bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Graphene‐Supported Single‐Atom FeN5 Catalytic Site for Efficient Electrochemical CO2 Reduction
Authors: Zhang Huinian , Li Jing , Xi Shibo , Du Yonghua , Hai Xiao , Wang Junying , Xu Haomin , Wu Gang , Zhang Jia , Lu Jiong , Wang Junzhong 
Published: August 2019

AbstractElectrochemical conversion of CO2 into valued products is one of the most important issues but remains a great challenge in chemistry. Herein, we report a novel synthetic approach involving prolonged thermal pyrolysis of hemin and melamine molecules on graphene for the fabrication of a robust and efficient single‐iron‐atom electrocatalyst for electrochemical CO2 reduction. The single‐atom catalyst exhibits high Faradaic efficiency (ca. 97.0 %) for CO production at a low overpotential of 0.35 V, outperforming all Fe‐N‐C‐based catalysts. The remarkable performance for CO2‐to‐CO conversion can be attributed to the presence of highly efficient singly dispersed FeN5 active sites supported on N‐doped graphene with an additional axial ligand coordinated to FeN4. DFT calculations revealed that the axial pyrrolic nitrogen ligand of the FeN5 site further depletes the electron density of Fe 3d orbitals and thus reduces the Fe–CO π back‐donation, thus enabling the rapid desorption of CO and high selectivity for CO production.
Direct Observation of Oxygen Vacancy Self‐Healing on TiO2 Photocatalysts for Solar Water Splitting
Authors: Zhang Yajun , Xu Zhongfei , Li Guiyu , Huang Xiaojuan , Hao Weichang , Bi Yingpu 
Published: August 2019

AbstractOxygen vacancy (Vo) on transition metal oxides plays a crucial role in determining their chemical/physical properties. Conversely, the capability to directly detect the changing process of oxygen vacancies (Vos) will be important to realize their full potentials in the related fields. Herein, with a novel synchronous illumination X‐ray photoelectron spectroscopy (SI‐XPS) technique, we found that the surface Vos (surf‐Vos) exhibit a strong selectivity for binding with the water molecules, and sequentially capture an oxygen atom to achieve the anisotropic self‐healing of surface lattice oxygen. After this self‐healing process, the survived subsurface Vos (sub‐Vos) promote the charge excitation from Ti to O atoms due to the enriched electron located on low‐coordinated Ti sites. However, the excessive sub‐Vos would block the charge separation and transfer to TiO2 surfaces resulted from the destroyed atomic structures. These findings open a new pathway to explore the dynamic changes of Vos and their roles on catalytic properties, not only in metal oxides, but in crystalline materials more generally.
Synthesis, density functional theory studies, and sorption properties toward some divalent heavy metal ions of a new polystyrene‐supported 4‐(5‐mercapto‐1,3,4‐thiadiazol‐2‐ylimino) pentan‐2‐one polymer
Authors: Madani Salim , Charef Noureddine , Hellal Abdelkader , Garcia Daniel L. , Garcia Marta F. , Arrar Lekhmici , Mubarak Mohammad S. 
Published: August 2019

ABSTRACTThis work pertains to the synthesis, characterization, DFT, and sorption studies of a novel polystyrene‐supported 4‐(5‐mercapto‐1,3,4‐thiadiazol‐2‐ylimino) pentan‐2‐one Schiff bases from 5‐amino‐1,3,4‐thiadiazole‐2‐thiol (PSAc5A) and acetylacetone chloromethylated polystyrene (PSAc). This material was characterized by FTIR, elemental analysis, transmission electron microscopy, and thermogravimetric analysis (TGA). The chelating properties of the newly synthesized polymer toward the divalent metal Cu(II), Mn(II), Zn(II), and Ni(II) ions in aqueous solutions was studied by means of batch equilibration technique as a function of contact time, pH, mass of resin, and concentration of metal ions using atomic absorption spectrometry (AAS). Results obtained from this investigation revealed that this polymer can be used to remove heavy metal ions from the aquatic environment. In addition, the molecular structural geometry, the theoretical description of charge distribution, chemical reactivity descriptors, frontier molecular orbitals, molecular electrostatic potential (MEP), and electronic and bonding nature of the monomer structure have been investigated by using the density functional theory (DFT) in order to gain insights into the nature of this compound. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48289.
Spatial behavioural response of coastal bottlenose dolphins to habitat disturbance in southern Brazil
Authors: Agrelo Macarena , Daura‐Jorge Fábio G. , Bezamat Carolina , Silveira Thiago C.L. , Volkmer de Castilho Pedro , Rodrigues Pires José Salatiel , Simões‐Lopes Paulo C. 
Published: August 2019

