bluuebunny/crossref_metadata_2025_split huggingface dataset:
Migrating from partial least squares discriminant analysis to artificial neural networks: a comparison of functionally equivalent visualisation and feature contribution tools using jupyter notebooks
Authors: Mendez Kevin M. , Broadhurst David I. , Reinke Stacey N. 
Published: January 2020

AbstractIntroductionMetabolomics data is commonly modelled multivariately using partial least squares discriminant analysis (PLS-DA). Its success is primarily due to ease of interpretation, through projection to latent structures, and transparent assessment of feature importance using regression coefficients and Variable Importance in Projection scores. In recent years several non-linear machine learning (ML) methods have grown in popularity but with limited uptake essentially due to convoluted optimisation and interpretation. Artificial neural networks (ANNs) are a non-linear projection-based ML method that share a structural equivalence with PLS, and as such should be amenable to equivalent optimisation and interpretation methods.ObjectivesWe hypothesise that standardised optimisation, visualisation, evaluation and statistical inference techniques commonly used by metabolomics researchers for PLS-DA can be migrated to a non-linear, single hidden layer, ANN.MethodsWe compared a standardised optimisation, visualisation, evaluation and statistical inference techniques workflow for PLS with the proposed ANN workflow. Both workflows were implemented in the Python programming language. All code and results have been made publicly available as Jupyter notebooks on GitHub.ResultsThe migration of the PLS workflow to a non-linear, single hidden layer, ANN was successful. There was a similarity in significant metabolites determined using PLS model coefficients and ANN Connection Weight Approach.ConclusionWe have shown that it is possible to migrate the standardised PLS-DA workflow to simple non-linear ANNs. This result opens the door for more widespread use and to the investigation of transparent interpretation of more complex ANN architectures.
Non-destructive genome skimming for aquatic copepods
Authors: Vakati Vinod , Dodsworth Steven 
Published: January 2020

AbstractCopepods are important ecologically and represent a large amount of aquatic biomass in both freshwater and marine systems. Despite this, the taxonomy of copepods and other meiofauna is not well understood, hampered by tiny sizes, cryptic taxa, intraspecific polymorphisms and total specimen destruction where DNA methods are employed. In this article we highlight these issues and propose a more up-to-date approach for dealing with them. Namely, we recommend non-destructive DNA extraction methods, coupled with high-throughput sequencing (HTS). Whilst DNA yields may be low, they should still be sufficient for HTS library preparation and DNA sequencing. At the same time morphological specimens can be preserved and the crucial link between morphology and DNA sequence is maintained. This is critical for an integrative taxonomy and a fuller understanding of biodiversity patterns as well as evolutionary processes in meiofauna.
Rhinology: Simulation Training (Part 2)
Authors: Tornari Chrysostomos , Tedla Miroslav , Surda Pavol 
Published: January 2020

AbstractPurpose of ReviewRecently, there has been an expansion of novel technologies in simulation training. The aim of this review was to examine existing evidence about training simulators in rhinology, their incorporation into real training programmes and translation of these skills into the operating room. The first part focuses on the virtual and augmented reality simulators. The second part describes the role of physical (i.e. non-computer-based) models of endoscopic sinus surgery.Recent FindingsWe learned that an ideal sinus surgery model would score highly in all standard measures of validity whilst maintaining an attainable cost. This is a challenging goal that is worthy of pursuit given that simulation training has been shown to be cost-effective option in other domains. Non-AR or VR models are attractive ways to fill gaps in simulation training whilst reducing compared with computer-based models.SummaryIn an era of improved computer technology and improved 3D printing, it will be increasingly important to focus on both the manufacture and validation process. One area that will benefit from further technological advancement is the realistic simulation of bleeding as this would obviate the need for animal models. Future studies on ESS simulation will also need to robustly demonstrate the validity of each model with the emphasis on the ability of a model to predict performance in operative environment.
Utilization of nano-olive stones in environmental remediation of methylene blue from water
Authors: Al-Ghouti Mohammad A. , Dib Samah S. 
Published: January 2020

