bluuebunny/crossref_metadata_2025_split huggingface dataset:
Supercapacitor Degradation: Understanding Mechanisms of Cycling‐Induced Deterioration and Failure of a Pseudocapacitor
Authors: Mazloomian Katrina , Lancaster Hector J. , Howard Christopher A. , Shearing Paul R. , Miller Thomas S. 
Published: June 2023

AbstractOwing to a reputation for long lifetimes and excellent cycle stability, degradation in supercapacitors has largely been overlooked. In this work, we demonstrate that significant degradation in some commercial supercapacitors can in fact occur early in their life, leading to a rapid loss in capacitance, especially when utilized in full voltage range, high charge‐discharge frequency applications. By using a commercial 300 F lithium‐ion pseudocapacitor rated for 100,000 charge/discharge cycles as an example system, it is shown that a ∼96 % loss in capacitance over the first ∼2000 cycles is caused by significant structural and chemical change in the cathode active material (LiMn2O4, LMO). Multi‐scale in‐situ and ex‐situ characterization, using a combination of X‐ray computed tomography, Raman spectroscopy and X‐ray photoelectron spectroscopy, shows that while minimal material loss (∼5.5 %), attributed to the dissolution of Mn2+, is observed, the primary mode of degradation is due to manganese charge disproportionation (Mn3+→Mn4++Mn2+) and its physical consequences (i. e. microstrain formation, particle fragmentation, loss of conductivity etc.). In contrast to prior understanding of LMO material degradation in battery systems, negligible contributions from cubic‐to‐tetragonal phase transitions are observed. Hence, as supercapacitors are becoming more widely utilized in real‐world applications, this work demonstrates that it is vital to understand the mechanisms by which this family of devices change during their lifetimes, not just for lithium‐ion pseudocapacitors, but for a wide range of commercial chemistries.
Reinforcement schedule thinning following functional communication training: A systematic review
Authors: Davis Tonya N. , Akers Jessica S. , Exline Emily , Avery Suzannah K. , Wicker MacKenzie 
Published: June 2023

AbstractFunctional communication training (FCT) is a highly effective intervention to reduce challenging behavior. However, continuous reinforcement of the functional communicative response typically used during FCT cannot be maintained in natural settings. Reinforcement schedule thinning addresses this drawback. In order to better inform practice and future research, we conducted a systematic review of all peer‐reviewed studies published between the years 1985 and 2022 that implemented schedule thinning following FCT. We identified 82 articles with 296 participants and 401 applications of schedule thinning. We summarized each application according to characteristics of the participant, FCT, and schedule thinning procedure. We identified nine unique schedule thinning procedures. The four most prevalent were multiple schedules, chained schedules, delay‐to‐reinforcement, and response restriction with a correlation between the function of challenging behavior and the selected schedule thinning approach. Notably, there was great procedural variability across each procedure. Very few studies were conducted in natural settings or involved natural change agents in selecting the terminal schedule of reinforcement or as schedule thinning implementers. Although there is ample evidence supporting the efficacy of schedule thinning after FCT, more research is needed to determine the most effective procedures necessary to ensure that the benefits of FCT can be maintained via schedule thinning in natural settings.
Mechanofluorochromic behaviours of functionalized carbazole‐based difluoroboron compounds with different aryl substituents moieties
Authors: Dou Sihu , Xu Maocai , Tian Jiazhuang , Zhang Bangcui , Gao Shuling , Yang Yanhua , Wang Baoling , Li Xiangguang , Gou Gaozhang 
Published: June 2023

AbstractTo better understand the relationship between molecular structure and mechanofluorochromic characteristics, three carbazole‐based N^O‐chelated difluoroboron compounds (Cz‐S‐BF2, Cz‐PhNp‐S‐BF2, and Cz‐BNp‐S‐BF2) with different aryl substituents moieties were designed and synthesized. The mechanofluorochromic behaviours of Cz‐S‐BF2 (luminescence from bluish‐green to yellowish‐green, emission from 504 to 535 nm) without aryl substitution and Cz‐PhNp‐S‐BF2 (luminescence from green and yellow, emission from 521 to 557 nm) with a phenyl‐naphthalene group underwent reversible conversion using the grinding–fuming process. For Cz‐BNp‐S‐BF2 this was not apparent due to the well coplanarity of the binaphthalene moiety. Mechanofluorochromic properties were demonstrated through XRD patterns measurement. We envisage that this study will provide a practicable reference to acquire organic molecules with mechanofluorochromic characteristics.
Strategy for implementing blockchain technology in accounting: Perspectives of stakeholders in a developing nation
Authors: Chowdhury Emon Kalyan , Khan Iffat Ishrat , Dhar Bablu Kumar 
Published: June 2023

