bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mie‐Resonance‐Enhanced Visible Light Absorption in Dielectric‐Supported Small Pt Nanoparticles for Photocatalysis
Authors: Huang Yu , Wang Ningning , Huang Ye , Deng Liren , Shen Chenglong , Chen Yun 
Published: April 2021

AbstractStrong near‐field coupling between small catalytic Pt nanoparticles (NPs) and their dielectric supports can be achieved while visible light absorption in the Pt NPs is greatly enhanced via rationally designing the dielectric–Pt core–satellite configuration. Herein, it is demonstrated that the absorption enhancement is mediated by the Mie resonances of the support and the absorption peaks are induced by the magnetic Mie resonances. Utilizing both multipole decomposition analysis and numerical near‐field mapping, resonances including magnetic dipole, magnetic quadrupole, and higher modes are verified. For the generation of strong Mie resonances, a dielectric support with a high refractive index, like TiO2, can be used not only as the core directly, but also as a shell coated beneath or above the Pt NP layer. Additionally, the redshifts between the absorption peaks contributed by the Pt NPs and the scattering peaks contributed by the dielectric core are ascribed to the intrinsical spectral deviation between near‐ and far‐field optical properties. These findings benefit significantly both the fundamental understanding and optimized design of dielectric supported Pt photocatalysts, providing new opportunities for solar energy conversion and visible light photocatalysis using nonplasmonic catalytic transition metals.
Electrochemical Detection of 2‐Nitrophenol Using a Glassy Carbon Electrode Modified with BaO Nanorods
Authors: Alam M. M. , Asiri Abdullah M. , Rahman Mohammed M. 
Published: April 2021

AbstractHere, an electrochemical detection approach (differential pulse voltammetry) was employed to develop a 2‐nitrophenol (2‐NP) sensor probe using a glassy carbon electrode (GCE) coated by wet‐chemically synthesized nanorods (NRs) of BaO. The prepared BaO NRs were characterized by field‐emission scanning electron microscopy (FESEM), energy‐dispersive X‐ray spectroscopy (EDS), X‐ray photoelectron spectroscopy (XPS) and powder X‐ray diffraction (XRD) analysis. The peak currents by differential pulse voltammetric (DPV) analysis of 2‐NP are plotted against the concentration to obtain the calibration curve of the 2‐NP detection. It was found to be linear from 1.5 to 9.0 μM, defined as the dynamic range (LDR) for 2‐NP detection in phosphate buffer solution. The sensor sensitivity was calculated from the slope of LDR by considering the active surface area of NRs coated on GCE (0.0316 cm2) and found as 17.6 μAμM−1 cm−2. The limit of detection (LOD) was calculated as 0.50±0.025 μM from the signal/noise (S/N) ratio of 3. Moreover, the sensor analytical parameters such as reproducibility, long‐term performing ability (stability), response time and validity in real environmental samples were found acceptable and to give satisfactory results. The development of a nanomaterial‐based electrochemical chemical sensor might be an effective approach to sensor technology to detect carcinogenic and hazardous toxins for environmental safety and healthcare fields in a broad scale.
The application of precision dosing in the use of sertraline throughout pregnancy for poor and ultrarapid metabolizer CYP 2C19 subjects: A virtual clinical trial pharmacokinetics study
Authors: Almurjan Aminah , Macfarlane Hannah , Badhan Raj K. S. 
Published: April 2021

AbstractSertraline is known to undergo changes in pharmacokinetics during pregnancy. CYP 2C19 has been implicated in the interindividual variation in clinical effect associated with sertraline activity. However, knowledge of suitable dose titrations during pregnancy and within CYP 2C19 phenotypes is lacking. A pharmacokinetic modeling virtual clinical trials approach was implemented to: (i) assess gestational changes in sertraline trough plasma concentrations for CYP 2C19 phenotypes, and (ii) identify appropriate dose titration strategies to stabilize sertraline levels within a defined therapeutic range throughout gestation. Sertraline trough plasma concentrations decreased throughout gestation, with maternal volume expansion and reduction in plasma albumin being identified as possible causative reasons. All CYP 2C19 phenotypes required a dose increase throughout gestation. For extensive metabolizer (EM) and ultrarapid metabolizer (UM) phenotypes, doses of 100–150 mg daily are required throughout gestation. For poor metabolizers (PM), 50 mg daily during trimester 1 followed by a dose of 100 mg daily in trimesters 2 and 3 are required.
How good are inpatients at feigning Miranda abilities?: An investigation of the Miranda Quiz, Inventory of Legal Knowledge, and Structured Inventory of Malingered Symptomatology
Authors: Rogers Richard , Otal Tanveer K. , Velsor Sarah F. , Pan Minqi 
Published: April 2021