AbstractBackgroundThe use of agricultural waste as a low-cost adsorbent for the removal of hazardous methylene blue (MB) from aqueous solution was investigated. In this research, the potentiality of using black nano olive stones (black NOS) and green nano olive stones (green NOS) for MB adsorption was conducted.MethodsVarious remediation parameters such as initial MB concentration, pH, and temperature were investigated. Thermodynamic study was carried out to determine the homogeneity of the adsorbent and spontaneity of the adsorption process. Different physical and chemical characterizations were studied using scanning electron microscopy (SEM), Fourier transform infrared (FTIR), Brunauer-Emmett-Teller (BET) surface area, pore radius and pore volume.ResultsIt was found that NOS exhibits an acidic nature, however the highest MB removal efficiency was recorded at pH 10; reaching up to 71%. The negative value of the heat of the adsorption process (∆H ° ) indicated the reaction followed an exothermic pathway while the negative value of Gibbs adsorption (∆G ° ) further suggested its spontaneous nature. The results indicated that the Freundlich model described well the adsorption process with 99.5% correlation coefficient for green NOS. FTIR was used to analyze functional groups on the adsorbents’ surfaces that could play vital roles in the remediation process. SEM analysis revealed that the adsorbents comprised of abundant spherical deep cavities and porous nature.ConclusionThe result obtained successfully demonstrated the potential of using black and green NOS as suitable adsorbents for the removal of MB from water.
Versatile Functionalization of Carbon Nanomaterials by Ferrate(VI)
Authors: Zhou Ying , Zhang Zhao-Yang , Huang Xianhui , Li Jiantong , Li Tao 
Published: January 2020

AbstractAs a high-valent iron compound with Fe in the highest accessible oxidation state, ferrate(VI) brings unique opportunities for a number of areas where chemical oxidation is essential. Recently, it is emerging as a novel oxidizing agent for materials chemistry, especially for the oxidation of carbon materials. However, the reported reactivity in liquid phase (H2SO4 medium) is confusing, which ranges from aggressive to moderate, and even incompetent. Meanwhile, the solid-state reactivity underlying the “dry” chemistry of ferrate(VI) remains poorly understood. Herein, we scrutinize the reactivity of K2FeO4 using fullerene C60 and various nanocarbons as substrates. The results unravel a modest reactivity in liquid phase that only oxidizes the active defects on carbon surface and a powerful oxidizing ability in solid state that can open the inert C=C bonds in carbon lattice. We also discuss respective benefit and limitation of the wet and dry approaches. Our work provides a rational understanding on the oxidizing ability of ferrate(VI) and can guide its application in functionalization/transformation of carbons and also other kinds of materials.
Hollow Bio-derived Polymer Nanospheres with Ordered Mesopores for Sodium-Ion Battery
Authors: Ai Yan , You Yuxiu , Wei Facai , Jiang Xiaolin , Han Zhuolei , Cui Jing , Luo Hao , Li Yucen , Xu Zhixin , Xu Shunqi , Yang Jun , Bao Qinye , Jing Chengbin , Fu Jianwei , Cheng Jiangong , Liu Shaohua 
Published: January 2020

AbstractBio-inspired hierarchical self-assembly provides elegant and powerful bottom-up strategies for the creation of complex materials. However, the current self-assembly approaches for natural bio-compounds often result in materials with limited diversity and complexity in architecture as well as microstructure. Here, we develop a novel coordination polymerization-driven hierarchical assembly of micelle strategy, using phytic acid-based natural compounds as an example, for the spatially controlled fabrication of metal coordination bio-derived polymers. The resultant ferric phytate polymer nanospheres feature hollow architecture, ordered meso-channels of ~ 12 nm, high surface area of 401 m2 g−1, and large pore volume of 0.53 cm3 g−1. As an advanced anode material, this bio-derivative polymer delivers a remarkable reversible capacity of 540 mAh g−1 at 50 mA g−1, good rate capability, and cycling stability for sodium-ion batteries. This study holds great potential of the design of new complex bio-materials with supramolecular chemistry.
Moderating role of conflict resolution strategies in the links between peer victimization and psychological adjustment among youth
Authors: Wang Zixuan , Chen Xinyi , Liu Junsheng , Bullock Amanda , Li Dan , Chen Xinyin , French Doran 
Published: January 2020

