bluuebunny/crossref_metadata_2025_split huggingface dataset:
Excellent HER and OER Catalyzing Performance of Se‐Vacancies in Defects‐Engineered PtSe2: From Simulation to Experiment
Authors: Chang Yuan , Zhai Panlong , Hou Jungang , Zhao Jijun , Gao Junfeng 
Published: November 2021

AbstractFaced with grave climate change and enormous energy demands, effective catalysts have become more and more important due to their significant effects on reducing fossil fuels consumption. The hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by water splitting are feasible ways to produce clean sustainable energy. Here, atomic structures and related scanning tunneling microscope images of Se defects in PtSe2 are systematically explored. The equilibrium fractions of vacancies under variable conditions are predicted in detail. In addition, it is found that the vacancies are highly kinetically stable, without recovering or aggregation. The Se vacancies in PtSe2 can dramatically enhance the HER performance, comparing to Pt(111). It is also revealed that a PtSe2 monolayer with Se vacancies is also a good OER catalyst. The excellent bipolar catalysis of Se vacancies is further confirmed by experimental measurements. A defective PtSe2 made via direct selenization of Pt foil at 773 K using a chemical vapor deposition process is produced. It is shown that the HER and OER performance of defective PtSe2 is much more efficient than Pt foils by a series of measurements. This work, with its compelling theoretical and experimental studies indicates PtSe2 with Se defects is an ideal bipolar candidate for HER and OER.
Variant connective tissue (joint hypermobility) and dysautonomia are associated with multimorbidity at the intersection between physical and psychological health
Authors: Csecs Jenny L. L. , Dowell Nicholas G. , Savage Georgia K. , Iodice Valeria , Mathias Christopher J. , Critchley Hugo D. , Eccles Jessica A. 
Published: November 2021

AbstractThe symptoms of joint hypermobility extend beyond articular pain. Hypermobile people commonly experience autonomic symptoms (dysautonomia), and anxiety or related psychological issues. We tested whether dysautonomia might mediate the association between hypermobility and anxiety in adults diagnosed with mental health disorders and/or neurodevelopmental conditions (hereon referred to as patients), by quantifying joint hypermobility and symptoms of autonomic dysfunction. Prevalence of generalized joint laxity (hypermobility) in 377 individuals with diagnoses of mental health disorders and/or neurodevelopmental conditions was compared to prevalence recorded in the general population. Autonomic symptom burden was compared between hypermobile and non‐hypermobile patients. Mediation analysis explored relationships between hypermobility, autonomic dysfunction, and anxiety. Patient participants had elevated prevalence of generalized joint laxity (38%) compared to the general population rate of 19% (odds ratio: 2.54 [95% confidence interval: 2.05, 3.16]). Hypermobile participants reported significantly more autonomic symptoms. Symptoms of orthostatic intolerance mediated the relationship between hypermobility and diagnosis of an anxiety disorder. Patients with mental health disorders and/or neurodevelopmental conditions have high rates of joint hypermobility. Accompanying autonomic dysfunction mediates the association between joint hypermobility and clinical anxiety status. Increased recognition of this association can enhance mechanistic understanding and improve the management of multimorbidity expressed in physical symptoms and mental health difficulties.
Multi‐Stimuli‐Induced Mechanical Bending and Reversible Fluorescence Switching in a Single Organic Crystal
Authors: Zheng Xin , Liu Xiaojing , Liu Lijie , Li Xiaochuan , Jiang Song , Niu Caoyuan , Xie Puhui , Liu Guoxing , Cao Zhanqi , Ren Yunlai , Qin Yuchen , Wang Jianji 
Published: November 2021

