bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating environmentally sustainable consumption: A diary study of home‐based consumption behaviors
Authors: Barone Ada Maria , Grappi Silvia , Romani Simona 
Published: May 2024

AbstractThis study analyzes three environmentally sustainable household consumption behaviors (optimizing the use of domestic water, minimizing food waste, and minimizing plastic packaging usage) through the model of goal‐directed behavior. The findings show that attitudes, subjective norms, perceived behavioral control, anticipated emotions, and habits are all significant predictors of the desire to adopt sustainable consumption behaviors, which directly fosters the intention to adopt these behaviors. Intention–behavior links were unique for each behavior; minimizing plastic packaging usage was the most difficult behavior to implement. This study offers useful insights into people's sustainable consumption goals and their intentions to adopt responsible consumption behaviors. A generalizable model of environmentally sustainable household behaviors that considers the three behaviors simultaneously is presented. This study suggests that business and policy strategies that could successfully promote sustainability in the household might proceed by, for example, empowering consumers or changing their habits.
Beyond analytics: Using computer‐aided methods in educational research to extend qualitative data analysis
Authors: Vieira Camilo , Ortega‐Alvarez Juan D. , Magana Alejandra J. , Boutin Mireille 
Published: May 2024

AbstractThis study proposes and demonstrates how computer‐aided methods can be used to extend qualitative data analysis by quantifying qualitative data, and then through exploration, categorization, grouping, and validation. Computer‐aided approaches to inquiry have gained important ground in educational research, mostly through data analytics and large data set processing. We argue that qualitative data analysis methods can also be supported and extended by computer‐aided methods. In particular, we posit that computing capacities rationally applied can expand the innate human ability to recognize patterns and group qualitative information based on similarities. We propose a principled approach to using machine learning in qualitative education research based on the three interrelated elements of the assessment triangle: cognition, observation, and interpretation. Through the lens of the assessment triangle, the study presents three examples of qualitative studies in engineering education that have used computer‐aided methods for visualization and grouping. The first study focuses on characterizing students' written explanations of programming code, using tile plots and hierarchical clustering with binary distances to identify the different approaches that students used to self‐explain. The second study looks into students' modeling and simulation process and elicits the types of knowledge that they used in each step through a think‐aloud protocol. For this purpose, we used a bubble plot and a k‐means clustering algorithm. The third and final study explores engineering faculty's conceptions of teaching, using data from semi‐structured interviews. We grouped these conceptions based on coding similarities, using Jaccard's similarity coefficient, and visualized them using a treemap. We conclude this manuscript by discussing some implications for engineering education qualitative research.
Development of Putative Bivalent Dicovalent Ligands for the Adenosine A1 Receptor
Authors: Payne China M. , Baltos Jo‐Anne , Langiu Monica , Sinh Lu Cam , Tyndall Joel D. A. , Gregory Karen J. , May Lauren T. , Vernall Andrea J. 
Published: May 2024

AbstractAccumulating evidence suggests that G protein‐coupled receptors (GPCRs) can exist and function in homodimer and heterodimer forms. The adenosine A1 receptor (A1R) has been shown to form both homodimers and heterodimers, but there is a lack of chemical tools to study these dimeric receptor populations. This work describes the synthesis and pharmacological evaluation of a novel class of bivalent GPCR chemical tools, where each ligand moiety of the bivalent compound contains a sulfonyl fluoride covalent warhead designed to be capable of simultaneously reacting with each A1R of an A1R homodimer. The novel compounds were characterised using radioligand binding assays, including washout assays, and functionally in cAMP assays. The bivalent dicovalent compounds were competitive A1R antagonists and showed evidence of covalent binding and simultaneous binding across an A1R homodimer. Greater selectivity for A1R over the adenosine A3 receptor was observed for bivalent dicovalent over the equivalent monovalent compounds, indicating subtype selectivity can be achieved with dual occupation by a bivalent dicovalent ligand.
Generalized lichen planus pigmentosus and a new management approach
Authors: Araghi Farnaz , Beyki Farideh , Rakhshan Azadeh , Farshi Hamideh Moravvej 
Published: May 2024

Key Clinical MessageGeneralized lichen planus pigmentosus significantly improved with the daily administration of Tofacitinib at a dosage of 15 mg.
Combining computer‐based rehabilitative approach with tDCS for recovering of aphasia: Implications from a single case study
Authors: Contrada Marianna , Scarfone Federica , Iozzi Antonella , Carozzo Simone , Vatrano Martina , Nicoletta Maria Grazia , Nudo Giuseppe , Quintieri Maria , Tonin Paolo , Cerasa Antonio 
Published: May 2024

