bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Efficiency, Extreme‐Numerical‐Aperture Metasurfaces Based on Partial Control of the Phase of Light
Authors: Hail Claudio U. , Poulikakos Dimos , Eghlidi Hadi 
Published: September 2018

AbstractHigh‐quality flat optical elements require efficient light deflection to large angles and over a wide wavelength spectrum. Although phase gradient metasurfaces achieve this by continuously adding phase shifts in the range of 0–2π to the electric field with subwavelength‐sized scatterers, their performance is limited by the spatial resolution of phase modulation at the interface. Here, a new class of metasurfaces is introduced, where the phase shifts cover less than the full 0–2π range, offering significant advantages. This approach allows the realization of metasurfaces with more compact and less mutually‐interacting scatterers, and thus more precise phase modulation, and advances the performance limits of metasurfaces to domains significantly beyond those of the full coverage phase gradient approach. Applying this concept to both plasmonic and dielectric surfaces, large phase gradients resulting in high‐numerical‐aperture immersion metalenses (NA = 1.4) with near diffraction‐limited resolution (≈0.32λ) at visible wavelengths are demonstrated. This concept enables added functionalities such as broadband performance and wavelength de‐multiplexing on a single layer, surpassing the theoretical cross‐polarization transmission efficiency limit for single‐layer plasmonic metasurfaces, and yields 67% efficiency for dielectric metasurfaces. This work paves the way toward realizing high‐resolution flat optical elements and efficient plasmonic metadevices.
Observation of Novel Multifunctionalities in Monolayer CdO
Authors: Ekuma Chinedu E. 
Published: September 2018

AbstractMultiferroicity, especially ferroelectric, usually fades away at the atomic limit of materials. Here, based on multiscale ab initio many‐body calculations employing first‐principles density functional theory, density functional perturbation theory, the self‐consistent quasiparticle Green function and screened Coulomb method, and the Bethe–Salpeter equation, intrinsic spontaneous polarization and ferroelectricity in monolayer CdO are observed. Using the data, a rather high electromechanical coupling coefficient of ≈6.26% is predicted. The results further reveal a direct optical bandgap of ≈3.16 eV. This direct excitation is dominated by strongly bound excitons with a binding energy of ≈1.09 eV. The predicted multifunctionalities of monolayer CdO are crucial for emerging applications in optoelectromechanical nanodevices and provide insights into its novel properties.
Genetic structure and sex‐biased gene flow in the history of southern African populations
Authors: Bajić Vladimir , Barbieri Chiara , Hübner Alexander , Güldemann Tom , Naumann Christfried , Gerlach Linda , Berthold Falko , Nakagawa Hirosi , Mpoloka Sununguko W. , Roewer Lutz , Purps Josephine , Stoneking Mark , Pakendorf Brigitte 
Published: September 2018

AbstractObjectivesWe investigated the genetic history of southern African populations with a special focus on their paternal history. We reexamined previous claims that the Y‐chromosome haplogroup E1b1b (E‐M293) was brought to southern Africa by pastoralists from eastern Africa, and investigated patterns of sex‐biased gene flow in southern Africa.Materials and methodsWe analyzed previously published complete mtDNA genome sequences and ∼900 kb of NRY sequences from 23 populations from Namibia, Botswana, and Zambia, as well as haplogroup frequencies from a large sample of southern African populations and 23 newly genotyped Y‐linked STR loci for samples assigned to haplogroup E1b1b.ResultsOur results support an eastern African origin for Y‐chromosome haplogroup E1b1b (E‐M293); however, its current distribution in southern Africa is not strongly associated with pastoralism, suggesting more complex demographic events and/or changes in subsistence practices in this region. The Bantu expansion in southern Africa had a notable genetic impact and was probably a rapid, male‐dominated expansion. Our finding of a significant increase in the intensity of the sex‐biased gene flow from north to south may reflect changes in the social dynamics between Khoisan and Bantu groups over time.ConclusionsOur study shows that the population history of southern Africa has been complex, with different immigrating groups mixing to different degrees with the autochthonous populations. The Bantu expansion led to heavily sex‐biased admixture as a result of interactions between Khoisan females and Bantu males, with a geographic gradient which may reflect changes in the social dynamics between Khoisan and Bantu groups over time.
Self‐Assembly of an Anion‐Binding Cryptand for the Selective Encapsulation, Sequestration, and Precipitation of Phosphate from Aqueous Systems
Authors: Rice Craig R. , Slater Christopher , Faulkner Robert A. , Allan Robert L. 
Published: September 2018