AbstractThe current study represents the first investigation into feigned Miranda abilities using an inpatient population. We investigated the use of a very generic measure (i.e., the Structured Inventory of Malingered Symptomatology, or SIMS) as well as two specialized forensic feigning measures: the Miranda Quiz (MQ) and Inventory of Legal Knowledge (ILK). With a quasi‐random assignment, 82 acute inpatients were evenly distributed to “feigning” and “genuine” groups. The recommended SIMS cut score > 14 performed poorly, misclassifying three‐quarters of the genuine group as feigning. In general, sensitivities on the specialized scales were constrained by the general lack of severe decrements for the feigning group. However, specificities were strong to outstanding. In particular, the MQ floor effect showed some promise but was limited by its small number of items. The strongest potential was observed for the revised ILK scales, especially the Revised Clinical ILK (RC‐ILK). When using single‐point cut scores on two prior correctional samples, the RC‐ILK produced excellent sensitivities (0.94 and 0.96) and outstanding specificities (0.98 and 0.99). Methodological issues and professional implications were discussed in the context of feigned Miranda abilities.
Ultrasound‐Assisted Extraction of Water‐Soluble Polysaccharides from the Fruit of Acanthopanaxbrachypus: Physicochemical, Structural and Functional Properties
Authors: Hu Haobin , Liang Haipeng , Wang Yufeng , Yuan Runan , Sun Jiao , Zhang Lala , Lu Yani 
Published: April 2021

AbstractThe ultrasound‐assisted extraction (UAE) parameters of total water‐soluble polysaccharides (TABPs) from Acanthopanaxbrachypus fruit were optimized by Box‐Behnken design (BBD) and response surface methodology (RSM). Physicochemical, structural, and functional properties of TABPs were investigated by chemical analysis, inductively coupled plasma optical emission spectrometry (ICP‐OES), high performance liquid chromatography (HPLC), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT‐IR), thermogravimetric analysis (TGA), water‐holding capacity (WHC), oil‐holding capacity (OHC), emulsion capacity (EC), emulsion stability (ES), as well as DPPH. and ABTS.+scavenging assays. The results showed that the maximal UAE‐yield of TABPs was 3.81±0.18 % under the optimal conditions (ultrasonic power 325 W, extraction temperature 47 °C, extraction time 22 min). TABPs was rich in some beneficial element (Mg, K, Fe, Zn and Na) but little in harmful elements (Hg, Cd, As and Pb), and displayed rough surface with flake‐like features and large dents, contained 93.89±0.08 % of total carbohydrate with more different monosaccharides including glucose, galactose, rhamnose, arabinose, mannose, xylose, and uronic acid in a molar ratio of 8.83 : 7.90 : 4.74 : 4.55 : 2.80 : 2.39 : 1.00, respectively. TABPs exhibited broad weight distribution (11.2–133.5 kDa), excellent thermal stability (>280 °C), WHC (0.61±0.08 g water/g sample) and OHC (4.53±0.12 g oil/g sample), as well as higher EC (43.75±1.23 %) and ES (38.32±1.50 %). Furthermore, TABPs also displayed remarkable scavenging activities on DPPH. and ABTS.+ in vitro. These findings provide a scientific basis for the applications of TABPs in functional additives for food, medicine, and cosmetics.
Edge‐Confined Pt1/MoS2 Single‐Atom Catalyst Promoting the Selective Activation of Carbon‐Oxygen Bond
Authors: Lou Yang , Zhao Yi , Liu Hong , Gu Qingqing , Yang Bing , Shi Yujie , Yao Tingyi , Yang Bo 
Published: April 2021