AbstractThis study applies the Unified Theory of Acceptance and Use of Technology model to explore the factors that potential users may prioritize when intending to use blockchain technology in accounting. Primary data was collected through a structured questionnaire from 217 respondents. Both factor analysis and regression models were applied to achieve the study's purposes. The findings indicate that respondents consider privacy, usefulness, cost, and facilitation issues when intending to use blockchain technology in accounting to enhance data reliability and reduce the workload of auditors. Bangladesh, a developing country, has immense opportunities to ensure a transparent society by applying blockchain technology in accounting, with cooperation from stakeholders such as firms, the government, regulatory authorities, and users of accounting information. It is expected that the findings of this study will help the concerned authorities to formulate appropriate strategies for the implementation of blockchain technology in the field of accounting in Bangladesh.
Strategic orientation, risk‐taking, corporate life cycle and environmental, social and governance (ESG) practices: Evidence from ASEAN countries
Authors: Setiarini Asri , Gani Lindawati , Diyanty Vera , Adhariani Desi 
Published: June 2023

AbstractEnvironmental, social, and governance (ESG) considerations have become increasingly important in the business world. Companies are expected to operate responsibly and sustainably, and stakeholders are demanding greater transparency and accountability. Our research aims to examine the influence of determinants on ESG practices in ASEAN countries (Indonesia, Malaysia, Singapore, the Philippines, Thailand, and Vietnam), as measured by ESG performance on the Refinitiv Eikon. Although there have been many studies discussing ESG, only a few have discussed this relationship by involving strategic orientation, risk taking and corporate life cycle simultaneously. We use panel regression based on a sample of 2373 observations from 2004 to 2022. The results show that the prospector strategy orientation encourages a greater increase in ESG practices compared to the defender strategy orientation, which means that companies with a prospector orientation are more willing to practice ESG because they have strategic resources. The increasing risk‐taking by companies will reduce ESG practices. The more mature the company's life cycle stage will improve ESG practices. This brings implications that the strategy orientation chosen by the company, risk‐taking, and corporate life cycle are the determining factors for companies implementing ESG practices in ASEAN countries. This research contributes to the literature related to corporate sustainability by considering ESG as one of the measurements of sustainability which is currently the main investment trend being observed in financial markets, especially ASEAN countries which are the best areas to invest.
Exploring the differences and evolution of college students' computational thinking in programming learning through data analysis
Authors: Zhang Wei , Zeng Xinyao , Li Panpan , Wang Bing 
Published: June 2023

AbstractProgramming has received extensive attention for the embodiment of computational thinking (CT) skills. However, the lack of in‐depth research on the characteristics of college students' CT skills in text‐based programming learning has resulted in the unknown distribution characteristics and evolution patterns of their CT skills, which cannot effectively constitute an effective tracking analysis of their CT skills, thus affecting the cultivation of creative thinking and problem‐solving skills for them. Therefore, the purpose of the paper is to explore the characteristics of college students' CT skills through text‐based programming work and discover the overall characteristics, individual differences and evolutionary patterns of their CT skills on the relation between text‐based programming and CT skills through data analysis. It was found that there are roughly five categories of CT difference and four major categories with nine subcategories of CT evolution among college students. The results showed that the Control and Data skills were the students' dominant skills. In contrast, Algorithm skills were relatively weak. Only about 1/3 of the students had the phenomenon of continuous skill improvement, and programming learning did not have a significant impact on the improvement of CT skills for some students. Finally, we propose several suggestions for CT skills development strategies in response to the students' characteristics in CT skills. The study can not only fill the gaps of the current study but also identify the evolutionary characteristics of students' CT skills, which can effectively intervene in college students' programming learning and help improve their CT skills.
A study of clinical and molecular characteristics in bilateral primary breast cancer
Authors: Li Bin , Xu Weiqi , Cao Jianing , Guo Duancheng , Tao Zhonghua , Jin Juan , Hu Xichun 
Published: June 2023