AbstractThe self‐assembled trimetallic species [L2Cu3]6+ contains a cavity that acts as a host to many different anions. By using X‐ray crystallography, ESI‐MS, and UV/Vis spectroscopy we show that these anions are encapsulated both in the solid state and aqueous systems. Upon encapsulation, the anions Br−, I−, CO32−, SiF62−, IO63−, VO43−, WO42−, CrO42−, SO42−, AsO43−, and PO43− are all precipitated from aqueous solution and can be removed by filtration. Furthermore, the cavity can be tuned to be selective to either phosphate or sulfate anions by variation of the pH. Phosphate anions can be removed from water, even in the presence of other common anions, reducing the concentration from 1000 to <0.1 ppm and recovering approximately 99 % of the phosphate anions.
Enantioselective Synthesis of Indolines, Benzodihydrothiophenes, and Indanes by C−H Insertion of Donor/Donor Carbenes
Authors: Souza Lucas W. , Squitieri Richard A. , Dimirjian Christine A. , Hodur Blanka M. , Nickerson Leslie A. , Penrod Corinne N. , Cordova Jesus , Fettinger James C. , Shaw Jared T. 
Published: September 2018

AbstractWe employ a single catalyst/oxidant system to enable the asymmetric syntheses of indolines, benzodihydrothiophenes, and indanes by C−H insertion of donor/donor carbenes. This methodology enables the rapid construction of densely substituted five‐membered rings that form the core of many drug targets and natural products. Furthermore, oxidation of hydrazones to the corresponding diazo compounds proceeds in situ, enabling a relatively facile one‐ or two‐pot protocol in which isolation of potentially explosive diazo alkanes is avoided. Regioselectivity studies were performed to determine the impact of sterics and electronics in donor/donor metal carbene C−H insertions to form indolines. This methodology was applied to a variety of substrates in high yield, diastereomeric, and enantiomeric ratios and to the synthesis of a patented indane estrogen receptor agonist with anti‐cancer activity.
Catalytic Isofunctional Reactions—Expanding the Repertoire of Shuttle and Metathesis Reactions
Authors: Bhawal Benjamin N. , Morandi Bill 
Published: September 2018

AbstractTransfer hydrogenation, alkene metathesis, and alkyne metathesis possess great value to the synthetic chemistry community. One of the key features of these processes is their reversibility, which can be attributed to the presence of the same number and type of functional groups in both the reactants and products, making these reactions isofunctional. These classic reactions have recently inspired the development of novel shuttle and metathesis reactions that offer great promise for synthetic chemistry. This Review describes and systematically categorizes both recent and older examples of shuttle and metathesis reactions other than transfer hydrogenation and alkene/alkyne metathesis.
Solid Residues from the Distillation of Salvia lavandulifolia Vahl as a Natural Source of Antioxidant Compounds
Authors: Sánchez‐Vioque Raúl , Izquierdo‐Melero María Elena , Quílez María , Herraiz‐Peñalver David , Santana‐Méridas Omar , Jordán María José 
Published: September 2018

