bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multi‐electron Reduction Capacity and Multiple Binding Pockets in Metal–Organic Redox Assembly at Surfaces
Authors: Morris Tobias W. , Huerfano I. J. , Wang Miao , Wisman David L. , Cabelof Alyssa C. , Din Naseem U. , Tempas Christopher D. , Le Duy , Polezhaev Alexander V. , Rahman Talat S. , Caulton Kenneth G. , Tait Steven L. 
Published: February 2019

AbstractMetal–ligand complexation at surfaces utilizing redox‐active ligands has been demonstrated to produce uniform single‐site metals centers in regular coordination networks. Two key design considerations are the electron storage capacity of the ligand and the metal‐coordinating pockets on the ligand. In an effort to move toward greater complexity in the systems, particularly dinuclear metal centers, we designed and synthesized tetraethyltetra‐aza‐anthraquinone, TAAQ, which has superior electron storage capabilities and four ligating pockets in a diverging geometry. Cyclic voltammetry studies of the free ligand demonstrate its ability to undergo up to a four‐electron reduction. Solution‐based studies with an analogous ligand, diethyldi‐aza‐anthraquinone, demonstrate these redox capabilities in a molecular environment. Surface studies conducted on the Au(111) surface demonstrate TAAQ′s ability to complex with Fe. This complexation can be observed at different stoichiometric ratios of Fe:TAAQ as Fe 2p core level shifts in X‐ray photoelectron spectroscopy. Scanning tunneling microscopy experiments confirmed the formation of metal–organic coordination structures. The striking feature of these structures is their irregularity, which indicates the presence of multiple local binding motifs. Density functional theory calculations confirm several energetically accessible Fe:TAAQ isomers, which accounts for the non‐uniformity of the chains.
Fully Collapsed Imploded Cryptophanes in Solution and in the Solid State
Authors: Thorp‐Greenwood Flora L. , Howard Mark J. , Kuhn Lars T. , Hardie Michaele J. 
Published: February 2019

AbstractCryptophanes with flexible linkers derived from (±)‐tris‐(4‐formyl‐phenyl)‐cyclotriguaiacylene with either bisoxydi(ethylamine) or bis(aminopropyl)ether were isolated as single crystals, the crystal structures of which showed the proposed, but previously uncharacterised, out‐in conformation, in which both cyclotriguaiacylene fragments adopt a crown conformation with one crown sitting inside the other. The usual cage‐like out‐out conformation of the cryptophanes was observed when crystals were dissolved upon heating, and the molecules collapsed back to the out‐in isomers over time. In contrast, a cryptophane also derived from (±)‐tris‐(4‐formyl‐phenyl)‐cyclotriguaiacylene but with rigid dibenzalhydrazine linkers was isolated as the more usual out‐out isomer.
Catalytic Asymmetric Hydrogenation of Dehydroamino Acid Esters with Biscarbamate Protection and Its Application to the Synthesis of xCT Inhibitors
Authors: Yasuno Yoko , Mizutani Iho , Sueuchi Yuki , Wakabayashi Yuuka , Yasuo Nozomi , Shimamoto Keiko , Shinada Tetsuro 
Published: February 2019

AbstractCatalytic asymmetric hydrogenation of dehydroamino acid esters with biscarbamate protection was examined for the first time to prepare optically active amino acids. The new method was successfully applied to the synthesis of new cystine–glutamate exchanger inhibitors.
Ground State of the Conformal Flow on 𝕊3
Authors: Bizoń Piotr , Hunik‐Kostyra Dominika , Pelinovsky Dmitry E. 
Published: February 2019

AbstractWe consider the conformal flow model derived in Bizoń et al. (2017) as a normal form for the conformally invariant cubic wave equation on 𝕊3. We prove that the energy attains a global constrained maximum at a family of particular stationary solutions that we call the ground state family. Using this fact and spectral properties of the linearized flow (which are interesting in their own right due to a supersymmetric structure), we prove nonlinear orbital stability of the ground state family. The main difficulty in the proof is due to the degeneracy of the ground state family as a constrained maximizer of the energy. © 2019 Wiley Periodicals, Inc.
Utilizing iVariantGuide for Variant Assessment of Next‐Generation Sequencing
Authors: Chaudhry Sophia R. , Tainsky Michael A. 
Published: February 2019