Abstract

A small population of coastal bottlenose dolphins (Tursiops truncatus gephyreus) inhabits the inland waters of Laguna, southern Brazil. A subset of this population interacts with artisanal fishermen. This specialized foraging tactic structures dolphin society into ‘cooperatives' (participants of the interaction) and ‘non‐cooperatives' (non‐participants).
Between 2012 and 2015, a bridge was constructed in Laguna over an important core area for dolphins. Photo‐identification and georeferenced data collected on boat surveys, conducted both before and during bridge construction, were used to evaluate changes in both ‘cooperative' and ‘non‐cooperative' dolphin distribution.
Changes in dolphin distribution were analysed with kernel densities and hurdle models. A grid of 120 cells of area 1 km2 was used to model dolphin distribution, and the minimum distance from the grid cell centre to the bridge and to the area of gillnet use were defined as explanatory variables of human activities. Habitat descriptors (depth and distance) from the lagoon margin were also considered in the model procedure.
Dolphin distribution patterns shifted between periods. A core area used by ‘non‐cooperative' dolphins near the bridge construction works disappeared. The effects of habitat descriptor and anthropogenic activity on dolphin distribution also differed between periods. Before bridge construction, the abundance of ‘non‐cooperative' dolphin was higher close to the bridge area (p < 0.05). During bridge construction, the presence of ‘cooperative' and ‘non‐cooperative' dolphins decreased significantly with the distance from gillnet fishing activity (p < 0.01 and p < 0.001 respectively).
This study highlights the importance of accounting for individual variations in response when assessing the effects of a habitat disturbance, or when implementing conservation plans.
Comparison of three different eye‐tracking tasks for distinguishing autistic from typically developing children and autistic symptom severity
Authors: Kou Juan , Le Jiao , Fu Meina , Lan Chunmei , Chen Zhuo , Li Qin , Zhao Weihua , Xu Lei , Becker Benjamin , Kendrick Keith M. 
Published: August 2019

Altered patterns of visual social attention preference detected using eye‐tracking and a variety of different paradigms are increasingly proposed as sensitive biomarkers for autism spectrum disorder. However, few eye‐tracking studies have compared the relative efficacy of different paradigms to discriminate between autistic compared with typically developing children and their sensitivity to specific symptoms. To target this issue, the current study used three common eye‐tracking protocols contrasting social versus nonsocial stimuli in young (2–7 years old) Chinese autistic (n = 35) and typically developing (n = 34) children matched for age and gender. Protocols included dancing people versus dynamic geometrical images, biological motion (dynamic light point walking human or cat) versus nonbiological motion (scrambled controls), and child playing with toy versus toy alone. Although all three paradigms differentiated autistic and typically developing children, the dancing people versus dynamic geometry pattern paradigm was the most effective, with autistic children showing marked reductions in visual preference for dancing people and correspondingly increased one for geometric patterns. Furthermore, this altered visual preference in autistic children was correlated with the Autism Diagnostic Observation Schedule social affect score and had the highest discrimination accuracy. Our results therefore indicate that decreased visual preference for dynamic social stimuli may be the most effective visual attention‐based paradigm for use as a biomarker for autism in Chinese children. Clinical trial ID: NCT03286621 (clinicaltrials.gov); Clinical trial name: Development of Eye‐tracking Based Markers for Autism in Young Children. Autism Res 2019, 12: 1529–1540. © 2019 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryEye‐tracking measures may be useful in aiding diagnosis and treatment of autism, although it is unclear which specific tasks are optimal. Here we compare the ability of three different social eye‐gaze tasks to discriminate between autistic and typically developing young Chinese children and their sensitivity to specific autistic symptoms. Our results show that a dynamic task comparing visual preference for social (individuals dancing) versus geometric patterns is the most effective both for diagnosing autism and sensitivity to its social affect symptoms.
The Three Rs of Risk Management
Authors: Irias Xavier 
Published: August 2019