AbstractSelective activation of carbon‐oxygen bonds (like C−O and C=O) represents an essential part of the biomass conversion, but it is difficult to selectively activating the inert carbon‐oxygen bonds. We report 2D MoS2 edges confined single Pt atoms efficiently catalyze biomass‐derived crotonaldehyde to crotyl alcohol with selectivity from 90 to 100 %. The Pt1/MoS2 single‐atom catalysts have a unique HO−Mo−S−Pt1−S−Mo−OH configuration, reminiscent of an enzyme pocket‐like active site, which restricts the adsorption configuration of crotonaldehyde by a steric hindrance effect. The Pt1 atoms possess unique electronic structures due to the Pt1‐S4 configuration, which easily dissociates H2 to H species and boosts the activity. The activated H species spillover and react with O atoms on edges, forming OH and creating the HO−Mo−S−Pt1−S−Mo−OH configuration, which restricts the adsorption configuration of crotonaldehyde and yields high selectivity. The tactics of fabricating pocket‐like active sites with metal single atoms and 2D nanosheet edges shed a light on developing highly selective catalysts for biomass conversion reactions.
High‐Performance Flexible Micro‐Supercapacitors Printed on Textiles for Powering Wearable Electronics
Authors: Guo Hua , Jiang Zhen , Ren Dayong , Li Shengxia , Wang Jialin , Cai Xiaobing , Zhang Dongxing , Guo Qiuquan , Xiao Junfeng , Yang Jun 
Published: April 2021

AbstractInvited for this month's cover picture is Dr. Dayong Ren and collaborators from Shanghai University, Shanghai Mifang Tech., and University of Western Ontario. The picture shows a running man wearing a T‐shirt with printed miniaturized power sources. The printed power sources have salient features including shape conformability and convenient integration with devices. Also, these wearable electronics could act as the power sources for flexible sensors, displays, and others. Read the full text of the Article at 10.1002/celc.202100100.
The Effects of Electronegativity of X and Hybridization of C on the X−C⋅⋅⋅O Interactions: A Statistical Analysis on Tetrel Bonding
Authors: Veluthaparambath Ragima V. P. , Saha Arijit , Saha Binoy K. 
Published: April 2021

AbstractCone and distance‐cone corrected statistical analyses have been performed on X−C⋅⋅⋅O (X=H, B, C, N, O and F; the C atom is sp2 and sp3 hybridized) tetrel bonds. The sp3‐C and sp2‐C prefer to form the interactions through σ‐hole (∠XCO≈180°) and π‐hole (∠XCO≈90°), respectively. With the increase in electronegativity of X, the preference for the particular angles of the respective geometries increases and the C⋅⋅⋅O distance becomes shorter. The angular preference is found to be more prominent in the cases of π‐hole interactions than that in the σ‐hole interactions. A similar distance‐cone corrected statistical analysis on O=C⋅⋅⋅O interaction also suggests that the preferred ∠OCO angle is ∼90° and the preferred C⋅⋅⋅O distance is around the sum of van der Waals radii (3.22 Å) of the C and O atoms. However, a cone‐corrected statistical analysis on X−Si⋅⋅⋅O interactions suggests that the preference for linearity in this case is much higher than that for the X−C⋅⋅⋅O σ‐hole interactions.
Preparation of Tetrabenzo[4.4.2]undecastarphene by On‐Surface Synthesis
Authors: Jancarik Andrej , Khanh Hung Nguyen , Skidin Dmitry , Moresco Francesca , Gourdon Andre 
Published: April 2021

AbstractA large dissymmetric starphene molecule, the tetrabenzo[a,c,u,w]naphtho[2,3‐l]nonaphene, was obtained by first preparing a soluble precursor which was then sublimated on a Au(111) surface in an ultra‐high vacuum. In a second step, controlled annealings from 200 °C to 275 °C initiated two successive cyclodehydrogenation steps with the formation of 3 new carbon‐carbon bonds. A second conformer was also stable enough during the annealing step to give another compound in similar yield, the benzodibenzo[7,8,9,10]naphthaceno[2,1‐h]phenanthro[9,10‐p]hexaphene. The formation of this more‐hindered species stresses the importance of strong molecule‐surface interactions during the cyclodehydrogenations steps of these large polyaromatic hydrocarbons.
Steric Hindrance‐ and Work Function‐Promoted High Performance for Electrochemical CO Methanation on Antisite Defects of MoS2 and WS2
Authors: Yao Xue , Chen Zhi‐Wen , Liu Guo‐Jun , Lang Xing‐You , Zhu Yong‐Fu , Gao Wang , Jiang Qing 
Published: April 2021