AbstractMolecular genetic testing provides the capability for personalized prediction, diagnosis, and pharmacological treatments of disease and disorders. Variant assessment of next‐generation sequencing (NGS) is a crucial component of genetic testing for clinicians to counsel patients on risk and management. The iVariantGuide application is a dynamic Web‐based application made for the tertiary analysis of NGS. Along with variant assessment, iVariantGuide provides a unique interactive pathway impact analysis of genetic variants, as well as a unique Gene Ontology (GO) analysis. Here we provide a step‐by‐step guide on how to utilize iVariantGuide, employing a publicly available NGS dataset consisting of a cohort of germline DNAs from high‐risk serous ovarian cancer (OVCA) patients. The application will be used to exhibit the ease in filtering down to a set of compelling novel variants and their impact on biological pathways and GO terms. © 2019 by John Wiley & Sons, Inc.
A study on popular auto‐parallelization frameworks
Authors: Prema S. , Nasre Rupesh , Jehadeesan R. , Panigrahi B.K. 
Published: February 2019

SummaryWe study five popular auto‐parallelization frameworks (Cetus, Par4all, Rose, ICC, and Pluto) and compare them qualitatively as well as quantitatively. All the frameworks primarily deal with loop parallelization but differ in the techniques used to identify parallelization opportunities. Due to this variance, various aspects, such as certain loop transformations, are supported only in a few frameworks. The frameworks exhibit varying abilities in handling loop‐carried dependence and, therefore, achieve different amounts of speedup on widely used PolyBench and NAS parallel benchmarks. In particular, Intel C Compiler (ICC) fares as an overall good parallelizer. Our study also highlights the need for more sophisticated analyses, user‐driven parallelization, and meta‐auto‐parallelizer that provides combined benefits of various frameworks.
Affinity Isolation of Defined Genomic Fragments Cleaved by Nuclease S1‐based Artificial Restriction DNA Cutter
Authors: Rajendran Arivazhagan , Shigi Narumi , Sumaoka Jun , Komiyama Makoto 
Published: February 2019

AbstractThe human genome is highly susceptible to various modifications, lesions, and damage. To analyze lesions and proteins bound to a defined region of the human genome, the genome should be fragmented at desired sites and the region of interest should be isolated. The few available methods for isolating a desired region of the human genome have serious drawbacks and can only be applied to specific sequences or require tedious experimental procedures. We have recently developed a novel method to isolate a desired fragment of the genome released by site‐specific scission of DNA using a pair of pseudo‐complementary peptide nucleic acids (pcPNAs) and S1 nuclease. When conjugated to biotin, one of the pcPNAs can be used to affinity purify the cleavage product. Here we report a detailed protocol to isolate defined kilobase‐length DNA fragments that can be applied to plasmid or genomic DNA and is not limited by sequence. © 2019 by John Wiley & Sons, Inc.
Living the life you want following a diagnosis of bipolar disorder: A grounded theory approach
Authors: Warwick Helen , Tai Sara , Mansell Warren 
Published: February 2019

AbstractBipolar disorder (BD) is considered a severe and lifelong mental health diagnosis. However, there is growing evidence of people defying the odds and recovering. Processes underlying recovery remain poorly understood. This study aimed to explore these recovery processes and extend on the length of recovery defined within previous research. Twelve people previously diagnosed with BD, who had not experienced an episode of depression and/or mania for four or more years, were interviewed. Standardised diagnostic interviews (Structured Clinical Interview for Diagnostic and Statistical Manual‐V, Research version) confirmed past diagnosis and recovery time. Qualitative methodology via grounded theory was used to analyse these personal accounts. The analysis revealed 10 overarching categories of what participants reported to be important in their recovery: support, recognition of the problem, believing that things can change and not giving up, instinctive curiosity, medication, psychological therapy, becoming the director of your own life, changing how I think, accepting who I am and how I feel, and looking after me. A model was developed to represent how categories were related. The study was limited by recruitment not leading to the inclusion of people who had distanced themselves from the label of BD. Potential transdiagnostic recovery processes also require further direct exploration. Critically, the study highlights that following a diagnosis of BD, people do experience long‐term recovery achieved through self‐determined pathways and that being able to live the life you want is therefore achievable. This challenges current diagnostic perspectives and societal messages of lifelong conditions.
Partial fraction expansion–based realizations of fractional‐order differentiators and integrators using active filters
Authors: Bertsias Panagiotis , Psychalinos Costas , Maundy Brent J. , Elwakil Ahmed S. , Radwan Ahmed G. 
Published: February 2019