AbstractFluorescent single crystals that respond to multiple external stimuli are of great interest in molecular machines, sensors, and displays. The integration of photo‐ or acid‐induced fluorescence enhancement and bending in one organic crystal, however, has not been reported yet. Herein, we report the interesting plastic photomechanical bending and switching on of the fluorescence of an azine crystal in a single‐crystal transformation, due to extended π‐conjugation and molecular slippage. Moreover, the fluorescent plastic bending driven by multiple volatile acid vapors was firstly observed, and attributed to the synergistic effect of push–pull electronic structure and hydrogen bonding. The single crystal also shows high elasticity under external force. In addition, reversible fluorescence switching can be triggered by grinding and solvent fuming, as well as by the adsorption and desorption of HCl vapor. The integration of plastic, elastic bending and switch‐on fluorescence into one single crystal provides a new strategy for next‐generation smart materials.
Imparting CO2 Electroreduction Auxiliary for Integrated Morphology Tuning and Performance Boosting in a Porphyrin‐based Covalent Organic Framework
Authors: Wang Yi‐Rong , Ding Hui‐Min , Ma Xiao‐Yu , Liu Ming , Yang Yi‐Lu , Chen Yifa , Li Shun‐Li , Lan Ya‐Qian 
Published: November 2021

AbstractStrategies that enable simultaneous morphology‐tuning and electroreduction performance boosting are much desired for the exploration of covalent organic frameworks in efficient CO2 electroreduction. Herein, a kind of functionalizing exfoliation agent has been selected to simultaneously modify and exfoliate bulk COFs into functional nanosheets and investigate their CO2 electroreduction performance. The obtained nanosheets (Cu−Tph−COF−Dct) with large‐scale (≈1.0 μm) and ultrathin (≈3.8 nm) morphology enable a superior FECH4 (≈80 %) (almost doubly enhanced than bare COF) with large current‐density (−220.0 mA cm−2) at −0.9 V. The boosted performance can be ascribed to the immobilized functionalizing exfoliation agent (Dct groups) with integrated amino and triazine groups that strengthen CO2 absorption/activation, stabilize intermediates and enrich the CO concentration around the Cu active sites as revealed by DFT calculations. The point‐to‐point functionalization strategy for modularly assembling Dct‐functionalized COF catalyst for CO2 electroreduction will open up the attractive possibility of developing COFs as efficient CO2RR electrocatalysts.
Preparing Two‐Dimensional Ordered Li0.33La0.557TiO3 Crystal in Interlayer Channel of Thin Laminar Inorganic Solid‐State Electrolyte towards Ultrafast Li+ Transfer
Authors: Lv Ruixin , Kou Weijie , Guo Shiyuan , Wu Wenjia , Zhang Yatao , Wang Yong , Wang Jingtao 
Published: November 2021

AbstractInorganic superionic conductor holds great promise for high‐performance all‐solid‐state lithium batteries. However, the ionic conductivity of traditional inorganic solid electrolytes (ISEs) is always unsatisfactory owing to the grain boundary resistance and large thickness. Here, a 13 μm‐thick laminar framework with ≈1.3 nm interlayer channels is fabricated by self‐assembling rigid, hydrophilic vermiculite (Vr) nanosheets. Then, Li0.33La0.557TiO3 (LLTO) precursors are impregnated in interlayer channels and afterwards in situ sintered to large‐size, oriented, and defect‐free LLTO crystal. We demonstrate that the confinement effect permits ordered arrangement of LLTO crystal along the c‐axis (the fastest Li+ transfer direction), permitting the resultant 15 μm‐thick Vr‐LLTO electrolyte an ionic conductivity of 8.22×10−5 S cm−1 and conductance of 87.2 mS at 30 °C. These values are several times’ higher than that of traditional LLTO‐based electrolytes. Moreover, Vr‐LLTO electrolyte has a compressive modulus of 1.24 GPa. Excellent cycling performance is demonstrated with all‐solid‐state Li/LiFePO4 battery.
Effect of heteroatom‐doped carbon quantum dots on the red emission of metal‐conjugated phthalocyanines through hybridization
Authors: Eryiğit Şule , Gelir Ali , Budak Esranur , Ünlü Caner , Gömleksiz Azize , Özçeşmeci İbrahim , Gül Ahmet 
Published: November 2021