Key TakeawaysReliability, robustness, and resilience are concepts that can raise the level of discourse and improve risk communications and risk management.Risk affects water utilities in various contexts, such as selection of long‐term strategies for capital investments or climate adaptation.The water industry needs risk management solutions that strive for reliability and robustness and are informed by the concept of resilience.
Thermoluminescence emission on lead oxychloroborate glasses under UV exposure
Authors: Menezes D.L.A. , Bannwart E.S. , De Souza J.E. , Rojas S.S. 
Published: August 2019

AbstractGlassy materials were prepared using two different systems: 50B2O3 – (50 − x)PbO − xPbCl2, with x = 0, 2 and 5 in mol % (System BPCl‐I) and 50BO1.5 – (50 − x)PbO − xPbCl2 with x = 0, 2, 5 and 7 in cationic % (System BPCl‐II). Structural and optical characterization showed that PbCl when substituted for PbO changed the structure of the glass network by replacing nonbridging oxygens for chlorine ions. This substitution also caused a change in the number of defects responsible for thermoluminescence (TL) emission (electrons and hole trap centres). Thermoluminescence emissions were observed for the first time in lead oxychloroborate glasses after exposure to UV radiation. Sample BPCl‐I‐2 (x = 2 from System I) demonstrated better TL emission compared with other glass samples. One intense peak in the glow curve, centred at ~122°C followed by a shoulder at ~180°C, was highly sensitive to UV radiation. There were also good linear responses at dose range ~0.4 to ~2 J/cm2 for the first peak (low temperature) and ~0.4 to ~4 J/cm2 for the second peak (high temperature).
Carers’ experiences of dementia support groups: A qualitative exploration
Authors: West Melanie , Hogan Kevin Francis 
Published: August 2019

AbstractDementia rates are growing (WHO, 2017) and as dementia is associated with a loss of independence, carers are required. Caring for a dementia patient places great demands on the carer’s resources (WHO, 2017). Previous research has indicated that whilst carers are at increased risk of poor mental and physical health (Diener & Chan, 2011; Mahoney, Regan, Katona, & Livingston, 2005; Mausbach, Patterson, Rabinowitz, Grant, & Schulz, 2007), there are some effective protective measures against these increased risks (Cooper et al., 2012; Elvish, Lever, Johnstone, Cawley, & Keady, 2013; Kaufman, Kosberg, Leeper, & Tang, 2010).AimsThis study aimed to evaluate a dementia support group, in relation to protective measures including social and emotional support, in a real‐life rural setting from a carers’ perspective.MethodFourteen informal carers of dementia patients were interviewed about their experiences of attending dementia support groups. The interviews were transcribed verbatim and subject to thematic analysis.FindingsThe analysis showed that attendance to the support group was associated with subjective well‐being and that social support provided by the group was both stimulating and supportive for the carers. Participants valued the opportunity to share their experiences of being a carer with fellow group members and finding out about resources. Frequently, participants reported that the time period surrounding their loved one receiving a diagnosis of dementia was traumatic and they needed time to adjust to their new circumstances before attending a support group.ConclusionsImplications for wider employment of support groups as a format of support for carers are discussed.
Bidentate Ru(II)‐NC Complexes as Catalysts for α‐Alkylation of Unactivated Amides and Esters
Authors: Gong Dawei , Hu Bowen , Yang Weiwei , Chen Dafa 
Published: August 2019

AbstractFive Ru(II)‐NC complexes were tested as catalysts for α‐alkylation of unactivated amides using alcohols as alkylating agents, and complex {(C5H4N)‐(C6H4)}RuCl(CO)(PPh3)2 (1) showed the highest activity. With 0.5 mol% catalyst loading, a series of α‐alkylated amides were isolated at 80 °C within 6 hours. Furthermore, under similar conditions, complex 1 was also active for α‐alkylation of unactivated esters with alcohols, and the reaction time was shortened to 1.5 hours. The catalytic performance of 1 is comparable to the best reported catalyst.
Incorporating brand variability into classification of edible oils by Raman spectroscopy
Authors: Kwofie Francis , Lavine Barry K. , Ottaway Joshua , Booksh Karl 
Published: August 2019