SummaryApproximations of the fractional‐order differentiator and integrator operators s±r are proposed in this work. These approximations target the realization of these operators using standard active filter transfer functions. Hence, circuit implementations in integrated circuit form or in discrete component form are significantly facilitated. Complementary metal‐oxide‐semiconductor (CMOS) realizations of the proposed approximations are given and validated via simulations using the AMS 0.35 μm CMOS technology, while experimental results using operational amplifier circuits are tested and confirm the proposed theory.
Performances of machine learning algorithms for mapping fractional cover of an invasive plant species in a dryland ecosystem
Authors: Shiferaw Hailu , Bewket Woldeamlak , Eckert Sandra 
Published: February 2019

AbstractIn recent years, an increasing number of distribution maps of invasive alien plant species (IAPS) have been published using different machine learning algorithms (MLAs). However, for designing spatially explicit management strategies, distribution maps should include information on the local cover/abundance of the IAPS. This study compares the performances of five MLAs: gradient boosting machine in two different implementations, random forest, support vector machine and deep learning neural network, one ensemble model and a generalized linear model; thereby identifying the best‐performing ones in mapping the fractional cover/abundance and distribution of IPAS, in this case calledProsopis juliflora (SW. DC.). Field levelProsopiscover and spatial datasets of seventeen biophysical and anthropogenic variables were collected, processed, and used to train and validate the algorithms so as to generate fractional cover maps ofProsopisin the dryland ecosystem of the Afar Region, Ethiopia. Out of the seven tested algorithms, random forest performed the best with an accuracy of 92% and sensitivity and specificity >0.89. The next best‐performing algorithms were the ensemble model and gradient boosting machine with an accuracy of 89% and 88%, respectively. The other tested algorithms achieved comparably low performances. The strong explanatory variables forProsopisdistributions in all models were NDVI, elevation, distance to villages and distance to rivers; rainfall, temperature, near‐infrared and red reflectance, whereas topographic variables, except for elevation, did not contribute much to the current distribution ofProsopis. According to the random forest model, a total of 1.173 million ha (12.33% of the study region) was found to be invaded byProsopisto varying degrees of cover. Our findings demonstrate that MLAs can be successfully used to develop fractional cover maps of plant species, particularly IAPS so as to design targeted and spatially explicit management strategies.
Biases in studies of spatial patterns in insect herbivory
Authors: Zvereva Elena L. , Kozlov Mikhail V. 
Published: February 2019

