bluuebunny/crossref_metadata_2025_split huggingface dataset:
A self‐determination theory perspective on how autonomy‐supportive and chaotic leadership relate to volunteers' need‐based experiences and turnover intentions: A variable‐centered and person‐centered approach
Authors: De Clerck Tom , Haerens Leen , Devos Geert , Willem Annick 
Published: October 2023

AbstractMany nonprofit and voluntary organizations rely primarily on volunteers to deliver their services. However, they often struggle to retain their volunteers. Leadership within these organizations plays a pivotal role in addressing this issue. Therefore, this study adopted self‐determination theory as a guiding framework to investigate the role of leaders in volunteers' turnover intentions (i.e., intentions to leave the organization). Specifically, in a sample of 355 Flemish sports club volunteers, this study examined the associations between volunteers' perceptions of their leaders' autonomy‐supportive and chaotic style and their turnover intentions. Furthermore, it studied whether experiences of need satisfaction and need frustration could explain these relations. Structural equation modeling pointed toward the unique roles of a chaotic leadership style and experiences of need frustration in turnover intentions. Cluster analyses further confirmed that those volunteers who perceived their leaders as moderately to highly chaotic tend to report greater levels of need frustration and heightened turnover intentions. In addition, these analyses underscored the potential challenge faced by nonprofit leaders as they strive to maintain an autonomy‐supportive style without inadvertently slipping into chaotic behavior. This study lays the foundation for a new research agenda which prioritizes a systematic exploration of the relation between maladaptive leadership styles and dark side variables such as experiences of need frustration and turnover.
Using Geographic Information Systems in health disparities research: Access to care considerations
Authors: Stansberry Tracey T. , Tran Liem , Myers Carole 
Published: October 2023

AbstractIn health disparities research, Geographic Information Systems (GIS) provide nurse researchers with powerful tools to incorporate spatial factors, such as access to care and related attributes like socioeconomic and environmental characteristics, into their studies. This article educates nurse scientists about GIS‐based research benefits and considerations (focusing on access‐to‐care factors) and the influence of various access‐to‐care metrics on research outcomes. We present an overview of GIS in nursing and health disparities research, along with findings from our 2022 study examining access to care's relationship with county‐level mortality rates in Tennessee, especially in areas where rural hospitals closed between 2010 and 2019. We highlight three distinct access‐to‐care measures (Euclidean distances and road network‐based travel times based on county and census tract centroids), showcasing how different calculations impact our modeling results. Our results underscore the importance of understanding the choice of access‐to‐care metrics in GIS‐based research to draw valid conclusions.
Parametric optimization of poly(ether sulfone) electrospun membrane for effective oil/water separation
Authors: Askari Abdullah , Nabavi Seyed Reza , Omrani Abdollah 
Published: October 2023

AbstractElectrospinning is a technique that can produce cost‐efficient, large output, very permeable membranes with high surface‐to‐mass ratio, and be used for many different applications. In this research, poly(ether sulfone) (PES) electrospun fibers were prepared for potential application in oil/water separation. A comprehensive investigation was carried out to study how the performance of the electrospun fibers is influenced by various operating conditions and the composition of the solution. The electrospun mats were evaluated by SEM, tensile test, TGA, and water contact angle techniques. The morphology of the fabricated membranes has been altered due to changes in the process and solution parameters. This alteration is evident when comparing mats that have been solely electrospray to those with the highest density of junctions between the nanofibers. Due to the utilization of a combination of solvents, namely N,N‐dimethylformamide, and N‐methyl‐pyrrolidinone (DMF/NMP), the mechanical properties of the fabricated membranes were enhanced. With this trick, a membrane with a tensile strength of 8.9 MPa was obtained, which had a relatively good performance in oil/water separation. This enhancement occurs through the improved fusion of inter‐fiber junction points, which is facilitated by the presence of NMP, a high vapor pressure component, in the solvent mixture. Thermal analysis showed suitable thermal stability for a model of prepared membranes. The prepared PES membrane in optimum electrospinning condition, was used in the oil/water separation process and was found to be 80% efficient. Oil/water separation experiments for PES showed its bright future in the treatment of oil/water wastewater.Highlights
The effect of solution and process parameters was studied on PES electrospinning.
The tensile strength of the membrane was improved by using DMF/NMP solvent.
The PES membrane showed its bright future in the oil/water separation.
A systematic review of clozapine‐associated inflammation and related monitoring
Authors: Leung Jonathan G. , Zhang Lusi , Markota Matej , Ellingrod Vicki L. , Gerberi Danielle J. , Bishop Jeffrey R. 
Published: October 2023