AbstractThe phenolic composition and in vitro antioxidant properties of solid residues from the distillation of eight populations of Salvia lavandulifolia were investigated to select the most suitable plant materials to yield natural antioxidants. The residues showed a very different phenolic content and composition, populations SL1, SL5, SL7, and SL8 showed a good total phenolic content, and comparable results in the assays of 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) and Ferric‐Reducing Antioxidant Power (FRAP), and in the inhibition of the oxidation of linoleic acid, and consequently, seemed the most promising sources of antioxidant compounds. On the other hand, SL2, SL3, and SL4 showed remarkable iron‐chelating activities and could be of interest in the prevention of the oxidation process with participation of this metal through Fenton's reaction. The differences observed among residues in the phenolic composition had an apparently scarce influence on the activities investigated.
Mechanistic Variants in Methane Activation Mediated by Gold(I) Supported on Silicon Oxide Clusters
Authors: Chen Yi‐Ming , Wang Li‐Na , Chen Jiao‐Jiao , Chen Qiang , Jiang Li‐Xue , Zhao Yan‐Xia , Ding Xun‐Lei , He Sheng‐Gui 
Published: September 2018

AbstractCationic gold has been frequently identified as a suitable reactive species for activating methane in condensed‐phase studies. However, it is far from clear how the coordination site manipulates the activity of such species. Herein, by anchoring AuI on silicon oxide cluster supports of variable sizes, the site‐specific methane activation by AuI−Ox has been clarified by mass spectrometry in conjunction with quantum chemistry calculations. An unexpected mechanistic switch in C−H activation was identified for the cluster anions Au(SiO2)nO− (n=1–3) that selectively activate one of the four C−H bonds of methane with different reaction efficiencies: a low efficiency was observed for the two‐fold‐coordinated gold ion (AuI, 2f), which was anchored on an AuSiO3− or AuSi2O5− cluster, through an oxidative addition mechanism (a homolytic process), and high efficiency was observed for the one‐fold‐coordinated gold ion (AuI, 1f), which was supported on an AuSi3O7− cluster, through Lewis acid/base pairs mechanism (AuI, 1f⋅⋅⋅O2−, a heterolytic process). Fine regulation of the 5d orbital level of the Au atom by the oxygen ligands accounted for the mechanistic difference between AuI, 2f and AuI, 1f species. The mechanistic understanding of the reactivity of AuI−Ox at a strictly molecular level can be used to clarify the dissimilar activity of gold anchored on different oxide supports.
Nickel‐Based Bicarbonates as Bifunctional Catalysts for Oxygen Evolution and Reduction Reaction in Alkaline Media
Authors: Gui Liangqi , Chen Yaping , He Beibei , Li Geng , Xu Jianmei , Wang Qing , Sun Wenping , Zhao Ling 
Published: September 2018

AbstractOxygen electrocatalysis, including the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR), is one of the most important electrochemical processes for sustainable energy conversion and storage technologies. Herein, nickel‐based bicarbonates are, for the first time, developed as catalysts for oxygen electrocatalysis, and demonstrate superior electrocatalytic performance in alkaline media. Iron doping can significantly tune the real valence of nickel ions, and consequently tailor the electrocatalytic ability of bicarbonates. Among the nickel‐based bicarbonates, Ni0.9Fe0.1(HCO3)2 exhibits the highest bifunctional catalytic activity, with a potential difference of 0.86 V between the OER potential at a current density of 10 mA cm−2 and the ORR potential at a current density of −1 mA cm−2, which outperforms most of the reported precious‐metal‐free catalysts. The present work provides new insights into exploring efficient catalysts for oxygen electrocatalysis, and it suggests that, in addition to the extensively studied transition metal hydroxides and oxides, bicarbonates and carbonates also show great potential as precious metal‐free catalysts.
Synthesis of Macrocyclic Oligoparaphenylenes Derived from Anthracene Photodimer
Authors: Guo Lifeng , Yang Xiaodi , Cong Huan 
Published: September 2018

AbstractTwo oligoparaphenylene‐derived macrocycles were prepared using the anthracene photodimerization−cycloreversion strategy. The computational and experimental properties of these cyclic oligoparaphenylenes were conducted and compared with that of [12]cycloparaphenylene.
The relative importance of dissatisfaction, overvaluation and preoccupation with weight and shape for predicting onset of disordered eating behaviors and depressive symptoms over 15 years
Authors: Sharpe Helen , Griffiths Scott , Choo Tse‐Hwei , Eisenberg Marla E. , Mitchison Deborah , Wall Melanie , Neumark‐Sztainer Dianne 
Published: September 2018