AbstractBackgroundBilateral primary breast cancer (BPBC) is a rare type of breast cancer. Studies on the clinicopathologic and molecular characteristics of BPBC in a metastatic context are very limited.MethodsA total of 574 unselected metastatic breast cancer patients with clinical information were enrolled in our next‐generation sequencing (NGS) database. Patients with BPBC from our NGS database were regarded as the study cohort. In addition, 1467 patients with BPBC and 2874 patients with unilateral breast cancer (UBC) from the Surveillance, Epidemiology, and End Results (SEER) public database were also analyzed to determine the characteristics of BPBC.ResultsAmong the 574 patients enrolled in our NGS database, 20 (3.5%) patients had bilateral disease, comprising 15 (75%) patients with synchronous bilateral disease and 5 (25%) patients with metachronous bilateral disease. Eight patients had bilateral hormone receptor‐positive (HR+)/human epidermal growth factor receptor‐negative (HER2−) tumors, and three had unilateral HR+/HER2− tumors. More HR+/HER2− tumors and lobular components were found in BPBC patients than in UBC patients. The molecular subtype of the metastatic lesions in three patients was inconsistent with either side of the primary lesions, which suggested the importance of rebiopsy. Strong correlations in clinicopathologic features between the left and right tumors in BPBC were exhibited in the SEER database. In our NGS database, only one BPBC patient was found with a pathogenic germline mutation in BRCA2. The top mutated somatic genes in BPBC patients were similar to those in UBC patients, including TP53 (58.8% in BPBC and 60.6% in UBC) and PI3KCA (47.1% in BPBC and 35.9% in UBC).ConclusionsOur study suggested that BPBC may tend to be lobular carcinoma and have the HR+/HER2− subtype. Although our study did not find specific germline and somatic mutations in BPBC, more research is needed for verification.
Sport identification, moral perceptions and collective action: A study with young football players
Authors: Cocco Veronica Margherita , Bisagno Elisa , Cadamuro Alessia , Rubichi Sandro , Stathi Sofia , Vezzali Loris 
Published: June 2023

AbstractWe conducted a cross‐sectional study investigating whether sport identification predicts different forms of collective action intentions aimed to redress the unfavourable condition faced by disadvantaged individuals. In doing so, moral perceptions (moral convictions, moral violation and moral obligation) were tested as mediators. Participants were young football players from the grassroots of a professional Italian club (N = 111). Results revealed that sport identification was indirectly associated with greater willingness to engage in both normative and non‐normative solidarity‐based collective action via stronger moral obligation perceptions; moral convictions mediated the relationship between sport identification and normative collective action, while no mediation effects emerged for moral violation. We discuss findings in relation to collective action and sport research.
Phytochemical Diversity, Classification and Antibacterial Activity of Some Medicinal Plant Species from Tabuk (Saudi Arabia)
Authors: Elbalola Abdelrahim A. , Abbas Zahid Khorshid 
Published: June 2023

AbstractThe main objectives of this study were to investigate the intra‐specific and inter‐specific phytochemical diversity and classification of nine important medicinal plant species from Tabuk region (KSA), namely (Pulicaria undulata L., Pulicaria incisa Lam., Artemisia herba‐alba Asso., Artemisia monosperma Delile, Artemisia judaica L. and Achillea fragrantissima Forssk. from Asteraceae family, Ducrosia flabellifolia Boiss. from Apiaceae family, Thymus vulgaris L. and Lavandula coronopifolia Poir. from Lamiaceae family); to evaluate the antibacterial potentials of the plant extracts, and to inspect the possible associations between phytochemical diversity and contents of different phytochemical classes with the antibacterial activities of plant extracts. GC/MS technique was used to identify phytochemicals in the plant extracts. The standard disk diffusion technique was used to conduct the antibiotic susceptibility against four pathogenic bacterial species (two Gram positive: Staphylococcus aureus and Bacillus subtilis and two Gram negative species: Pseudomonas aeruginosa and Escherichia coli. A total of 160 different phytochemicals belonging to 30 compound classes were separated and identified. A. fragrantissima had the highest phytochemical diversity and P. incisa had the lowest one. Phytochemical beta diversity was 6.2362. Ethanol outperformed other extraction solvents in terms of antibacterial activity, while Pulicaria undulata and T. vulgaris ranked highest among plants in this regard. Gram positive bacterial species were more sensitive to plant extracts compared to Gram negative species. Phytochemical diversity and antibacterial activity of plant extracts against E. coli and P. aeruginosa were positively correlative, terpenoid and benzene & substituted derivative contents exhibited significant (p<0.05) positive correlations with the antibacterial activity against E. coli, terpenoid contents also showed positive correlation with activity against P. aeruginosa; benzene & derivative showed positive correlation with activity against the rest of bacterial species,
Development of Fluorescent Isocoumarin‐Fused Oxacyclononyne – 1,2,3‐Triazole Pairs
Authors: Vidyakina Aleksandra A. , Shtyrov Andrey A. , Ryazantsev Mikhail N. , Khlebnikov Alexander F. , Kolesnikov Ilya E. , Sharoyko Vladimir V. , Spiridonova Dar‘ya V. , Balova Irina A. , Bräse Stefan , Danilkina Natalia A. 
Published: June 2023