AbstractClozapine is an effective antipsychotic medication used for treatment‐resistant schizophrenia. However, it is underutilized due to rigorous hematologic monitoring requirements and many adverse drug reactions. Publications have highlighted the occurrence of inflammatory reactions, some life‐threatening, particularly during the early stages of clozapine treatment. Although guidelines have suggested monitoring for inflammatory processes during clozapine initiation, screening in clinical practice is not universal. This systematic review aimed to investigate the relationship between clozapine and inflammation and assess the importance of monitoring for inflammatory reactions. A comprehensive literature search yielded 6915 unique publication records after removal of duplicates. After a rigorous screening process, 75 publications were included in the review, which focused on three main aspects: (i) the impact of clozapine on inflammatory markers, (ii) monitoring cardiac and other organ function during clozapine‐associated inflammatory processes, and (iii) monitoring non‐specific signs and symptoms of inflammation. Elevated levels of C‐reactive protein (CRP) and several proinflammatory cytokines have been observed in association with clozapine treatment. However, the practicality of measuring specific markers in clinical practice remains uncertain. Current evidence supports monitoring CRP levels during the first 4–8 weeks of treatment, especially to facilitate myocarditis screening. Further research is needed to establish clinically relevant CRP thresholds for intervention. The implementation of monitoring protocols during the early phase of clozapine treatment may mitigate adverse reactions and allow for continued use of clozapine. Future studies should also explore the association between clozapine‐associated inflammation and pneumonia, as well as investigate the impact of inflammation on clozapine metabolism to predict the need for dose adjustment. These endeavors may facilitate the development and implementation of evidence‐based guidelines for the monitoring of clozapine‐associated inflammation.
Computational investigation of the structures, properties, and host‐guest chemistry of prism[n]arenes
Authors: Xie Ju , Xi Ziqing , Yang Yanwu , Zhang Xuecheng , Yang Zhenshan , He Maoxia 
Published: October 2023

AbstractThe discovery of new and functional macrocyclic host compounds is an important part of supramolecular chemistry. Since the experimental synthesis, prism[n]arenes (Pr[n]As), a class of naphthol‐based macrocyclic arenes, have attracted much attention. In this work, from the perspective of theoretical calculation and research, Pr[n]As (n = 4 ~ 7) were studied by density functional theory (DFT) calculations and molecular dynamics (MD) simulations. The prismatic configuration isomers, electronic structures, absorption spectra, and host‐guest chemistry were discussed thoroughly. DFT calculation results showed that 1,5‐, 3,7‐, and “hybrid” 15,37‐Pr[n]As were the most representative configurations with the rigid prismatic molecular skeleton. Based on time‐dependent density functional theory (TD‐DFT), the absorption spectra of Pr[n]As were all in the range of ultraviolet light which were mainly attributed to π‐π* transitions. The molecular cavities of Pr[n]As were electron‐rich and capable of accommodating a variety of cations or electron‐conjugated molecules. MD simulation results showed that a Pr[n]A molecule was able to capture the guest molecule into its molecular cavity and maintain in the state of equilibrium in solvents.
Quantum Combinational Logics and their Realizations with Circuits
Authors: Tong Xiaoxue , Chen Tian , Pan Naiqiao , Zhang Xiangdong 
Published: October 2023

AbstractClassical combinational logic circuits (CCLCs) are widely used in various fields. Corresponding to the CCLCs, here schemes are given for some quantum combinational logic circuits (QCLCs) based on the quantum NAND tree. Three typical circuits, adder, comparator, and seven‐segment display decoder, are discussed in detail as examples. All the designs of the schemes are based on the quantum random walk theory. Furthermore, these QCLCs are mapped onto the classical circuit networks and design new types of CCLCs, and take advantage of the fact that there is a good correspondence between the voltage in the circuit satisfying Kirchhoff's law and the system wave function satisfying the Schrodinger equation. These CCLCs that are designed have exponential speedup functions compared with conventional ones, which have been demonstrated experimentally. Because classical circuit networks possess good scalability and stability, the realization of QCLCs on classical circuits is expected to have potential applications for information processing in the era of big data.
Soil washing for removal of per‐ and polyfluoroalkyl substances from investigation‐derived waste
Authors: Miceli Justin , Varghese Juby R. , Holsen Thomas M. , Crimi Michelle 
Published: October 2023