AbstractThe properties of the human mind are responsible for a number of biases that affect the quality of scientific research. However, scientists working in the fields of ecology and environmental science rarely take these biases into account. We conducted a meta‐analysis of data extracted from 125 publications comparing woody plant damage by defoliating insects in different environments in order to understand the extent to which our knowledge on spatial patterns in herbivory is affected by various biases. We asked which research methods are most prone to biases and whether these biases lead to overestimation of the effects under study. The effect sizes (ESs) decreased with increases in the numbers of plant species involved in the study, with 61% lower ESs for herbivory estimated on all plants growing in study plots compared to herbivory on selected species. ESs also depended on the leaf sampling procedure: when all leaves from a tree or branch were sampled for measurements of herbivory or when random or systematic selection protocols were applied, ESs were 74% smaller than in cases of more subjective haphazard selection. In addition, ESs were 97% and 135% greater when the person conducting sampling and measuring was aware of the research hypothesis or sample origin, when compared with situations when the observer was blinded to these factors. The impacts of cognitive biases on the study outcomes significantly decreased with the increase in publication year; however, this pattern emerged mostly due to high‐ranked journals and was non‐significant for other journals. Using the studies of spatial patterns in herbivory as an example, we showed that our ecological and environmental knowledge is considerably biased due to an unconscious tendency of researchers to find support for their hypotheses and expectations, which generally leads to overestimation of the effects under study. Cognitive biases can be avoided by using different methods, such as applying randomization procedures in sampling and blinding of research hypotheses and sample origins. These measures should be seen as obligatory; otherwise, accumulation of the biased results in primary studies may ultimately lead to false general conclusions in subsequent research synthesis.
How big is enough? Vegetation structure impacts effective fuel treatment width and forest resiliency
Authors: Kennedy Maureen C. , Johnson Morris C. , Fallon Kendra , Mayer Deborah 
Published: February 2019

AbstractFuel treatments are designed with multiple management goals, including improving suppression capacity and restoring the historical structure of dry forests. Fuelbreaks are a class of fuel treatment that remove fuels within a wide strip of land, with an overarching objective to reduce fire behavior and provide safe access for suppression. In an empirical analysis of shaded fuelbreaks that burned during the 2014 Bald Fire (15,950 ha on the Lassen National Forest, California,USA), we found that overall fire severity was reduced in the treated areas relative to untreated. A non‐linear mixed effects model estimates that the reduction was detected more than 400 m into the treated area, greater than the standard width of the prescribed fuelbreak. Both pre‐ and post‐fire species composition differed between treated and untreated forest, with few living stems remaining in the measured untreated areas. In the post‐fire treated area, we documented a mixed conifer forest dominated by larger diameterPinus, implying that the fuelbreak did result in a more resilient post‐fire structure and composition. These results indicate that fuelbreak design may need to be wider than generally prescribed and that even during extreme fire conditions fuel treatments can result in resilient forest structures.
Predator recovery, shifting baselines, and the adaptive management challenges they create
Authors: Cammen Kristina M. , Rasher Douglas B. , Steneck Robert S. 
Published: February 2019

AbstractRecent species recoveries following historical depletion have been widely celebrated as conservation success stories. However, the recovery of highly interactive species, particularly predators, generates new management challenges that arise from their potential for wide‐ranging effects on local ecosystems and their poorly understood ecology. In marine systems, many pinniped species share parallel histories of depletion, recovery, and human conflict. Recovering from post‐exploitation populations of small size, these pinnipeds have returned to their present abundance from a largely absent, or severely reduced, recent role in many coastal ecosystems. To address the challenges arising today from real or perceived overabundance of protected pinniped species, we evaluate the prehistorical, historical, and contemporary abundances of six pinniped species that breed in the contiguous United States. This review highlights gaps in current knowledge that limit the implementation of ecologically grounded approaches to adaptive management of protected species in a time of shifting, or lifting, baselines. To address these gaps will require a diverse cadre of natural and social scientists as well as stakeholders to tackle the questions of how we define recovery at a species or ecosystem level, and when we have reached this point, how we move forward in a way that does not repeat a history of depletion, conservation, and recovery. Doing so will require an understanding of what role highly interactive species play in their ecosystems and how this role shifts with changes in ecological context, as well as the sociological and economic impacts of species restoration to humans. This knowledge is integral to the ongoing transition from a focus on preventing species extinction to new, and often unanticipated, challenges arising from the functional implications of species recovery.
Strength and range of movement deficits are associated with symptom severity in people scheduled for hip arthroscopy
Authors: Freke Matthew , Kemp Joanne , Crossley Kay , Sims Kevin , Russell Trevor , Semciw Adam 
Published: February 2019