AbstractCO methanation from electrochemical CO reduction reaction (CORR) is significant for sustainable environment and energy, but electrocatalysts with excellent selectivity and activity are still lacking. Selectivity is sensitive to the structure of active sites, and activity can be tailored by work function. Moreover, intrinsic active sites usually possess relatively high concentration compared to artificial ones. Here, antisite defects MoS2 and WS2, intrinsic atomic defects of MoS2 and WS2 with a transition metal atom substituting a S2 column, were investigated for CORR by density functional theory calculations. The steric hindrance from the special bowl structure of MoS2 and WS2 ensured good selectivity towards CO methanation. Coordination environment variation of the active sites, the under‐coordinated Mo or W atoms, effectively lowered the work function, making MoS2 and WS2 highly active for CO methanation with the required potential of −0.47 and −0.49 V vs. reversible hydrogen electrode, respectively. Moreover, high concentration of active sites and minimal structural deformation during the catalytic process of MoS2 and WS2 enhanced their attraction for future commercial application.
The hydrology of treed wetlands in thawing discontinuous permafrost regions
Authors: Disher Brenden S. , Connon Ryan F. , Haynes Kristine M. , Hopkinson Christopher , Quinton William L. 
Published: April 2021

AbstractIn peatland‐dominated regions of discontinuous permafrost, widespread permafrost thaw has led to an expansion of treed wetlands on the landscape. Treed wetlands have greater topographic variation than the collapse scar wetlands from which they evolved, but their hydrological role in the landscape has not been identified. This study examines the development of treed wetlands, and characterises their physical, thermal and hydrological properties in relation to their adjacent peat plateaus and collapse scar wetlands. Electrical resistivity tomography was used to determine the geophysical characteristics of treed wetlands. Snow cover, soil moisture and temperature, as well as water level and storm response were monitored and compared in treed wetlands, plateaus and collapse scars. Treed wetlands were permafrost free, although unlike collapse scars they may contain multi‐year ice bulbs. For treed wetlands, the late‐winter snow water equivalent, average soil temperature and moisture, unsaturated layer thickness and duration of frozen ground were all intermediate between those of peat plateaus and collapse scars. Treed wetlands interact hydrologically with adjacent peat plateaus and collapse scars in one of two types of local flow sequences depending upon topographic position, which governs the potential role of treed wetlands as a thermal buffer if treed wetlands are situated between a collapse scar wetland and permafrost‐cored peat plateau. As permafrost thaw reduces the cover of both peat plateaus and the collapse scar wetlands that develop from them, the development and expansion of treed wetlands appear to be transitioning plateau‐wetland complexes into the permafrost‐free black spruce forest.
Increased cognitive flexibility mediates the improvement of eating disorders symptoms, depressive symptoms and level of daily life functioning in patients with anorexia nervosa treated in specialised centres
Authors: Duriez Philibert , Kaya Lefèvre Héline , Di Lodovico Laura , Viltart Odile , Gorwood Philip 
Published: April 2021

AbstractObjectivePoor cognitive flexibility has been highlighted in patients with anorexia nervosa (AN), contributing to the development and maintenance of symptoms. The aim of the present study is to investigate how enhanced cognitive flexibility is involved in treatment outcomes in patients with AN.MethodOne hundred thirty female out‐patients treated for AN have been assessed at baseline and after 4 months of treatment. Path analyses were used to investigate the mediating role of cognitive flexibility, measured through the Brixton test, on a wide range of outcomes: body mass index, eating disorder symptoms, daily life functioning, anxiety, depression, emotions, self‐rated silhouette.ResultsCognitive flexibility was improved during treatment, and enhanced cognitive flexibility explains a significant part of level of the improvement in daily life functioning (26%), reduction of eating disorder symptoms (18%) and reduction of depressive symptoms (17%). Others outcomes were also improved, but these improvements were not mediated by cognitive flexibility.ConclusionsResults suggest that enhancing cognitive flexibility could help reduce rigid cognitive and behavioural patterns involved in AN, thus improving everyday functioning and clinical severity. Further studies combining different types of cognitive flexibility evaluation as well as neuroimaging may be necessary to better establish which of its aspects are involved in patients' improvement.
Comparison of Multiple Linear Regression and Biotic Ligand Models to Predict the Toxicity of Nickel to Aquatic Freshwater Organisms
Authors: Croteau Kelly , Ryan Adam C. , Santore Robert , DeForest David , Schlekat Christian , Middleton Elizabeth , Garman Emily 
Published: April 2021

