 1–5 min (mean 2.5 ± 1); targets were submaximal (n = 8) or maximal (n = 17). Other protocols used treadmill exercise, handgrip, dobutamine, lower body negative pressure, nitroprusside, fluid challenge, leg raising, or atrial pacing. Reproducibility of echocardiographic variables during stress and validation against independent reference criteria were assessed in few studies. Change in E/e' was the most frequent measurement, but there is insufficient evidence to establish this or other tests for routine use when evaluating patients with HFPEF.ConclusionsTo meet the clinical requirements of performing stress testing in elderly subjects, we propose a ramped exercise protocol on a semi‐supine bicycle, starting at 15 W, with increments of 5 W/min to a submaximal target (heart rate 100–110 b.p.m., or symptoms). Measurements during submaximal and recovery stages should include changes from baseline in LV long‐axis function and indirect echocardiographic indices of LV diastolic pressure.
Highly Stable Complexes of Divalent Metal Ions (Mg2+, Ca2+, Cu2+, Zn2+, Cd2+, and Pb2+) with a Dota‐Like Ligand Containing a Picolinate Pendant
Authors: Regueiro‐Figueroa Martín , Ruscsák Erika , Fra Laura , Tircsó Gyula , Tóth Imre , de Blas Andrés , Rodríguez‐Blas Teresa , Platas‐Iglesias Carlos , Esteban‐Gómez David 
Published: November 2014

AbstractThe stability constants of complexes of the macrocyclic ligand do3a‐pic4– (H4do3a‐pic = 2,2′,2″‐{10‐[(6‐carboxypyridin‐2‐yl)methyl]‐1,4,7,10‐tetraazacyclododecane‐1,4,7‐triyl}triacetic acid) with several divalent metal ions (Pb2+, Cd2+, Zn2+, Cu2+, Ca2+, and Mg2+) have been determined by using pH‐potentiometric titrations (I = 0.1 M KCl, 25 °C). The stability of these complexes follows the trend Cu2+ > Cd2+ ≈ Pb2+ ≈ Zn2+ >> Ca2+ >> Mg2+. A particularly high stability constant has been determined for the Cu2+ complex [log KCuL = 23.20(4)]. Analysis of the titration curves indicate the presence of protonated forms of the complexes in solution, with protonation constants of log KM(HxL) = 6.9–2.0 (x = 1, 2, or 3). The structure of the complexes in solution has been investigated by using 1H and 13C NMR spectroscopy and DFT calculations performed in aqueous solution at the TPSSh/6‐31G(d) level. In the case of the Pb2+ and Cd2+ complexes, relativistic effects were considered with the use of relativistic effective core potentials. Calculations show that the complexes with the largest metal ions (Pb2+ and Ca2+) are nine‐coordinate, with their coordination polyhedra being best described as capped twisted square antiprisms. The Cd2+ and Mg2+ complexes are seven‐coordinate, with the metal ions being bound to the four nitrogen atoms of the cyclen unit and the three acetate pendant arms. Finally, in the Cu2+ and Zn2+ complexes, the metal ions are six‐coordinated, with the metal ions being asymmetrically placed inside the macrocyclic cavity of the ligand, and the coordination polyhedra can be described as an octahedron and a trigonal prism, respectively.
Facile Synthesis of Cyclohexanediones and Dialkylresorcinols – Bioactive Natural Products from Entomopathogenic Bacteria
Authors: Kronenwerth Max , Dauth Christina , Kaiser Marcel , Pemberton Iain , Bode Helge B. 
Published: November 2014

AbstractA synthesis for the recently identified, widespread bacterial natural product classes of dialkylresorcinols and cyclohexanediones was developed. The synthesis route is similar to the biosynthesis route in that the formation of the cyclohexanedione ring results from two parts, as exemplified by the synthesis of the multifunctional isopropylstilbenes identified in Photorhabdus luminescens. Testing of these compounds revealed good bioactivity against Trypanosoma brucei rhodesiense and T. cruzi, the causative agents of sleeping sickness and Chagas disease, respectively.
Screen‐Printed Electrochemical 96‐Well Plate: a High‐Throughput Platform for Multiple Analytical Applications
Authors: Neves M. M. P. S. , González‐García M. B. , Hernández‐Santos D. , Fanjul‐Bolado P. 
Published: November 2014