AbstractQuantum dots (QDs) are significant fluorescent materials for energy transfer studies with phthalocyanines (Pcs) and phthalocyanine (Pc)‐like biomolecules (such as chlorophylls). Carbon‐based QDs, especially, have been used in numerous studies concerning energy transfer with chlorophylls, but the numbers of studies concerning energy transfer between phthalocyanines and carbon‐based QDs are limited. In this study, peripherally, hydroxythioethyl terminal group substituted metal‐free phthalocyanine (H2Pc) and zinc phthalocyanine (ZnPc) were noncovalently (electrostatic and/or π–π interaction) attached to carbon QDs containing boron and nitrogen to form QD‐Pc nanoconjugates. The QD‐Pc conjugates were characterized using different spectroscopic techniques (Fourier transform infrared spectroscopy and transmission electron microscopy). The absorption and fluorescence properties of QD‐Pc structures in solution were studied. It was found that the quantum yields of the QDs slightly decreased from 30% to 25% upon doping the QDs with heteroatoms B and N. Förster resonance energy transfer efficiency was calculated as 33% for BCN‐QD/ZnPc. For the other conjugates, almost no energy transfer from QDs to Pc cores was observed. It was shown that the energy transfer between QDs to Pc cores was completely different from the energy transfer between QDs and photosynthetic pigments, and therefore we concluded that heteroatom doping in the QD structure and the existence of zinc metal in the phthalocyanine structure is obligatory for an efficient energy transfer.
A novel spectrofluorimetric method for determination of lomefloxacin adopting on zinc(II) chelation strategy: Application in human plasma
Authors: Attia Tamer Z. , Omar Mahmoud A. , Nour El‐Deen Deena A. M. , Mohamed Abbas Asmaa , Mohamed Abobakr A. 
Published: November 2021

AbstractA new sensitive and instantaneous spectrofluorimetric method for efficient determination of lomefloxacin (LMX) in its pure, dosage form and human plasma was designed. The developed method depends on formation of a metal‐chelation compound of LMX as a ligand with zinc(II) in a buffer of acetate (pH 5.5). The following parameters; type of metal, concentration of metal, pH, type of buffer and diluting solvent were optimized. After carefully investigation; 0.2 mM zinc, 2.0 ml acetate buffer (pH 5.5) and water as diluting solvent were set as optimum reaction conditions. Under these conditions, a large increase in the intensity of the fluorescence of LMX was attained at 450 after excitation at 284 nm. The limits of detection and quantification were 5.8 and 1.9 ng ml−1, respectively, with linearity range of 10.0 to 500.0 ng ml−1. The binding mode of LMX and zinc(II) ion (Zn2+) was found to be 2:1, respectively, and confirmed by Job's plot method. Furthermore, it extended to the analysis of LMX in the spiked plasma of humans with percentage recovery (98.70 ± 0.97 to 100.30 ± 1.69%,n = 3).
Determination of organophosphate flame retardant tris(2‐chloroethyl)phosphine based on the luminol–H2O2 chemiluminescence system
Authors: Zhu Huanhuan , Xie Yonghong , Zou Xue , Wang Tengfei , Gong Zhengjun 
Published: November 2021