AbstractTwo‐hundred and fifteen Raman spectra of 15 edible oils or blends of edible oils from 53 samples spanning multiple brands purchased over 3 years were investigated using a genetic algorithm for spectral pattern recognition. Using a hierarchical approach to classification, the 15 edible oils could be divided into two groups based on their degree of unsaturation. While edible oils from any particular batch within a class are well clustered and can be differentiated from other varieties of edible oils that are also from a single source, incorporating uncontrolled variability from sources (by purchasing edible oils under different brand names) and seasons (by purchasing edible oils over a 3‐year period) presented a far more challenging classification problem for edible oils within the same group. The between‐source and yearly variability within one class of edible oils is often comparable to differences between the average spectra of the different varieties of edible oils, thereby preventing either a reliable classification of the edible oils or the detection of adulterants in an edible oil if a single model, spanning all sources and years of oils, is to be constructed. The novelty of this study arises from the incorporation of edible oils gathered systematically over the span of 3 years, introducing a heretofore unseen variance to the chemical compositions of the edible oils that are being classified. This is the first time that many different edible oils and commercially available brands thereof have been classified simultaneously.
Reduction of Graphene Oxide by Alcohol Thermal Treatment and Its Energy Storage Performance
Authors: Chen Bing , Jiang Li , Wu Jun , Hu Ailin , Lu Xiaoying , Jiang Qi 
Published: August 2019

AbstractGraphene oxide (GO) is thermally reduced by closed alcohol thermal treatment without adding any reducing agent. The obtained sample is named as ethanol reduced GO (GE), which is characterized by Fourier transform infrared spectroscopy, Raman spectroscopy, X‐ray diffraction, scanning electron microscopy, photoelectron spectroscopy and nitrogen adsorption desorption testing. The results show that the operation not only removes most of the oxygen‐containing groups, but also repairs some defects to form a perfect graphene layered structure. GE has a shell‐like layer structure without obvious agglomeration. When it is assembled into electrochemical supercapacitor, GE shows a capacitance of 195 F/g with a current density of 1 A/g (organic electrolyte), which is better than that of hydrothermal‐reduced GO (140.5 F/g) at the same conditions, showing a potential application prospect in the energy storage field.
EASE: Energy‐efficient task scheduling for edge computing under uncertain runtime and unstable communication conditions
Authors: Yan Hui , Li Ya , Zhu Xiaomin , Zhang Dayu , Wang Ji , Chen Huangke , Bao Weidong 
Published: August 2019

SummaryContinuously growing network traffic has become a major technical bottleneck of the cloud service to develop the Internet of Things (IoTs) and mobile applications. Edge computing as a promising computing pattern deployed close to service users is expected to improve the quality of service (QoS). To fully utilize the capabilities of edge devices, a Device‐to‐Device (D2D)–based computing resource sharing and aggregation framework is proposed. Under this framework, this paper exploits the Beta distributions to characterize the uncertain communication rate and processing capability of the edge environment. The reliability and energy consumption of local computing and shared computing under uncertain conditions are, respectively, studied. We model the task scheduling as an Integer Programming problem, whose objective is to minimize the energy consumption while ensuring the reliability. Based on that, a heuristic task scheduling algorithm named EASE is proposed. Through a lot of simulation experiments, the performance of EASE is effectively evaluated under the static and dynamic environments. Compared with three comparison algorithms, EASE shows many advantages in terms of reliability, adaptability, and energy saving.
CD163+ macrophages infiltration correlates with the immunosuppressive cytokine interleukin 10 expression in tongue leukoplakia
Authors: Shigeoka Manabu , Koma Yu‐ichiro , Nishio Mari , Komori Takahide , Yokozaki Hiroshi 
Published: August 2019

AbstractObjectiveAccumulating evidence suggests that macrophages are involved in the immunoediting of oral squamous cell carcinoma but the role of macrophages in oral carcinogenesis is unclear. We aimed to clarify the role of macrophages in oral leukoplakia, which is the most common oral potentially malignant disorder from immunotolerance viewpoint.Materials and methodsThe study included 24 patients who underwent surgical resection for tongue leukoplakia. The relationships between macrophage markers and clinicopathological factors were assessed. Conditioned medium was harvested from the CD163+ human monocytic leukaemia cell line, THP‐1. The phenotypic alteration of human oral keratinocytes by the conditioned medium treatment was assessed using quantitative reverse transcription‐polymerase chain reaction and enzyme‐linked immunosorbent assay. Moreover, the clinical samples were evaluated using immunohistochemistry.ResultsTongue leukoplakia tissues with high CD163+ macrophage infiltration were associated with significantly higher degrees of epithelial dysplasia, abnormal Ki‐67 expression and cytokeratin13 loss when compared with the tissues with low CD163+ macrophage infiltration. In vitro, CD163+ THP‐1 conditioned medium induced immunosuppressive molecules, especially interleukin‐10 (IL‐10) in human oral keratinocytes. The IL‐10 expression levels showed significant positive correlations with not only the numbers of FOXP3+ regulatory T cells but also that of CD163+ macrophages.ConclusionsIn tongue leukoplakia, CD163+ macrophages infiltration correlates with immunosuppressive cytokine IL‐10 expression.
Commercial supercapacitor parameter estimation from step voltage excitation
Authors: Fouda Mohammed E. , Elwakil Ahmed S. , Allagui Anis 
Published: August 2019