Key Clinical MessageWe present a case of a single left hemisphere temporal–parietal stroke with subacute global aphasia and severe verbal apraxia and moderate dysphagia. The patient underwent a combined transcranial direct current stimulation (tDCS) over the left dorsolateral prefrontal cortex (DLPFC) and language stimulation with Virtual Reality Rehabilitation System (VRRS). Patient was treated in a 1‐h session, for 5 days a week, for 4 consecutive weeks. After treatment, evident improvements in the comprehension of oral and written language, swallowing abilities, and caregiver burden were detected. Power spectrum analysis of EEG data revealed significant enhancements of θ, α, and β waves from baseline to follow‐up. These preliminary results seem to confirm the reliability of the tDCS translational application in conjunction with computer‐based cognitive treatment for language disorders in a patient with stroke‐induced aphasia.
Robust, Reproducible, and Scalable Synthesis of Silver Nanocubes
Authors: Zhang Dong , Chen Yidan , Huang Yu‐Shan , Huang Qijia , Kwan Li Kei , Xia Younan 
Published: May 2024

AbstractIt remains a challenge to accomplish colloidal synthesis of noble‐metal nanocrystals marked by high quality, large quantity, and batch‐to‐batch consistency. Here we report a self‐airtight setup for achieving robust, reproducible, and scalable production of Ag nanocubes with uniform and controlled sizes from 18 to 60 nm. Different from the conventional open‐to‐air setup, the self‐airtight system makes it practical to stabilize the reaction condition by minimizing the loss of volatile reagents. The new setup also allows us to easily optimize the amount of O2 (from air) trapped in the system, ensuring burst nucleation of single‐crystal seeds, followed by their slow growth into nanocubes. Most significantly, the new setup allows for the production of Ag nanocubes at gram quantities without sacrificing uniformity, corner/edge sharpness, controlled size, and high purity across different batches. The availability of high‐quality Ag nanocubes in such a large quantity is anticipated to substantially boost their use in applications related to plasmonics, catalysis, and biomedicine.
Systems and Methods for Continuous Evolution of Enzymes
Authors: Chen Anqi , Zhang Xinge Diana , Đelmaš Aleksandra Đurđević , Weitz David A. , Milcic Karla 
Published: May 2024

AbstractDirected evolution generates novel biomolecules with desired functions by iteratively diversifying the genetic sequence of wildtype biomolecules, relaying the genetic information to the molecule with function, and selecting the variants that progresses towards the properties of interest. While traditional directed evolution consumes significant labor and time for each step, continuous evolution seeks to automate all steps so directed evolution can proceed with minimum human intervention and dramatically shortened time. A major application of continuous evolution is the generation of novel enzymes, which catalyze reactions under conditions that are not favorable to their wildtype counterparts, or on altered substrates. The challenge to continuously evolve enzymes lies in automating sufficient, unbiased gene diversification, providing selection for a wide array of reaction types, and linking the genetic information to the phenotypic function. Over years of development, continuous evolution has accumulated versatile strategies to address these challenges, enabling its use as a general tool for enzyme engineering. As the capability of continuous evolution continues to expand, its impact will increase across various industries. In this review, we summarize the working mechanisms of recently developed continuous evolution strategies, discuss examples of their applications focusing on enzyme evolution, and point out their limitations and future directions.
Migration of Condensed Aromatic Hydrocarbons During Alkyne‐Vinylidene Rearrangements
Authors: Korb Marcus , Ghazvini Seyed M. B. H. , Low Paul J. 
Published: May 2024