AbstractA new screen‐printed electrochemical array formed by 96 three‐electrode electrochemical cells with carbon‐based working electrodes (DRP‐96X110) was developed by DropSens. The electrochemical and electro(analytical) performance of this multiple‐analysis plate is herein presented. Different proofs of concept relying on reference benchmark redox compounds, streptavidin‐biotin high affinity interactions and magnetic‐based immunoassays were carried out. The results showed the electrochemical plate versatility and usefulness as an innovative high‐throughput transducer surface for multiple and decentralized applications.
Impedance Spectroscopic Characterisation of Porosity in 3D Cell Culture Scaffolds with Different Channel Networks
Authors: Canali Chiara , Mohanty Soumyaranjan , Heiskanen Arto , Muhammad Haseena Bashir , Martinsen Ørjan Grøttem , Dufva Martin , Wolff Anders , Emnéus Jenny 
Published: November 2014

AbstractWe present the application of electrochemical impedance spectroscopy (EIS) as a method for discriminating between different polydimethylsiloxane (PDMS) scaffolds for three‐dimensional (3D) cell cultures. The validity of EIS characterisation for scaffolds having different degree of porosity (networks of structured or random channels) is discussed in relation to Archie’s law. Guidelines for EIS analysis are presented and demonstrated to provide porosity information in physiological buffer that agrees well with a more conventional weight‐based approach. We also propose frequency ranges that may serve as means of single‐frequency measurements for fast scaffold characterization combined with in vitro monitoring of 3D cell cultures.
Trends in Unconventional Well Development—Methane Emissions Associated with the Use of Dual Fuel and Dedicated Natural Gas Engines
Authors: Johnson Derek , Heltzel Robert , Nix Andrew 
Published: November 2014

AbstractThe process of unconventional natural gas recovery is becoming increasingly popular as the world’s demand for alternative fuels continues to grow. Natural gas has the potential to be a widely used fuel in the near future due to its availability and potential to displace petroleum‐based liquid fuels. As energy companies extract natural gas, current fuels, such as diesel, are consumed in mass quantities for drilling and hydraulic fracturing operations. To save on costs, and in an attempt to reduce emissions, many companies are investing in dual fuel and dedicated natural gas engines to power these operations. This trend results in new sources of methane emissions, which can contribute significantly to global warming. We are aware of the potential impact of these emissions and are conducting research funded by the Department of Energy to assess methane emissions from dual fuel and dedicated natural gas technologies, as industry moves towards more extensive use of natural gas as a fuel for onsite power production.
Adjoint‐based airfoil optimization with discretization error control
Authors: Li D. , Hartmann R. 
Published: November 2014

SUMMARYIn this article, we develop a new airfoil shape optimization algorithm based on higher‐order adaptive DG methods with control of the discretization error. Each flow solution in the optimization loop is computed on a sequence of goal‐oriented h‐refined or hp‐refined meshes until the error estimation of the discretization error in a flow‐related target quantity (including the drag and lift coefficients) is below a prescribed tolerance. Discrete adjoint solutions are computed and employed for the multi‐target error estimation and adaptive mesh refinement. Furthermore, discrete adjoint solutions are employed for evaluating the gradients of the objective function used in the CGs optimization algorithm. Furthermore, an extension of the adjoint‐based gradient evaluation to the case of target lift flow computations is employed. The proposed algorithm is demonstrated on an inviscid transonic flow around the RAE2822, where the shape is optimized to minimize the drag at a given constant lift and airfoil thickness. The effect of the accuracy of the underlying flow solutions on the quality of the optimized airfoil shapes is investigated. Copyright © 2014 John Wiley & Sons, Ltd.
Heuristic Identification of Biological Architectures for Simulating Complex Hierarchical Genetic Interactions
Authors: Moore Jason H. , Amos Ryan , Kiralis Jeff , Andrews Peter C. 
Published: November 2014

ABSTRACTSimulation plays an essential role in the development of new computational and statistical methods for the genetic analysis of complex traits. Most simulations start with a statistical model using methods such as linear or logistic regression that specify the relationship between genotype and phenotype. This is appealing due to its simplicity and because these statistical methods are commonly used in genetic analysis. It is our working hypothesis that simulations need to move beyond simple statistical models to more realistically represent the biological complexity of genetic architecture. The goal of the present study was to develop a prototype genotype–phenotype simulation method and software that are capable of simulating complex genetic effects within the context of a hierarchical biology‐based framework. Specifically, our goal is to simulate multilocus epistasis or gene–gene interaction where the genetic variants are organized within the framework of one or more genes, their regulatory regions and other regulatory loci. We introduce here the Heuristic Identification of Biological Architectures for simulating Complex Hierarchical Interactions (HIBACHI) method and prototype software for simulating data in this manner. This approach combines a biological hierarchy, a flexible mathematical framework, a liability threshold model for defining disease endpoints, and a heuristic search strategy for identifying high‐order epistatic models of disease susceptibility. We provide several simulation examples using genetic models exhibiting independent main effects and three‐way epistatic effects.
A depressive endophenotype of poorer cognition among cognitively healthy community‐dwelling adults: results from the Western Australia memory study
Authors: Johnson Leigh A. , Sohrabi Hamid R. , Hall James R. , Kevin Taddei , Edwards Melissa , O'Bryant Sid E. , Martins Ralph N. 
Published: November 2014