AbstractBackgroundIdentifying the physical impairments associated with worse symptoms and greater functional limitations in people with hip pain could enable targeted rehabilitation programmes designed to improve quality of life. The objective of this study was to compare physical characteristics between subgroups of symptoms and functional limitation severity in individuals with hip pain scheduled for arthroscopic surgery.MethodsHip range of motion (ROM) and muscle strength were measured in 114 individuals (48 women; aged 32 ± 8 years) with hip pain scheduled for hip arthroscopy. Pain and disability were measured with the International Hip Outcome Tool (iHOT33) subscale of Symptoms and Functional Limitation, and a cluster analysis was used to identify mild, moderate and severe subgroups. Between‐group differences were then evaluated using multivariate analysis of covariance, including sex as a covariate, followed by post hoc testing. Significance was set at 0.05.ResultsLesser hip muscle strength in all directions was reported in the severe symptoms and functional limitation group compared to the mild group. Hip flexion ROM differed when comparing the moderate to both the mild and severe subgroups. Hip internal rotation did not differ between subgroups of severity.ConclusionsIndividuals with hip pain and severe scores in the iHOT33 subscale of symptoms and functional limitations present with significantly lesser hip muscle strength and hip flexion ROM than individuals with moderate or mild scores. Targeted programmes to improve hip strength and flexion ROM in more severe patients may help reduce symptoms and improve function.SignificanceIndividuals with severe hip pain and functional limitation possess significantly lesser muscle strength and flexion ROM than individuals with moderate or mild scores.
“Freedom of speech requires actions”: Exploring the discourse of politicians convicted of hate‐speech against Muslims
Authors: Pettersson Katarina 
Published: February 2019

AbstractThis study explores how politicians convicted of hate‐speech against Muslims account for their actions in statements on their Facebook‐pages as well as in reported interviews. Taking a critical discursive psychological perspective, the study examines the strategies through which the politicians discursively claim and resist various subject positions, thus managing to construct their hate‐speech as everything from trivial mishaps to acts of virtue. The study examines the multifaceted dynamics of these constructions, and shows how elements from the Five Step Social Identity Model of the Development of Collective Hate are flexibly deployed in the discourse to serve distinct social and political purposes. By allowing the Social Identity and (critical) discursive approaches to challenge and develop each other, the study advances social psychological research on political communication and persuasion, and contributes to the debate on the boundaries between hate‐speech and freedom of speech.
Phenolic Composition and Total Antioxidant Capacity by Electrochemical, Spectrophotometric and HPLC‐EC Evaluation in Portuguese Red and White Wines
Authors: de Araújo Rodrigues Isaíde , Gomes Sara M. C. , Fernandes Isabel Patrícia Garrido , Oliveira‐Brett Ana Maria 
Published: February 2019

AbstractPhenolic composition and in vitro total antioxidant capacity have been evaluated, in red and white Portuguese wines, by electrochemical methods, spectrophotometric methods, and reverse‐phase high performance liquid chromatography with electrochemical detection (HPLC‐EC). The different phenolic compounds present in seventeen red and white wines, with different grape varieties, and from different geographical locations, were successfully identified and detected. The wines in vitro total antioxidant capacity, using the method of capture of diphenilpicrilhydrazil (DPPH.) free radical “efficient concentration” (EC50), and the electrochemical quantitative index (EI), was determined. The wine with the highest total antioxidant capacity exhibited the lowest antioxidant power, and the EI and EC50 assays had a very good correlation.
A Smart Dental Floss for Biosensing of Glucose
Authors: Sha Pengju , Luo Xiaojin , Shi Weihua , Liu Yiqun , Cui Yue 
Published: February 2019

AbstractThe development of a simple directly wearable approach for the rapid, specific and sensitive determination of biomarkers is of great importance to a variety of biomedical applications. Dental floss can provide a unique device platform for sensing of oral biomarkers. We show here for the first time the development of a smart dental floss for biosensing of glucose. The sensor was made by painting carbon graphite ink and Ag/AgCl ink on dental floss. Via the immobilization of glucose oxidase, we show the detection of glucose with a detection range of 0.048 mM to 19.5 mM and a response time of about 2 min. It is expected that our results could provide new exciting opportunities for the development of various flexible smart sensing devices in oral health applications.