SummarySupercapacitors are crucial elements in advanced industrial electronic systems particularly when supplied from renewable energy sources. Here, we derive expressions for the current, power, and stored energy in a supercapacitor excited with a step voltage signal. Although, it is not common practice to charge supercapacitors using a step voltage, these devices are sometimes used in switching‐type applications where they are subject to this type of signal. We validate the derived mathematical expression of the current via experiments on four different commercial devices. By fitting the measured current data to the derived expression, the parameters of these devices, which are modeled as a series connection of an internal resistance and a constant phase element (CPE), are also estimated. Power and energy are then evaluated followed by the estimation of the effective capacitance for each device. Our analysis makes use of fractional order calculus as opposed to classical integer‐order models.
Diagnostic cytological features and differential diagnosis of subacute granulomatous (De Quervain's) thyroiditis
Authors: Sahin Davut , Akpolat İlkser 
Published: August 2019

AbstractBackgroundThe aims of the study are to identify the diagnostic cytological features of subacute granulomatous thyroiditis (SGT), to compare our results with previous literature studies, and to investigate the cytological changes in SGT that mimic other thyroid lesions.MethodsThis retrospective study was conducted with 69 cases. The cytology slides were re‐evaluated. The diagnostic cytomorphological features of the disease were identified. The results were compared with the literature. Differential diagnosis of the disease is discussed with the results obtained.ResultsThe diagnostic cytological features consisted of lymphocytes, multinucleated giant cells, loose epithelioid histiocyte groups, granulomas, isolated epithelioid histiocytes, colloid, and neutrophil leukocytes. The highest degree of concordance between our results and the published literature was the presence of giant cells while the lowest was for microfollicles. Some reactive cytological features of SGT were similar to other benign or malignant diseases of the thyroid.ConclusionSGT is a rare and self‐limiting disease. Cytological features are not specific. The diagnosis should be confirmed by clinical and laboratory results. Reactive atypia in the early phase of the disease and microfollicles in the late phase may lead to a false cytological diagnosis, thus resulting in unnecessary resection. To prevent such misdiagnoses, cytopathologists should be aware of the reactive cytological changes in this disorder.
Genetic variation in tree leaf chemistry predicts the abundance and activity of autotrophic soil microorganisms
Authors: Selmants Paul C. , Schweitzer Jennifer A. , Adair Karen L. , Holeski Liza M. , Lindroth Richard L. , Hart Stephen C. , Whitham Thomas G. 
Published: August 2019

AbstractGenetic variation in the chemistry of plant leaves can have ecosystem‐level consequences. Here, we address the hypothesis that genetic variation in foliar condensed tannins along a Populus hybridization gradient influences soil ammonia oxidizers, a group of autotrophic microorganisms that perform the first step of nitrification and are not dependent on carbon derived from plant photosynthesis. Evidence that genetically based plant traits influence the abundance and activity of autotrophic soil microbes would greatly expand the concept of extended plant phenotypes. We found that increasing foliar condensed tannin concentration reduced rates of soil nitrification potential by ~75%, reduced the abundance of ammonia‐oxidizing archaea by ~66%, but had no effect on ammonia‐oxidizing bacteria. Other indices that often drive nitrification rates, including soil total nitrogen, foliar nitrogen, and soil pH, were not significant predictors of either the activity or the abundance of ammonia oxidizers, suggesting genetic variation in foliar condensed tannins may be the dominant regulating factor. These results demonstrate the condensed tannin phenotypes of two different tree species and their naturally occurring hybrids have extended effects on a key ecosystem process and provide evidence for indirect genetic linkages among autotrophs across at least two domains of life.