AbstractOrganophosphorus flame retardants (OPFRs) are new types of environmental pollutants, therefore the rapid and sensitive detection of OPFRs is a very important objective. A new experimental phenomenon was found in which tris(2‐chloroethyl)phosphine (TCEP), a type of OPFR, could effectively enhance the signal of the luminol–H2O2 chemiluminescence (CL) system. Combined with the controllability of flow injection analysis, a rapid, stable, and sensitive CL method was established. The CL intensity responded linearly to the concentration of TCEP in the range 0.5–100 μg/L (R2 = 0.999) with a low detection limit of 33 ng/L. Relative standard deviation (RSD) was 2.2% (n = 7, c = 100 μg/L). Water samples were labelled and recycled with RSDs of 1.1–5.7% and recoveries of 88.7–116.1%. Based on these results, this study established a new CL detection method for the environmental pollutant TCEP.
Emotional processing of sadness and disgust evoked by disaster scenes
Authors: Wang Xin , Jin Jingna , Liu Wenbo , Liu Zhipeng , Yin Tao 
Published: November 2021

AbstractObjectiveDisaster scenes produce long‐term negative feelings in those who experience them. Previous studies have focused on mitigating disaster impacts through directed forgetting or conscious suppression. However, the initial emotional processing of disaster scenes is not fully understood, hindering the comprehension of long‐term disaster impacts. This study aims to investigate how pictures of disaster scenes evoking disgust and sadness are processed via cortical electrical activity.MethodsPictures of grief and mutilation from disasters were used to evoke sadness and disgust, respectively. Event‐related desynchronization (ERD) and event‐related potentials (ERPs) were used to quantify the intensity and time‐course of emotional processing.ResultsThe information processing of emotional pictures was stronger than neutral pictures, represented by greater declines of alpha ERD. In the posterior ERP components of N1 and EPN, amplitudes for emotional pictures were larger than those for neutral pictures, which reflected the effects of arousal on visual perception. In the anterior ERP components of P2, P3, and LPP, disgust pictures showed higher attention attraction and enhanced encoding memory processing.ConclusionsDisgust disaster scenarios induced long‐term prominent LPP, which may correspond with the long‐term negative impacts of the disaster.
Using Parental Attachment in Family Court Proceedings: DMM Theory about the Adult Attachment Interview
Authors: Crittenden Patricia M. , Landini Andrea , Spieker Susan J. , Grey Ben 
Published: November 2021

Parental attachment refers to the protective and comforting role of parents toward their children. This role has been violated in cases of maltreatment. Understanding the attachment of parents who endanger their children can illuminate the psychological processes behind the harmful behaviour of parents. This paper proposes assessing parental attachment with the Adult Attachment Interview (AAI), classified according to the Dynamic‐Maturational Model of Attachment and Adaptation (DMM). We discuss meta‐analyses of the ‘gold standard' Berkeley method for extracting AAI information. AAIs of maltreating adults classified with the Berkeley method have an improbably high rate of secure attachment, making it inadequate for family forensic applications. In contrast, the DMM uses a theory‐based, developmental expansion of Ainsworth's infant categories to describe a wide array of dimensionally related protective strategies for coping with danger across the lifespan. DMM‐AAIs, classified by trained, reliable professionals and integrated with data from other sources to create an individualised family formulation, meet evidentiary requirements. We call for a programme of research of court‐involved families comparing DMM‐AAI formulations to outcomes of usual methods for determining family services.‘This paper proposes assessing parental attachment with the Adult Attachment Interview, classified according to the Dynamic‐Maturational Model of Attachment and Adaptation (DMM)’Key Practitioner Messages

Childhood exposure to danger is crucial to understanding maltreating parents' behaviour.
Adult Attachment Interviews, classified with the DMM method by authorised experts, can reveal motivating psychological processes that are not apparent in parental behaviour.
Information about parents' attachment, together with other information, can help child protection personnel gauge the risk that parents pose to their children and organise personalised treatment plans to reduce that risk.
ABCD Berkeley AAI classifications are not suitable for forensic use.
Sudden bilateral hearing loss after vestibular‐evoked myogenic potentials
Authors: Asakura Shinnosuke , Kamogashira Teru 
Published: November 2021