AbstractFluorescent isocoumarin‐fused cycloalkynes, which are reactive in SPAAC and give fluorescent triazoles regardless of the azide nature, have been developed. The key structural feature that converts the non‐fluorescent cycloalkyne/triazole pair to its fluorescent counterpart is the pi‐acceptor group (COOMe, CN) at the C6 position of the isocoumarin ring. The design of the fluorescent cycloalkyne/triazole pairs is based on the theoretical study of the S1 state deactivation mechanism of the non‐fluorescent isocoumarin‐fused cycloalkyne IC9O using multi‐configurational ab initio and DFT methodologies. The calculations revealed that deactivation proceeds through the electrocyclic ring opening of the α‐pyrone cycle and is accompanied by a redistribution of electron density in the fused benzene ring. We proposed that the S1 excited state deactivation barrier could be increased by introducing a pi‐acceptor group into a position that is in direct conjugation with the formed C=O group and has a reduced electron density in the transition state. As a proof of concept, we designed and synthesized two fluorescent isocoumarin‐fused cycloalkynes IC9O‐COOMe and IC9O‐CN bearing pi‐acceptors at the C6 position. The importance of the nature of a pi‐acceptor group was shown by the example of much less fluorescent CF3‐substituted cycloalkyne IC9O‐CF3.
Highly Soluble Cyclic Organoalanes Based on Anionic Dicarbenes
Authors: Merschel Arne , Vishnevskiy Yury V. , Neumann Beate , Stammler Hans‐Georg , Ghadwal Rajendra S. 
Published: June 2023

AbstractCyclic organoalane compounds [(ADCAr)AlH2]2 (ADCAr = ArC{(DippN)C}2; Dipp = 2,6‐iPr2C6H3; Ar = Ph or 4‐PhC6H4 (Bp)) based on anionic dicarbene (ADC) frameworks have been reported as crystalline solids. Treatments of Li(ADCAr) with LiAlH4 at room temperature afford [(ADCAr)AlH2]2 with the concomitant release of LiH. Compounds [(ADCAr)AlH2]2 are stable crystalline solids and are freely soluble in common organic solvents. They are annulated tricyclic compounds with an almost planar central C4Al2‐core embedded between two peripheral 1,3‐imidazole (C3N2) rings. At room temperature, [(ADCPh)AlH2]2 readily reacts with CO2 to form two‐ and four‐fold hydroalumination products [(ADCPh)AlH(OCHO)]2 and [(ADCPh)Al(OCHO)2]2, respectively. Further hydroalumination reactivity of [(ADCPh)AlH2]2 has been shown with isocyanate (RNCO) and isothiocyanate (RNCS) species (R=alkyl or aryl group). All compounds have been characterized by NMR spectroscopy, mass spectrometry, and single‐crystal X‐ray diffraction.
Synthesis, Crystal Structures, and Ion Pairing of κ6N Complexes with Rare‐Earth Elements in the Solid State and in Solution
Authors: Wingering Perrine M. R. , Hohnstein Silvia , Krämer Felix , Dilanas Melina E. A. , Ruiz‐Martínez Cristina , Fernández Ignacio , Breher Frank 
Published: June 2023

AbstractThe rare earth element complexes (Ln=Y, La, Sm, Lu, Ce) of several podant κ6N‐coordinating ligands have been synthetized and thoroughly characterized. The structural properties of the complexes have been investigated by X‐ray diffraction in the solid state and by advanced NMR methods in solution. To estimate the donor capabilities of the presented ligands, an experimental comparison study has been conducted by cyclic voltammetry as well as absorption experiments using the cerium complexes and by analyzing 89Y NMR chemical shifts of the different yttrium complexes. In order to obtain a complete and detailed picture, all experiments were corroborated by state‐of‐the‐art quantum chemical calculations. Finally, coordination competition studies have been carried out by means of 1H and 31P NMR spectroscopy to investigate the correlation with donor properties and selectivity.
Synthesis of Neuraminidase‐Resistant Sialyllactose Mimetics from N‐Acyl Mannosamines using Metabolically Engineered Escherichia coli
Authors: Rivollier Paul , Samain Eric , Armand Sylvie , Jeacomine Isabelle , Richard Emeline , Fort Sébastien 
Published: June 2023