ObjectiveThe objective was to evaluate in a cognitively normal population the utility of an endophenotype of the depression–cognition link previously shown to be related to cognitive functioning in mild cognitive impairment and Alzheimer's disease.MethodsThe data of 460 cognitively normal adults aged 32–92 years (M = 63.5, standard deviation = 9.24) from the Western Australian Memory Study with the Cross‐national comparisons of the Cambridge Cognitive Examination‐revised (CAMCOG‐R) scores and 30‐item Geriatric Depression Scale (GDS) scores were analyzed to determine the relationship between the five‐item depressive endophenotype (DepE) scale drawn from the GDS and level of performance on a measure of cognitive functioning.ResultsFor the entire sample, there was a nonsignificant trend toward a negative relationship between DepE and CAMCOG‐R scores. When analyzed for those 65 years and older, there was a significant negative relationship between the two measures (p = 0.001) with DepE scores significantly increasing the risk for performing more poorly on the CAMCOG‐R (odds ratio = 1.53). Analysis of data for those 70 years and older showed that DepE was the only predictor significantly related to poorer CAMCOG‐R performance (p = 0.001). For the 70 years and older group, DepE scores significantly increased the risk of poorer CAMCOG‐R scores (odds ratio = 2.23). Analysis of the entire sample on the basis of ApoEε4 carrier status revealed that DepE scores were significantly negatively related only to ApoEε4 noncarrier regardless of age.ConclusionsElevated DepE scores are associated with poor neuropsychological performance among cognitively normal older adults. Use of the DepE may allow for the identification of a subset of older adults where depression is a primary factor in cognitive decline and who may benefit from antidepressant therapies. Copyright © 2014 John Wiley & Sons, Ltd.
Frontopolar activity and connectivity support dynamic conscious augmentation of creative state
Authors: Green Adam E. , Cohen Michael S. , Raab Hillary A. , Yedibalian Christopher G. , Gray Jeremy R. 
Published: November 2014

AbstractNo ability is more valued in the modern innovation‐fueled economy than thinking creatively on demand, and the “thinking cap” capacity to augment state creativity (i.e., to try and succeed at thinking more creatively) is of broad importance for education and a rich mental life. Although brain‐based creativity research has focused on static individual differences in trait creativity, less is known about changes in creative state within an individual. How does the brain augment state creativity when creative thinking is required? Can augmented creative state be consciously engaged and disengaged dynamically across time? Using a novel “thin slice” creativity paradigm in 55 fMRI participants performing verb‐generation, we successfully cued large, conscious, short‐duration increases in state creativity, indexed quantitatively by a measure of semantic distance derived via latent semantic analysis. A region of left frontopolar cortex, previously associated with creative integration of semantic information, exhibited increased activity and functional connectivity to anterior cingulate gyrus and right frontopolar cortex during cued augmentation of state creativity. Individual differences in the extent of increased activity in this region predicted individual differences in the extent to which participants were able to successfully augment state creative performance after accounting for trait creativity and intelligence. Hum Brain Mapp 36:923–934, 2015. © 2014 Wiley Periodicals, Inc.
Does Physician Dispensing Increase Drug Expenditures? Empirical Evidence from Switzerland
Authors: Kaiser Boris , Schmid Christian 
Published: November 2014

AbstractThis paper analyzes whether the opportunity for physicians to dispense drugs increases healthcare expenditures. We study the case of Switzerland, where dispensing physicians face financial incentives to overprescribe and sell more expensive pharmaceuticals. Using comprehensive physician‐level data, we exploit the regional variation in the dispensing regime to estimate causal effects. The empirical strategy consists of a doubly‐robust estimation that combines inverse probability weighting with regression. Our main finding suggests that dispensing leads to higher drug costs on the order of 34% per patient. Copyright © 2014 John Wiley & Sons, Ltd.
A 49 year hindcast of surface winds over the Iberian Peninsula
Authors: Lorente‐Plazas R. , Montávez J. P. , Jerez S. , Gómez‐Navarro J. J. , Jiménez‐Guerrero P. , Jiménez P. A. 
Published: November 2014