ABSTRACTIntroductionVictims of peer victimization are likely to develop psychological adjustment difficulties. The primary goal of the present study was to examine the moderating effects of conflict resolution strategies (solution‐orientation, control, nonconfrontation) on the relations between peer victimization and psychological problems (depressive symptoms, loneliness) in Chinese early adolescents using a cross‐sectional design.MethodsParticipants included 569 children (298 boys) in fifth grade (M = 11.75 years, SD = 0.40) in urban China. Peer victimization, conflict resolution strategies, depressive symptoms, and loneliness were measured through self‐report questionnaires.ResultsPeer victimization was positively related to depressive symptoms and loneliness. The relations between peer victimization and psychological problems were moderated by adolescents' solution‐oriented and nonconfrontational strategies. Specifically, the relations between peer victimization and psychological problems, including depressive symptoms and loneliness, were attenuated by solution‐orientation strategy. In addition, victimized youth who used nonconfrontation strategy were more prone to suffer from loneliness. Gender was also found to moderate these associations.ConclusionsThe findings suggest that solution‐oriented conflict resolution strategy may protect victimized adolescents from developing loneliness and depressive symptoms and nonconfrontation conflict strategy may exacerbate feelings of loneliness of victimized adolescents. Intervention programs should consider helping victimized youth use more solution‐oriented strategies and less nonconfrontational strategies.
Moving towards independent living in Ghana: Narratives from young adults about their kinship care experience
Authors: Abdullah Alhassan , Cudjoe Ebenezer , Emery Clifton Robert , Frederico Margarita 
Published: January 2020

ABSTRACTIntroductionIn most sub‐Saharan African countries, studies on the impact of out‐of‐home care experience on the transition of young adults leaving care are limited to those leaving institutional or foster care with no empirical evidence on the experiences of those moving out of kinship care. This study reports findings from interviews with young adults with experience of kinship care in Ghana, about what lessons their kinship care experiences provided in their transition to adulthood.MethodTwenty‐five young adults aged 21–25 years (17 males, 8 females) with kinship care experience from rural communities in Ghana were purposively selected. Using a semi‐structured interview guide, a qualitative short narrative approach was employed. Consistent patterns from the short narratives were analysed using the qualitative thematic approach.ResultsKey themes identified from the participants’ narratives were a) learning from life experiences b) better decision making and c) development of resilient strategies. Young adults reported that they shaped their lives with lessons from negative experiences, advice received from caregivers and management skills obtained from the unskilled income generating activities they undertook whilst in kinship care.ConclusionThe study provides evidence for policymakers to consider kinship care as an effective, suitable and cost‐effective alternative care arrangement for children in need of adequate parental care in Ghana. When assessing kin's suitability to provide care, some emphasis should be on caregivers' needs and assessment of activities engaged in by children living in kinship care. Social workers should provide counselling and education support to children moving out of kinship care.
Adherence to the Dietary Approaches to Stop Hypertension (DASH) and hypertension risk: results of the Longitudinal Study of Adult Health (ELSA-Brasil)
Authors: Francisco S. C. , Araújo L. F. , Griep R. H. , Chor D. , Molina M. D. C. B. , Mil J. G. , Bensenor I. M. , Matos S. M. A. , Barreto S. M. , Giatti L. 
Published: January 2020

AbstractWe investigated whether high adherence to the Dietary Approaches to Stop Hypertension (DASH) diet was independently associated with lower risk of incident hypertension. Participants included 5632 adults, without hypertension at the baseline (2008–2010) of the Longitudinal Study of Adult Health, who took part in the second follow-up visit (2012–2014). Adherence to the DASH diet was estimated at baseline using a score based on eight food items (final scores from 8 to 40 points) and was categorised as high adherence (≥30 points, or ≥75 %) and low adherence (<75 %; reference). Hypertension was defined as systolic blood pressure (BP) ≥140 mmHg or diastolic BP ≥90 mmHg, or use of antihypertensive drugs. The association between adherence to the DASH diet and the risk of incident hypertension was estimated using Cox regression models adjusted by covariates. In total, 780 new cases of hypertension (13·8 %) were identified in about 3·8-year follow-up. Participants with high adherence to the DASH diet had 26 % lower risk of hypertension (hazard ratio (HR) 0·74; 95 % CI 0·57, 0·95) after adjustment for socio-demographic characteristics, health-related behaviours, diabetes and family history of hypertension. The HR reduced to 0·81 (95 % CI 0·63, 1·04) and was of borderline statistical significance after adjustment for BMI, suggesting that lower body weight explains about 10 % of the association between high adherence to the DASH diet and hypertension risk reduction. The results indicate that high adherence to the DASH diet lowered the risk of hypertension by one-fourth over a relatively short follow-up period.
GLADSTONE, DEVELOPMENT, AND THE DISCIPLINE OF HISTORY, 1840–1896
Authors: CONLIN JONATHAN 
Published: January 2020