AbstractHerein, we describe the efficient gram‐scale synthesis of α2,3‐ and α2,6‐sialyllactose oligosaccharides as well as mimetics from N‐acyl mannosamines and lactose in metabolically engineered bacterial cells grown at high cell density. We designed new Escherichia coli strains co‐expressing sialic acid synthase and N‐acylneuraminate cytidylyltransferase from Campylobacter jejuni together with the α2,3‐sialyltransferase from Neisseria meningitidis or the α2,6‐sialyltransferase from Photobacterium sp. JT‐ISH‐224. Using their mannose transporter, these new strains actively internalized N‐acetylmannosamine (ManNAc) and its N‐propanoyl (N‐Prop), N‐butanoyl (N‐But) and N‐phenylacetyl (N‐PhAc) analogs and converted them into the corresponding sialylated oligosaccharides, with overall yields between 10 % and 39 % (200‐700 mg.L−1 of culture). The three α2,6‐sialyllactose analogs showed similar binding affinity for Sambucus nigra SNA−I lectin as for the natural oligosaccharide. They also proved to be stable competitive inhibitors of Vibrio cholerae neuraminidase. These N‐acyl sialosides therefore hold promise for the development of anti‐adhesion therapy against influenza viral infections.
Utility and performance of cell blocks in urine cytology: Experience at three teaching hospitals
Authors: Greenland Nancy Y. , Khorsandi Nikka , Peng Yue , Balassanian Ronald , Tabatabai Z. Laura , Tiffany Shing Tze Wai , Vohra Poonam 
Published: June 2023

AbstractBackgroundThe use of cell block (CB) preparation is underused in urine cytology (UC) and varies among hospitals. In addition to confirming a diagnosis, CBs can be useful in cases of metastatic disease, diagnoses requiring immunohistochemical (IHC) staining, and for ancillary studies. The role of this study is to examine the performance of CBs for UC at three affiliated teaching hospitals.Materials and MethodsA retrospective review of UC cases with a CB was conducted at a county hospital, Veterans Affairs hospital, and tertiary university‐based hospital. For each specimen, patient demographics, specimen type, volume, original diagnosis, and IHC stains were recorded. Each case was reviewed for diagnosis based on ThinPrep alone, diagnosis based on ThinPrep and CB, utility of CB for diagnosis, and CB cellularity.ResultsA total of 250 UC specimens with CB from 186 patients was identified. Bladder washes were the most common (72.1%). IHC stains were performed on 17.2% of cases. On blinded review, CB preparation was deemed useful in 61.2% of cases, with the highest rate for suspicious for high‐grade urothelial carcinoma (SHGUC) cases (87.0%). The diagnosis based on ThinPrep review changed with incorporation of CB in 13.2% of cases, with the highest rate for SHGUC cases (43.5%).ConclusionsThe results demonstrate that use of CB in UC confirms the final diagnosis in more than one‐half of cases and changes the diagnosis in a subset of cases. Use of CB was most helpful in the SHGUC category. Further evaluation of the types of cases in which CB are prepared is warranted.
Metal‐organic framework (MOF) thickness control for carbon dioxide electroreduction to formate
Authors: Nie Zhihao , Yu Licheng , Jiang Lili , Li Ming , Ding Shan , Xia Baokai , Cheng Chi , Duan Jingjing , Chen Sheng 
Published: June 2023

AbstractDecreasing particle size (like thickness) is a common strategy to enhance the activities of catalysts. In this work, we have synthesized two coppers, which are bismuth‐based metal‐organic framework (CuBi‐MOF) catalysts with different thicknesses (134.8 and 2.0 nm). In contrast to common expectations, large thickness CuBi‐MOF has exhibited superior activities as a comparison to its small‐thickness counterpart in terms of carbon dioxide electroreduction to produce formate, characteristic of high selectivity (Faraday efficiency > 90%), a wide window of potential (−0.6 to −1.6 V vs. reversible hydrogen electrode), and large current densities (up to −380 mA cm−2). The mechanism study has been performed by using density functional theory calculations, which highlight the strong synergic effect between Cu and Bi sites in large‐thickness CuBi‐MOF for activating CO2 molecules. Consequently, large‐thickness CuBi‐MOF could show smaller Gibbs free energies compared to its small counterpart for binding with reaction intermediate (*COOH, 1.1 vs. 1.8 eV). The result of this work could provide new insights into catalyst design toward a number of electrochemical systems.