ABSTRACTThe use of hindcast climatic data is quite extended for multiple applications. However, this approach needs the support of a validation process to allow its drawbacks and, therefore, confidence levels to be assessed. In this work, the strategy relies on an hourly wind database resulting from a dynamical downscaling experiment, with a spatial resolution of 10 km, covering the Iberian Peninsula (IP), driven by the ERA40 reanalysis (1959–2001) extended by European Centre for Medium‐Range Weather Forecast (ECMWF) analysis (2002–2007) and comprising two main steps.Initially, the skill of the simulation is evaluated comparing the quality‐tested observational database (Lorente‐Plazas et al., 2014) at local and regional scales. The results show that the model is able to portray the main features of the wind over the IP: annual cycles, wind roses, spatial and temporal variability, as well as the response to different circulation types. In addition, there is a significant added value of the simulation with respect to driving conditions, especially in regions with a complex orography. However, some problems are evident, the major drawback being the systematic overestimation of the wind speed, which is mainly attributed to a missrepresentation of frictional forces. The model skill is also lower along the Mediterranean coast and for the Pyrenees.In a second phase, the high spatio‐temporal resolution of the pseudo‐real wind database is used to explore the limitations of the observational database. It is shown that missing values do not affect the characterisation of the wind climate over the IP, while the length of the observational period (6 years) is sufficient for most regions, with only a few exceptions. The spatial distribution of the observational sampling schemes should be enhanced to improve the correct assessment of all IP wind regimes, particularly in some mountainous areas.
Inter‐decadal variability in potential glacier surface melt energy at Vestari Hagafellsjökull (Langjökull, Iceland) and the role of synoptic circulation
Authors: Matthews T. , Hodgkins R. , Guðmundsson S. , Pálsson F. , Björnsson H. 
Published: November 2014

ABSTRACTThe surface energy balance (SEB) of glaciers, although of considerable importance for understanding the melt response to climate change, is rarely analysed for more than a few melt seasons due to the logistical challenges of meteorological measurement campaigns on glaciers. Insight into low‐frequency (inter‐decadal) changes in the SEB in response to climate warming and variable atmospheric circulation patterns has thus been limited. Here this problem is addressed by using ERA‐Interim reanalysis data to extend glacier‐meteorological records at two locations on Vestari Hagafellsjökull (Iceland) for the period 1979–2012. Trend analysis is conducted for this series before the role of synoptic circulation in modulating surface energetics is investigated. The results indicate that potential melt energy has increased significantly throughout the period of simulation at both locations (by 19.7 and 32.4%), with the largest increase evident for the turbulent heat fluxes (36.3 and 93.1%). The synoptic conditions associated with the recent high melt rates on the proximate Greenland Ice Sheet (GrIS) do not result in similarly extreme melt conditions for our Icelandic location. We also find that the North Atlantic Oscillation Index is significantly correlated with the radiative and latent heat components of the SEB. This association remains hidden if the melt rate is assessed in isolation, highlighting the utility of the SEB approach presented here for assessing synoptic aspects of glacier‐climate interactions.
Tropical cyclone activity over Madagascar during the late nineteenth century
Authors: Nash David J. , Pribyl Kathleen , Klein Jørgen , Endfield Georgina H. , Kniveton Dominic R. , Adamson George C. D. 
Published: November 2014

ABSTRACTTropical cyclones (TCs) represent the most significant natural hazard for the economy and population of Madagascar. Planning for the impacts of future cyclone strikes requires a detailed understanding of the frequency of destructive storms in the past. In this paper, we utilise historical documentary materials to construct an initial framework of TCs making landfall on Madagascar during the latter half of the 19th century. The study focuses on 1862–1900 as this is the period of most extensive documentary records. Accounts of storm damage contained within historical sources are used to reconstruct TC tracks over land, with details of wind damage converted into Fujita (F) Scale classes to classify TC intensity. A total of 20 TCs are identified, of which only 17 are included within the IBTrACS dataset for the southwest Indian Ocean. The TCs of 13–14 March 1872 and 28 January–1 February 1893 were the most destructive of the late 19th century, with F3+ levels of wind damage identified from historical accounts. We compare our results with data for TCs within the IBTrACS dataset that made landfall on Madagascar during the period 1970–2012. This comparison suggests that (1) fewer TCs made landfall during the 19th century compared with the post‐satellite era, but that of these (2) a greater proportion appear to have crossed the northeast of the island. There is no significant correlation between numbers of landfalling TCs and either mean annual SOI or DMI. We conclude with a consideration of additional archival collections that may be used in future investigations to enhance our chronology.