AbstractDiarylacetylenes ArC≡CAr featuring condensed aromatic hydrocarbon fragments (Ar) such as naphthalene, anthracene, phenanthrene and pyrene were converted into vinylidene ligands by 1,2‐migration reactions within the coordination sphere of half‐sandwich complexes [MII(dppe)Cp]+ (MII = RuII, FeII). Comparison of the extent of conversion of the alkyne substrates to the vinylidene complexes [Ru{=C=CAr2}(dppe)Cp]+ with those obtained from acetylenes functionalized by smaller groups (H, CH3, Ph) show that the molecular volume (VM) of the migrating group and relief of steric congestion plays a role during the rearrangement process. Conversely, the H‐atoms from the larger condensed ring aryl groups that are in close proximity to the migrating sites also have a significant influence on the efficacy and extent of the reaction by restricting access of the alkyne to the metal center, resulting in a less effective migration reaction. This combination of competing steric factors (acceleration due to relief of steric congestion and restricted access of the alkyne moiety to the reaction site) is exemplified by the facile migration of 1‐pyryl entities and the low yields of vinylidene products formed from 1,2‐bis(9‐anthryl)acetylene.
Cation‐Stacking Approach Enabling Interconversion between Bis(xanthylium) and its Reduced Species
Authors: Kikuchi Moto , Tadokoro Tomoki , Tachibana Takuya , Suzuki Shuichi , Suzuki Takanori , Ishigaki Yusuke 
Published: May 2024

AbstractCyclophane‐type dications with two units of xanthylium were designed, with the expectation that intramolecular interaction between cation units could induce changes in absorption and redox behavior. The desired dications were synthesized via the macrocyclic diketone as a key intermediate, which was efficiently obtained by a stepwise etherification. X‐ray and UV/Vis measurements revealed that the cyclophane‐type dications adopt a stacking structure in both the crystal and solution. Due to the intramolecular interaction caused by π–π stacking of the xanthylium units, a considerable blue shift compared to the corresponding monocations and a two‐stage one‐electron reduction process were observed in the dications. Furthermore, upon electrochemical reduction of dications, the formation of biradicals via radical cation species was demonstrated by UV/Vis spectroscopy with several isosbestic points at both stages. Therefore, the cation‐stacking approach is a promising way to provide novel properties due to perturbation of their molecular orbitals and to stabilize the reduced species even though they have open‐shell characters.
Organoselenium Compounds in Medicinal Chemistry
Authors: Gallo‐Rodriguez Carola , Rodriguez Juan B. 
Published: May 2024

AbstractThe chemical and biological interest in this element and the molecules bearing selenium has been exponentially growing over the years. Selenium, formerly designated as a toxin, becomes a vital trace element for life that appears as selenocysteine and its dimeric form, selenocystine, in the active sites of selenoproteins, which catalyze a wide variety of reactions, including the detoxification of reactive oxygen species and modulation of redox activities. From the point of view of drug developments, organoselenium drugs are isosteres of sulfur‐containing and oxygen‐containing drugs with the advantage that the presence of the selenium atom confers antioxidant properties and high lipophilicity, which would increase cell membrane permeation leading to better oral bioavailability. This statement is the paramount relevance considering the big number of clinically employed compounds bearing sulfur or oxygen atoms in their structures including nucleosides and carbohydrates. Thus, in this article we have focused on the relevant features of the application of selenium in medicinal chemistry. With the increasing interest in selenium chemistry, we have attempted to highlight the most significant published data on this subject, mainly concentrating the analysis on the last years. In consequence, the recent advances of relevant pharmacological organoselenium compounds are discussed.
Aniquinazoline B, a Fungal Natural Product, Activates the μ‐Opioid Receptor
Authors: Damiescu Roxana , Elbadawi Mohamed , Dawood Mona , Klauck Sabine M. , Bringmann Gerhard , Efferth Thomas 
Published: May 2024

AbstractThe development of new μ‐opioid receptor (MOR) agonists without the undesirable side effects, such as addiction or respiratory depression, has been a difficult challenge over the years. In the search for new compounds, we screened our chemical database of over 40.000 substances and further assessed the best 100 through molecular docking. We selected the top 10 compounds and evaluated them for their biological activity and potential to influence cyclic adenosine monophosphate (cAMP) levels. From the tested compounds, compound 7, called aniquinazoline B, belonging to the quinazolinone alkaloids class and isolated from the marine fungus Aspergillus nidulans, showed promising results, by inhibiting cAMP levels and in vitro binding to MOR, verified through microscale thermophoresis. Transcriptomic data investigation profiled the genes affected by compound 7 and discovered activation of different pathways compared to opioids. The western blot analysis revealed compound 7 as a balanced ligand, activating both p‐ERK1/2 and β‐arrestin1/2 pathways, showing this is a favorable candidate to be further tested.
Hybrid catalyst‐assisted synthesis of multifunctional carbon derived from Camellia shell for high‐performance sodium‐ion batteries and sodium‐ion hybrid capacitors
Authors: Mao Hanshu , Yang Sisi , Yang Yingjun , Yang Jinyue , Yuan Guizhi , Zheng Mingtao , Hu Hang , Liang Yeru , Yu Xiaoyuan 
Published: May 2024