AbstractThe accumulation of significant amounts of investigation‐derived waste (IDW) from investigations of per‐ and polyfluoroalkyl substances (PFAS) contamination at active and former military installations has generated the need for viable disposal methods, which are currently limited to incineration or landfilling. Soil washing has been proposed as a more environmentally friendly alternative method to remove PFAS sorbed to IDW media, potentially allowing more cost‐effective disposal of the media as nonhazardous waste. This systematic investigation of IDW washing explored the effect of water‐, methanol‐, and salt‐based solutions, which are typically used for ion exchange (IX) resin regeneration. These solutions were tested for PFAS removal using four different field IDW solids with different pHs, total organic carbon content, and anion exchange capacity. In long washes extending to a week, distilled water was found to be effective in the removal of short‐chain PFASs (perfluorcarboxylic acids with fewer than seven fluorinated carbon atoms and perfluorosulfonic acids with fewer than six fluorinated carbon atoms) and some long‐chain PFASs including perfluorooctanoic acid, but not perfluorooctane sulfonic acid (PFOS). PFOS was only removed using water:methanol solutions with salt. Optimized 30‐min washes containing water:methanol and salt effectively removed precursors, and short‐ and long‐chain PFAS. Kinetic, soil extraction, and leaching experiments revealed that PFAS can be removed within a matter of minutes, with greater than 70% PFAS removal on the first wash; however, longer‐chain PFASs required up to three washes to be removed. Important IDW wash solution relationships influencing PFAS desorption are discussed and PFOS is proposed as an indicator species for IDW washing effectiveness. Results demonstrate that adapting components of IX regeneration solutions to IDW wash solutions facilitates an alternative means to separate PFAS contaminants from IDW, advancing PFAS remediation efforts.
The upper tail problem for induced 4‐cycles in sparse random graphs
Authors: Cohen Antonir Asaf 
Published: October 2023

AbstractBuilding on the techniques from the breakthrough paper of Harel, Mousset and Samotij, which solved the upper tail problem for cliques, we compute the asymptotics of the upper tail for the number of induced copies of the 4‐cycle in the binomial random graph . We observe a new phenomenon in the theory of large deviations of subgraph counts. This phenomenon is that, in a certain (large) range of , the upper tail of the induced 4‐cycle does not admit a naive mean‐field approximation.
1,3‐Oxazine as a Promising Scaffold for the Development of Biologically Active Lead Molecules
Authors: Gupta Nidhi , Saini Vipin , Basavarajaiah S. M. , Dar Mohammad Ovais , Das Rina , Dahiya Randhir Singh 
Published: October 2023

AbstractHeterocyclic compounds form an important part of wide range of biologically active molecules. The heteroatom provides them specificity for various receptors. 1,3‐oxazine has been considered as a privileged scaffold in many medicinal chemistry applications. Compounds having 1,3‐oxazine moiety exhibit broad range of biological applications such as anticancer, antimicrobial, anti‐inflammatory, antiplatelet, antitubercular and alpha‐glucosidase inhibition activities. In this review, we consolidate the recent developments in the synthesis and biological activities of 1,3‐oxazine containing compounds. Also, the structure activity relationship (SAR) studies of different derivatives exhibiting several biological activities are summarized. Database such as Science direct, Pubmed and Google scholar were searched using keywords ‘1,3‐Oxazine’, ‘synthesis’, ‘derivatives’, and ‘biological activities’. The review would provide a lead for the development of competent candidates with 1,3‐oxazine moiety having broad range of applications in the treatment of several human disorders.
Study on Magnetron Sputtered Nb‐Doped ZnO Thin Films switching properties for RRAM Applications
Authors: Chawla Amit K. , Pandey Ratnesh , Rao Akula Umamaheswara , Kharb Archana Singh , Chanana Avaani , Mir Kifayat H. , Kumar Pramod , Garg Tarun , Chawla Vipin , Jain Ravish , Pant Charu , Kumar Sanjeev 
Published: October 2023