AbstractBetween 1885 and 1891, the Liberal statesman William Ewart Gladstone debated the scientific status of the Book of Genesis with the natural historian Thomas Henry Huxley in a series of articles published in theNineteenth Century. Viewed in isolation, this episode has been seen as a case of a professional scientist dismissing an amateur interloper. This article repositions this familiar dispute as one chapter in Gladstone's lifelong engagement with the concept of historical ‘development’, the unfolding or evolution of Providence to human reason over time, a concept which came to prominence in the 1840s, in both Tractarian theology and in natural history. Gladstone consistently advocated an accommodation between transmutation and natural theology based on a probabilist ontology derived from the eighteenth-century Anglican churchman Joseph Butler (1692–1752). That understanding of historical truth to which Gladstone credited his ability to discern when political issues became ripe for agitation demanded a humble, Christian moral temper that embraced doubt and salutary suffering, rather than certainty and whiggish celebration of progress.
BREUIL–KISIN–FARGUES MODULES WITH COMPLEX MULTIPLICATION
Authors: Anschütz Johannes 
Published: January 2020

AbstractWe prove that the category of (rigidified) Breuil–Kisin–Fargues modules up to isogeny is Tannakian. We then introduce and classify Breuil–Kisin–Fargues modules with complex multiplication mimicking the classical theory for rational Hodge structures. In particular, we compute an avatar of a ‘$p$-adic Serre group’.
Multisource Bayesian Probabilistic Tsunami Hazard Analysis for the Gulf of Naples (Italy)
Authors: Grezio Anita , Cinti Francesca Romana , Costa Antonio , Faenza Licia , Perfetti Paolo , Pierdominici Simona , Pondrelli Silvia , Sandri Laura , Tierz Pablo , Tonini Roberto , Selva Jacopo 
Published: January 2020

AbstractA methodology for a comprehensive probabilistic tsunami hazard analysis is presented for the major sources of tsunamis (seismic events, landslides, and volcanic activity) and preliminarily applied in the Gulf of Naples (Italy). The methodology uses both a modular procedure to evaluate the tsunami hazard and a Bayesian analysis to include the historical information of the past tsunami events. In thethe submarine earthquakes and the submarine mass failures are initially identified in a gridded domain and defined by a set of parameters, producing the sea floor deformations and the corresponding initial tsunami waves. Differently volcanic tsunamis generate sea surface waves caused by pyroclastic density currents from Somma‐Vesuvius. In thethe tsunami waves are simulated and propagated in the deep sea by a numerical model that solves the shallow water equations. In thethe tsunami wave heights are estimated at the coast using the's amplification law. The selected tsunami intensity is the wave height. In thethe probabilistic tsunami analysis computes the long‐term comprehensive Bayesian probabilistic tsunami hazard analysis. In the prior analysis the probabilities from the scenarios in which the tsunami parameter overcomes the selected threshold levels are combined with the spatial, temporal, and frequency‐size probabilities of occurrence of the tsunamigenic sources. Theprobability density functions are integrated with thederived from the historical information based on past tsunami data. Theprobability density functions are evaluated to produce the hazard curves in selected sites of the Gulf of Naples.
Kilometer‐Scale Hydrologic Exchange Flows in a Gravel Bed River Corridor and Their Implications to Solute Migration
Authors: Zachara John M. , Chen Xingyuan , Song Xuehang , Shuai Pin , Murray Chris , Resch C. Tom 
Published: January 2020