AbstractObjectiveThe aim of this study was to examine the relative importance of dissatisfaction, overvaluation, and preoccupation with body weight and shape in predicting increases in disordered eating behaviors and depressive symptoms from adolescence through to early adulthood.MethodThe study involved 1,830 participants (60% female) who completed the Project EAT survey during adolescence (mean age = 14.90 years, SD = 1.65 years) and again, 15 years later, in early adulthood. Participants provided assessments of dissatisfaction, overvaluation and preoccupation with weight and shape, as well as disordered eating and depressive symptoms at both time points.ResultsThe three aspects of body image had distinct patterns of association with the outcomes both concurrently and longitudinally. Dissatisfaction predicted depressive symptoms as well as a wide range of disordered eating outcomes, including dieting, unhealthy weight control behaviors (UWCBs), and binge eating, particularly in female participants. Preoccupation was associated with all of these disordered eating behaviors (but not with depressive symptoms) and was notably the strongest predictor of dieting and UWCBs in female participants. Overvaluation was associated with both disordered eating and depressive symptoms, although typically was a less potent predictor of difficulties than the other aspects of body image.DiscussionDissatisfaction, overvaluation, and preoccupation are related but make distinct contributions to clinically significant outcomes. Models of eating disorders should move beyond focusing exclusively on dissatisfaction or overvaluation toward a broader conceptualisation of body image. Findings from this study particularly suggest the importance of considering preoccupation with weight and shape.
Improving estimates of environmental change using multilevel regression models of Ellenberg indicator values
Authors: Carroll Tadhg , Gillingham Phillipa K. , Stafford Richard , Bullock James M. , Diaz Anita 
Published: September 2018

AbstractEllenberg indicator values (EIVs) are a widely used metric in plant ecology comprising a semi‐quantitative description of species’ ecological requirements. Typically, point estimates of mean EIV scores are compared over space or time to infer differences in the environmental conditions structuring plant communities—particularly in resurvey studies where no historical environmental data are available. However, the use of point estimates as a basis for inference does not take into account variance among species EIVs within sampled plots and gives equal weighting to means calculated from plots with differing numbers of species. Traditional methods are also vulnerable to inaccurate estimates where only incomplete species lists are available.We present a set of multilevel (hierarchical) models—fitted with and without group‐level predictors (e.g., habitat type)—to improve precision and accuracy of plot mean EIV scores and to provide more reliable inference on changing environmental conditions over spatial and temporal gradients in resurvey studies. We compare multilevel model performance to GLMMs fitted to point estimates of mean EIVs. We also test the reliability of this method to improve inferences with incomplete species lists in some or all sample plots. Hierarchical modeling led to more accurate and precise estimates of plot‐level differences in mean EIV scores between time‐periods, particularly for datasets with incomplete records of species occurrence. Furthermore, hierarchical models revealed directional environmental change within ecological habitat types, which less precise estimates from GLMMs of raw mean EIVs were inadequate to detect. The ability to compute separate residual variance and adjusted R2 parameters for plot mean EIVs and temporal differences in plot mean EIVs in multilevel models also allowed us to uncover a prominent role of hydrological differences as a driver of community compositional change in our case study, which traditional use of EIVs would fail to reveal. Assessing environmental change underlying ecological communities is a vital issue in the face of accelerating anthropogenic change. We have demonstrated that multilevel modeling of EIVs allows for a nuanced estimation of such from plant assemblage data changes at local scales and beyond, leading to a better understanding of temporal dynamics of ecosystems. Further, the ability of these methods to perform well with missing data should increase the total set of historical data which can be used to this end.
Activity and outcomes of a cardio‐oncology service in the United Kingdom—a five‐year experience
Authors: Pareek Nilesh , Cevallos Joaquim , Moliner Pedro , Shah Mit , Tan Li Ling , Chambers Vicki , Baksi A. John , Khattar Rajdeep S. , Sharma Rakesh , Rosen Stuart D. , Lyon Alexander R. 
Published: September 2018