AbstractResistive switching characteristics of ZnO‐based nanomaterials make them useful candidates for applications in resistive random access memory (RRAM). In the present work, Nb‐doped ZnO thin films prepared using RF sputtering with varying doping concentrations were studied using XRD, UV‐Vis spectroscopy, Field Emission Scanning Electron Microscopy (FESEM), Energy Dispersive X‐ray Spectroscopy (EDS), I‐V, XPS and AFM measurements to investigate the structural, optical, electrical properties and roughness of the films. The XRD analysis revealed a shift in the (002) peak corresponding to hexagonal wurtzite structure, towards lower angles with increasing doping concentration, indicating a doping‐induced modification of crystal structure. The UV‐Vis spectroscopy showed an increase in the band gap energy with increasing doping concentration. The electrical conductivity of the films was found to increase with doping concentration, as determined by I‐V measurements. The XPS analysis confirmed the presence of Nb in the doped films and provided information on the chemical states of the elements. Overall, the results suggest that Nb doping can significantly modify the structural properties of ZnO thin films which alters the electrical properties to match the requirements for potential applications in memory devices.
Monolayer Borophene Formation on Cu(111) Surface Triggered by ⟨11¯0⟩$\langle {1\bar{1}0} \rangle $ Step Edge
Authors: Li Hao , Yang Jiangang , Ma Yaping , Liu Guowei , Xu Xin , Huo Zhe , Chen Junbo , Li Jing , Zhang Weifeng , Wang Kedong , Chen Lan , Xiao Xudong 
Published: October 2023

AbstractBorophene, a promising material with potential applications in electronics, energy storage, and sensors, is successfully grown as a monolayer on Ag(111), Cu(111), and Au(111) surfaces using molecular beam epitaxy. The growth of two‐dimensional borophene on Ag(111) and Au(111) is proposed to occur via surface adsorption and boron segregation, respectively. However, the growth mode of borophene on Cu(111) remains unclear. To elucidate this, scanning tunneling microscopy in conjunction with theoretical calculations is used to study the phase transformation of boron nanostructures under post‐annealing treatments. Results show that by elevating the substrate temperature, boron nanostructures undergo an evolution from amorphous boron to striped‐phase borophene (η = 1/6) adhering to the Cu step edge, and finally to irregularly shaped β‐type borophene (η = 5/36) either on the substrate surface or embedded in the topmost Cu layer. dI/dV spectra recorded near the borophene/Cu lateral interfaces indicate that the striped‐phase borophene is a metastable phase, requiring more buckling and electron transfer to stabilize the crystal structure. These findings offer not only an in‐depth comprehension of the β‐type borophene formation on Cu(111), but also hold potential for enabling borophene synthesis on weakly‐binding semiconducting or insulating substrates with 1D active defects.
Enhanced Solar Fuel Production over In2O3@Co2VO4 Hierarchical Nanofibers with S‐Scheme Charge Separation Mechanism
Authors: Deng Xianyu , Wen Zhenhai , Li Xuanhua , Macyk Wojciech , Yu Jiaguo , Xu Feiyan 
Published: October 2023

AbstractThe conversion of CO2 into valuable solar fuels via photocatalysis is a promising strategy for addressing energy shortages and environmental crises. Here, novel In2O3@Co2VO4 hierarchical heterostructures are fabricated by in situ growing Co2VO4 nanorods onto In2O3 nanofibers. First‐principle calculations and X‐ray photoelectron spectroscopy (XPS) measurements reveal the electron transfer between In2O3 and Co2VO4 driven by the difference in work functions, thus creating an interfacial electric field and bending the bands at the interfaces. In this case, the photogenerated electrons in In2O3 transport to Co2VO4 and recombine with its holes, indicating the formation of In2O3@Co2VO4 S‐scheme heterojunctions and resulting in effective separation of charge carriers, as confirmed by in situ irradiation XPS. The unique S‐scheme mechanism, along with the enhanced optical absorption and the lower Gibbs free energy change for the production of *CHO, significantly contributes to the efficient CO2 photoreduction into CO and CH4 in the absence of any molecule cocatalyst or scavenger. Density functional theory simulation and in situ diffuse reflectance infrared Fourier transform spectroscopy are employed to elucidate the reaction mechanism in detail.
Ammonium Folate‐Reinforced Self‐Assembly of Gelatin into N/B/O‐Enriched Hierarchical Porous Carbons with Loosely Layered Structure for Anti‐Freezing Flexible Supercapacitors
Authors: Yu Shiyu , Ye Yong , Yang Mei , Liu Yijiang , Yang Duanguang , Li Huaming , Liu Bei 
Published: October 2023