AbstractThis case report presents bilateral hearing loss after vestibular‐evoked myogenic potential (VEMP) testing. The loud acoustic stimulus used in VEMP testing can cause noise‐induced hearing loss in some cases with high sensitivity to noise exposure or by exceeding individual cochlear safety thresholds.
Subacute thyroiditis after SARS‐CoV‐2 infection
Authors: Semikov Vasiliy I. , Aghayan Davit L. , Shulutko Alexander M. , Khorobrykh Tatyana V. , Aleksandrov Yuriy K. , Mansurova Gaukhar T. , Kazaryan Airazat M. 
Published: November 2021

AbstractViral infections are considered as etiologic factors of subacute thyroiditis. The true incidence of subacute thyroiditis, caused by SARS‐CoV‐2 infection, is probably considerable since it is often masked by more dramatic affection of the respiratory system. This report presents two female patients who developed de Quervain's thyroiditis after COVID‐19 disease.
Rehabilitation of a deep bite patient with worn dentition using minimally invasive approach: A 3‐year follow‐up
Authors: Hasanzade Mahya , Ghodsi Safoura , Yaghoobi Negin 
Published: November 2021

AbstractFull mouth rehabilitation of severely worn teeth represents a challenging situation for dental clinicians. This case report describes the minimally invasive interdisciplinary approach for treatment of severely worn dentition with a loss of vertical dimension of occlusion. After 3 years of follow‐up, no complication was observed.
Coordination‐Induced Band Gap Reduction in a Metal–Organic Framework
Authors: Peeples Craig A. , Çetinkaya Ahmet , Tholen Patrik , Schmitt Franz‐Josef , Zorlu Yunus , Bin Yu Kai , Yazaydin Ozgur , Beckmann Jens , Hanna Gabriel , Yücesan Gündoğ 
Published: November 2021

AbstractHerein, we report on the synthesis of a microporous, three‐dimensional phosphonate metal–organic framework (MOF) with the composition Cu3(H5‐MTPPA)2 ⋅ 2 NMP (H8‐MTPPA=methane tetra‐p‐phenylphosphonic acid and NMP=N‐methyl‐2‐pyrrolidone). This MOF, termed TUB1, has a unique one‐dimensional inorganic building unit composed of square planar and distorted trigonal bipyramidal copper atoms. It possesses a (calculated) BET surface area of 766.2 m2/g after removal of the solvents from the voids. The Tauc plot for TUB1 yields indirect and direct band gaps of 2.4 eV and 2.7 eV, respectively. DFT calculations reveal the existence of two spin‐dependent gaps of 2.60 eV and 0.48 eV for the alpha and beta spins, respectively, with the lowest unoccupied crystal orbital for both gaps predominantly residing on the square planar copper atoms. The projected density of states suggests that the presence of the square planar copper atoms reduces the overall band gap of TUB1, as the beta‐gap for the trigonal bipyramidal copper atoms is 3.72 eV.
Angucycline and angucyclinone derivatives from the marine‐derived Streptomyces sp.
Authors: Liu Ming , Yang Ying‐Jie , Gong Ge , Li Zhi , Zhang Lu , Guo Lin , Xu Bo , Zhang Shu‐Min , Xie Ze‐Ping 
Published: November 2021

AbstractAtramycin C (1), one new angucycline bearing an O‐6 rhamnose side chain, along with one new highly hydroxylated angucyclinone emycin G (2), and ten known analogs (3–12) were isolated from the marine‐derived Streptomyces sp. strain BHB‐032. Their structures were assigned by spectroscopic analysis and comparison with literature data. The absolute configuration of the sugar unit of 1 was assigned as 6‐O‐α‐l‐rhamnoside, based on the analysis of the coupling constants and chemical derivatization, whereas the absolute configuration of 2 was determined by X‐ray diffraction. Furthermore, the stereochemistry of saccharothrixin A (3) and SNA‐8073‐A (4) was established unequivocally by X‐ray crystallography for the first time. Compounds 1 and 2 exhibited moderate antimicrobial activities with minimum inhibitory concentration (MIC) values ranging from 16 to 64 μg/ml.
Impact of cyclofructan derivatives as efficient chiral selector in chiral analysis: An overview
Authors: Aboul‐Enein Hassan Y. , Kannappan Valliappan , Kanthiah Selvakumar 
Published: November 2021