AimsCardio‐oncology clinics optimise the cardiovascular status of cancer patients but there is a limited description of their structure, case mix, activity and results. The purpose of this paper is to describe the activity and outcomes of a cardio‐oncology service, particularly with respect to supporting optimal cancer treatment and survival.Methods and resultsWe prospectively studied patients referred to our service from February 2011 to February 2016. New York Heart Association (NYHA) class and parameters of cardiac function were measured at baseline and after optimisation by our service. Up‐titration of cardiac treatment, continuation of cancer therapy and mortality were used as outcome measures. Of the 535 patients (55.8% females) referred, rates of cardiotoxicity for anthracyclines, anti‐HER2 agents and tyrosine kinase inhibitors were 75.8%, 69.8% and 62.1%, respectively. Patients with left ventricular systolic dysfunction (LVSD) (n =128) were younger, had higher rates of hypertension and previous exposure to chemotherapy/radiotherapy (P < 0.001). At a median follow‐up of 360 days, 93.8% of the patients with LVSD showed improvement in left ventricular ejection fraction (45% pre vs. 53% post; P < 0.001) and NYHA class (NYHA III–IV in 22% pre vs. 10% post; P = 0.01). All patients with normal left ventricular ejection fraction and biochemical or functional myocardial toxicity and 88% of patients with LVSD were deemed fit for continuation of cancer therapy after cardiovascular optimisation.ConclusionsThrough the establishment of a cardio‐oncology service, it is feasible to achieve high rates of cardiac optimisation and cancer treatment continuation.
Valorisation of Biomass Derived Furfural and Levulinic Acid by Highly Efficient Pd@ND Catalyst
Authors: Gupta Neeraj , Dimitratos Nikolaos , Su Dangsheng , Villa Alberto 
Published: September 2018

AbstractPalladium nanoparticles deposited on nanodiamonds (Pd/ND) have been demonstrated as efficient catalyst for the liquid phase hydrogenation of furfural and levulinic acid to furfuryl alcohol and γ‐valerolactone, respectively. The activity of the catalyst was compared to other counterparts such as Pd on activated carbon, graphene and carbon nanotubes respectively, and was found to depend on surface carbonyl groups. The highest stability of Pd/ND seems to be related to the presence of a higher amount of sp3 carbon compared to the other supports. The developed methodology will prove beneficial for valorization of biomass derived furfural and levulinic acid in the future biorefineries.
The Evaluation Market and Its Industry in England
Authors: Davies Philip , Morris Stephen , Fox Christopher 
Published: September 2018

AbstractThis chapter presents an analysis of the evaluation market in England. It examines the context within which evaluation takes place and the structure and dynamics of the evaluation marketplace. It charts the growth and retrenchment of demand for evaluation in England over the past 20 years or so, the diversity of commissioning arrangements, and the types of evaluation undertaken. The structure and dynamics of the supply side of the evaluation market in England over the past two decades are also considered. Specifically, these include the barriers to entry into the market, skill and expertise levels, training, professional regulation, and quality of outputs. The development of mergers, consortia, partnerships, and emergence of small‐scale evaluation companies are identified as significant trends on the supply side.
Effect of sodium triphosphate on particle size of heat‐induced whey protein concentrate aggregates
Authors: Liu Diru , Cheng Jianjun , Zhao Changhui , Guo Mingruo 
Published: September 2018

AbstractThermal treatment has been utilized to improve the functional properties of proteins for many years. In this study, we aimed to investigate the effect of sodium triphosphate (Na5P3O10) on particle size and size distribution of heat‐induced whey protein concentrate (WPC) aggregates under different processing conditions. The results showed that high Na5P3O10 level (>0.5%, w/w), long heating time (>15 min), and alkaline condition (pH 8–8.5) facilitated formation of large particles (>10 μm). The WPC aggregates with small‐to‐medium particle size (1–3 μm) that are suitable to be applied as a fat replacer were obtained by heating the WPC solution (8%, w/v) containing 0.4% (w/w) Na5P3O10 at 85°C for 5 min. We conclude that thermal treatment of whey protein concentrate added with Na5P3O10 can obtain whey protein products with different particle sizes for certain applications.