Abstract
Toxicity-modifying factors can be modeled either empirically with linear regression models or mechanistically, such as with the biotic ligand model (BLM). The primary factors affecting the toxicity of nickel to aquatic organisms are hardness, dissolved organic carbon (DOC), and pH. Interactions between these terms were also considered. The present study develops multiple linear regressions (MLRs) with stepwise regression for 5 organisms in acute exposures, 4 organisms in chronic exposures, and pooled models for acute, chronic, and all data and compares the performance of the Pooled All MLR model to the performance of the BLM. Independent validation data were used for evaluating model performance, which for pooled models included data for organisms and endpoints not present in the calibration data set. Hardness and DOC were most often selected as the explanatory variables in the MLR models. An attempt was also made at evaluating the uncertainty of the predictions for each model; predictions that showed the most error tended to show the highest levels of uncertainty as well. The performances of the 2 models were largely equal, with differences becoming more apparent when looking at the performance within subsets of the data. Environ Toxicol Chem 2021;40:2189–2205. © 2021 SETAC
Testing a Bite-Shortened Hook to Minimize Fish Handling in a Recreational Fishery
Authors: Harris Holden E , Whalen Brian K , Gude Andrew G , Allen Micheal S 
Published: April 2021

Abstract
Discard mortality can make fishing unsustainable, even in catch-and-release or highly regulated fisheries. However, fishing practices and gears that minimize hook injury, handling, and air exposure can considerably improve fitness and survival in released fish. This study tested whether modified hooks could allow anglers to successfully land and then release fish in the water and without handling. Standard, barbless, and bite-shortened hooks were used to catch Spotted Seatrout Cynoscion nebulosus (n &gt; 75 per hook type), and logistic models were used to assess the differences in landing success and hook self-release success by hook type and categorical fish size. Average landing success was &gt;90% with all three hook types. Bite-shortened hooks were able to successfully self-release from 87% of landed fish, compared to success rates of 47% using barbless hooks and 20% using standard hooks. Small fish had higher rates of both unintentional release during reel-in and intentional handling-free release boatside. Size selectivity by hook type was not observed. Continued gear testing of bite-shortened hooks appears warranted with other lure types, fish species, and a diversity of anglers. With further validation, self-releasing hooks could allow for recreational fishing opportunities in sensitive fisheries or areas, e.g., no-take aquatic reserves, with minimal discard effects.
Health promotion in emerging collectivist communities: A study of dietary acculturation in the South Sudanese community in Logan City, Australia
Authors: Lanham Adeline , Lubari Edwin , Gallegos Danielle , Radcliffe Barbara 
Published: April 2021

AbstractIssue addressedUnderstanding dietary acculturation within collectivist communities is required to develop and tailor appropriate health promotion strategies to prevent diet‐related chronic diseases. This research explores the journey of the South Sudanese community living in Logan City, Australia in establishing new norms around food choices and practices over time.MethodsThree semi‐structured group interviews and a final community forum of women (n = 20) from the South Sudanese community were conducted. These explored changes in and influences on dietary practices post‐settlement. Sessions were recorded, transcribed and thematically analysed using inductive and deductive approaches. Feedback on findings from participants and community members was incorporated.ResultsParticipants reported dietary acculturation phases, including assimilation, reflection and separation, with a return to traditional foods over time. Factors influencing the transition between phases included; the characteristics of the collectivist community such as shared knowledge, experiences and resources, increased accessibility to traditional foods, and increased food and health literacy as responses to emerging diet‐related health issues.ConclusionsThe Logan City South Sudanese community has navigated a new and complex food environment with positive long‐term dietary outcomes; however, the initial decline in health due to poor diet on arrival may have been prevented.So what?Early intervention and culturally appropriate health promotion strategies that are co‐designed and tailored to the characteristics and strengths of newly settled collectivist communities are needed. These should promote the benefits of healthy traditional food habits, while assisting communities to successfully navigate a new food environment.