AbstractHeteroatom‐doped layered porous carbons are recently regarded as promising electrode materials for high energy density supercapacitors because they can integrate high‐level heteroatom‐doping and layered nano‐space together to provide huge pseudocapacitive reaction areas and accelerate ion diffusion/transport. Herein, an innovative strategy is reported to prepare N/B/O co‐doped layered porous carbons via ammonium folate‐reinforced self‐assembly of gelatin and boric acid followed by carbonization. Biomass‐derived ammonium folate not only acts as an N‐riched precursor but also can fasten in the process of self‐assembly via boric acid‐assisted electrostatic adsorption and hydrogen bonding to promote the formation of stable 3D cross‐linked networks, resulting in the obtained N/B/O co‐doped layered porous carbon (BNLC‐850) has a large specific surface area (1822 m2 g−1), hierarchical porous structure and super‐high heteroatom contents (N, 12.65; B, 5.67; and O, 13.84 at.%). The BNLC‐850 achieves an ultrahigh specific capacitance of 525.2 F g−1 in the alkaline electrolyte at 0.5 A g−1, meanwhile, DFT calculations reveal that the high‐level N/B/O‐doping can effectively weaken the adsorption barriers of K‐ions. Moreover, the BNLC‐850 assembles anti‐freezing flexible solid‐state supercapacitors in MPEI‐TF‐IL gel polymer electrolyte deliver a high energy density of 41.2 Wh kg−1, excellent flexibility, and long cycle‐life at −20 °C.
Conjugated Molecules Based Multi‐Component Artificial Photosynthesis System for Producing Multi‐Objective Products
Authors: Zhu Chuanwei , Gao Zhiqiang , Yu Wen , Xia Shengpeng , Chen Weijian , Song Gang , Huang Yiming , Lv Fengting , Bai Haotian , Wang Shu 
Published: October 2023

AbstractThe development of artificial photosynthesis systems that mimics natural photosynthesis can help address the issue of energy scarcity by efficiently utilizing solar energy. Here, it presents liposomes‐based artificial photosynthetic nanocapsules (PSNC) integrating photocatalytic, chemical catalytic, and biocatalytic systems through one‐pot method. The PSNC contains 5,10,15,20‐tetra(4‐pyridyl) cobalt‐porphyrin, tridipyridyl‐ruthenium nitrate, oligo‐pphenyl‐ethylene‐rhodium complex, and creatine kinase, efficiently generating oxygen, nicotinamide adenine dinucleotide (NADH), and adenosine triphosphate with remarkable enhancements of 231%, 30%, and 86%, compared with that of molecules mixing in aqueous solution. Additionally, the versatile PSNC enables simulation of light‐independent reactions, achieving a controllable output of various target products. The regenerated NADH within PSNC further facilitates alcohol dehydrogenase, yielding methanol with a notable efficiency improvement of 37%. This work introduces a promising platform for sustainable solar energy conversion and the simultaneous synthesis of multiple valuable products in an ingenious and straightforward way.
Regulating Anionic Redox via Mg Substitution in Mn‐Rich Layered Oxide Cathodes Enabling High Electrochemical Stability for Sodium‐Ion Batteries
Authors: Thanwisai Panya , Vanaphuti Panawan , Yao Zeyi , Hou Jiahui , Meng Zifei , Ma Xiaotu , Guo Hua , Gao Guanhui , Yang Zhenzhen , Wang Yan 
Published: October 2023

AbstractWith the limited resources and high cost of lithium‐ion batteries (LIBs) and the ever‐increasing market demands, sodium‐ion batteries (SIBs) gain much interest due to their economical sustainability, and similar chemistry and manufacturing processes to LIBs. As cathodes play a vital role in determining the energy density of SIBs, Mn‐based layered oxides are promising cathodes due to their low cost, environmental friendliness, and high theoretical capacity. However, the main challenge is structural instability upon cycling at high voltage. Herein, Mg is introduced into the P2‐type Na0.62Ni0.25Mn0.75O2 cathode to enhance electrochemical stability. By combining electrochemical testing and material characterizations, it is found that substituting 10 mol% Mg can effectively alleviate the P2–O2 phase transition, Jahn‐Teller distortion, and irreversible oxygen redox. Moreover, structural integrity is greatly improved. These lead to enhanced electrochemical performances. With the optimized sample, a remarkable capacity retention of 92% in the half cell after 100 cycles and 95% in the full cell after 170 cycles can be achieved. Altogether, this work provides an alternative way to stabilize P2‐type Mn‐based layer oxide cathodes, which in turn, put forward the development of this material for the next‐generation SIBs.