AbstractA well‐characterized field site along a major, gravel bed river corridor was used to investigate the dynamic pathways and impacts of subsurface hydrogeologic structure on kilometer‐scale hydrologic exchange flows between river water and groundwater. An aqueous uranium (Uaq) plume exists within a hyporheic alluvial aquifer at the site that discharges to the Columbia River. We performed temporally intensive monitoring of specific conductance (SpC) and Uaq concentrations within the plume for a 2‐year period at varying distances from the river shoreline, both within and outside a presumed subsurface pathway of lateral hydrologic exchange. SpC and Uaq were utilized as in situ tracers of hydrologic exchange and associated groundwater‐surface water mixing. Seasonal river stage variations by more than 2 m caused distinct events of river water intrusion and retreat from the nearshore, hyporheic alluvial aquifer, resulting in highly dynamic SpC and Uaq patterns in monitoring wells. Simulations of hydrologic exchange and mixing were performed with PFLOTRAN to understand the observed SpC and Uaq behaviors linked to predominant flow directions and velocities in the river corridor as influenced by river stage dynamics and variable aquitard topography. By coupling robust monitoring with numerical flow and transport modeling, we demonstrate complicated multidirectional flow behaviors at the kilometer scale that strongly influenced plume dynamics. Therefore, hyporheic aquifer must be frequently monitored under different flow conditions if water quality is of concern. The resulting hydrologic understanding enables improved interpretation of hydrogeochemical data from this site and other large gravel bed river corridors in the United States and elsewhere.
Expanding Freshwater Lenses Adjacent to Gaining Rivers Through Vertical Low‐Hydraulic‐Conductivity Barriers: Analytical and Experimental Validation
Authors: Wu Huiqiang , Lu Chunhui , Yan Min , Werner Adrian D. 
Published: January 2020

AbstractFreshwater lenses within riparian zones of some arid and semiarid settings assist in maintaining the health of riparian ecosystems. We propose an approach for expanding freshwater lenses in saline aquifers adjacent to gaining rivers through the addition of a vertical barrier of low‐hydraulic‐conductivity (low‐K) parallel to the river bank. Sharp‐interface analytical solutions for the lens shape and water table distribution are developed to examine the effectiveness of the proposed method and are verified using sand tank experiments and numerical simulations. The sensitivity analysis is used to apply the method to parameters typical of the Lower River Murray (South Australia) and its floodplain aquifers. The results show that the barrier can create significant freshwater lenses in head‐controlled systems, whereas the barrier may lead to lens shrinkage in flux‐controlled systems due to saline water table rise. That is, the effectiveness of the barrier is highly dependent on the inland boundary condition. The analytical solution presented herein can be used to efficiently predict the riparian freshwater lens extent in response to engineered barriers, adding to existing techniques for studying and modifying riparian freshwater lenses.
Structure-guided design of pure orthosteric inhibitors of αIIbβ3 that prevent thrombosis but preserve hemostasis
Authors: Adair Brian D. , Alonso José L. , van Agthoven Johannes , Hayes Vincent , Ahn Hyun Sook , Yu I-Shing , Lin Shu-Wha , Xiong Jian-Ping , Poncz Mortimer , Arnaout M. Amin 
Published: January 2020

AbstractA prevailing dogma is that inhibition of vascular thrombosis by antagonizing platelet integrin αIIbβ3 cannot be achieved without compromising hemostasis, thus causing serious bleeding and increased morbidity and mortality. It is speculated that these adverse outcomes result from drug-induced activating conformational changes in αIIbβ3 but direct proof is lacking. Here, we report the structure-guided design of peptide Hr10 and a modified form of the partial agonist drug tirofiban that act as “pure” antagonists of αIIbβ3, i.e., they no longer induce the conformational changes in αIIbβ3. Both agents inhibit human platelet aggregation but preserve clot retraction. Hr10 and modified tirofiban are as effective as partial agonist drugs in inhibiting vascular thrombosis in humanized mice, but neither causes serious bleeding, establishing a causal link between partial agonism and impaired hemostasis. Pure orthosteric inhibitors of αIIbβ3 may thus provide safer alternatives for human therapy, and valuable tools to probe structure–activity relationships in integrins.