AbstractThe development of chiral selectors for the separation and analysis of chiral molecules has been an evolving process happening over three decades, since the introduction of the first chiral stationary phase (CSP) in 1938. The main impetus for designing new chiral selectors is to get to most promising one which has a broad chiral recognition property, separation capability for a wide range of chiral analytes, and the cost‐effective CSP, which is also a major concern. Today, we have more than 100 commercially available CSPs, and these are prepared by coating or immobilizing the classical chiral selectors on to the chromatographic support, normally, silica gel. The purpose of this review is to look at progress and the impact of cyclofructan derivatives, a novel chiral selector introduced recently, for performing chiral analysis.
On stress in abdominal aortic aneurysm: Linear versus non‐linear analysis and aneurysm rupture risk
Authors: Wittek Adam , Alkhatib Farah , Vitásek Radek , Polzer Stanislav , Miller Karol 
Published: November 2021

AbstractWe present comprehensive biomechanical analyses of abdominal aortic aneurysms (AAA) for 43 patients. We compare stress magnitudes and stress distributions within arterial walls of abdominal aortic aneurysms (AAA) obtained using two simulation and modelling methods: (a) Fully automated and computationally very efficient linear method embedded in the software platform Biomechanics based Prediction of Aneurysm Rupture Risk (BioPARR), freely available from https://bioparr.mech.uwa.edu.au/; (b) More complex and much more computationally demanding Non‐Linear Iterative Stress Analysis (Non‐LISA) that uses a non‐linear inverse iterative approach and strongly non‐linear material model. Both methods predicted localised high stress zones with over 90% of AAA model volume fraction subjected to stress below 20% of the 99th percentile maximum principal stress. However, for the non‐linear iterative method, the peak maximum principal stress (and 99th percentile maximum principal stress) was higher and the stress magnitude in the low stress area lower than for the automated linear method embedded in BioPARR. Differences between the stress distributions obtained using the two methods tended to be particularly pronounced in the areas where the AAA curvature was large. Performance of the selected characteristic features of the stress fields (we used 99th percentile maximum principal stress) obtained using BioPARR and Non‐LISA in distinguishing between the AAAs that would rupture and remain intact was for practical purposes the same for both methods.
UAV‐derived imagery for vegetation structure estimation in rangelands: validation and application
Authors: Zhang Junzhe , Okin Gregory S. , Zhou Bo , Karl Jason W. 
Published: November 2021

AbstractThe purpose of this study is to develop an unmanned aerial vehicle (UAV)‐based remote sensing method that can estimate vegetation indicators in arid and semiarid rangelands. This method was used to quantify six rangeland indicators (canopy size, bare soil gap size, plant height, scaled height, vegetation cover, and bare soil cover) in a semiarid grass–shrub ecosystem. The drone‐based estimates were validated with field measurements by using the standard transect methods (gap intercept, drop disk, and line‐point intercept methods) in the spring and summer of 2017. The drone‐based estimates showed strong agreements with in situ measurements in cases where deciduous vegetation (mesquite) had leaves with R2 for bare soil gap size and vegetation height of 0.97 and 0.89 in the summer, respectively. The RMSE of bare soil gap size and vegetation height are 0.2 m and 6.72 cm in the summer, respectively. Based on these results, we found that drone‐based remote sensing proved to be an efficient and highly accurate method that serves as a complement to field measurements for rangeland indicator estimation. We discussed the possible applications of drone‐based products on arid and semiarid rangelands: the spatially explicit input of an ecological model, to detect and characterize non‐stationarity, and to detect landscape anisotropy.