AbstractBiomass‐derived carbon as energy storage materials have gradually attracted widespread attention due to their low cost, sustainability, and inherent structural advantages. Herein, hard carbon (H‐1200) and porous carbon (PC‐800) for sodium‐ion batteries (SIBs), sodium‐ion capacitors (SICs) half cells and sodium‐ion hybrid capacitors (SIHCs) have been synthesized from the same biomass precursor of Camellia shells through different treatments. H‐1200 synthesized by directly high‐temperature carbonization possesses a rational graphitic layer structure and plentiful heteroatoms. When applied as anode for SIBs, it exhibits a reversible capacity of 365.5 mAh g–1 at 25 mA g–1 and capacity retention 89.0% after 400 cycles at 200 mA g–1. Additionally, PC‐800 prepared by catalytic carbonization of K2C2O4/CaC2O4 hybrid catalyst has a sophisticated porous structure and a high surface area of 2186.9 m2 g–1. When employed as a cathode for SICs, it delivers a maximum capacity 104.2 mAh g–1 at 100 mA g–1 and 35.0 mAh g–1 at 5 A g–1. Furthermore, the all carbon assembled SIHC (H‐1200||PC‐800) using H‐1200 as anode and PC‐800 as cathode, features a broad output voltage range (0.01 ~ 4.1 V), high energy density of 161.5 Wh kg–1, power density of 12896.1 W kg–1, and superior capacity retention of 90.32% after 10000 cycles at 10 A g–1. This research result provide a new horizon for constructing low‐cost and large‐scale production of biomass derived carbon for energy storage materials.
Small Changes, Big Impact: Radical Formation of Perylene Monoimides in Photoredox Catalysis
Authors: Hagmeyer Nina , Costabel Daniel , Hofmeister Elisabeth , Nabiyan Afshin , Max Johannes , Schacher Felix H. , Peneva Kalina , Dietzek‐Ivanšić Benjamin 
Published: May 2024

AbstractThe use of organic molecules as photosensitizers in photoredox catalysis is an attractive research field as it has the potential to replace conventionally used photosensitizers, which are based on rare metals. In the context of light‐driven hydrogen evolution catalysis, the radical formation of two perylene monoimide dyes (PMIs) was studied by means of electron paramagnetic resonance (EPR) and UV/Vis spectroscopy. The PMIs were reduced and oxidized both photochemically and electrochemically to study the changes in absorption and EPR signature. A distinct differentiation between the two PMIs as well as a comparison between the oxidative and reductive processes can be made by EPR measurements. UV/Vis measurements showed different features under redox conditions. This study addresses a gap in understanding the radical intermediate formation during photocatalytic processes.
Fluoride Ions Post‐Treatment Regulates Interfacial Charge Separation and Transport to Promote Solar Water Splitting of Bismuth Vanadate
Authors: Liu Xiaogang , Zhang Xin , Chen Mengyu , Zhang Xing , Cao Kangzhe 
Published: May 2024

AbstractHerein, we propose a simple and effective fluoride (F−) ions post‐treatment method to improve the solar water splitting performance of monoclinic BiVO4 (abbreviated as BVO). The surface modification of BVO with functional F− ions not only facilitates the transfer and separation efficiency of carriers at the electrode/electrolyte interface but also promotes the adsorption and activation of water, resulting in a photocurrent of 3.2 mA/cm2 at a bias voltage of 1.2 VRHE. Furthermore, the transfer and separation of carriers in the bulk and on the surface are further regulated by the oxygen vacancies induced by F− ions, thereby enhancing the PEC water splitting performance of BVO. Notably, the experimental findings demonstrate that the introduce of F− ions into the KBi electrolyte enhances the photo‐charging process of BVO. Specifically, at a bias voltage of 0.6 VRHE, the BVO‐0.12F sample exhibits a stable photocurrent of 1.2 mA/cm2, which is twice as high as that of the initial BVO sample. Remarkably, our study unveils that the addition of F− ions into the KBi electrolyte solution plays a pivotal role in facilitating the separation of charge carriers and promoting interfacial charge transport. Consequently, this further leads to a substantial enhancement in the solar water splitting performance for BVO‐0.12F photoanode.
Photocatalytic Three‐Component α‐Trifluoroalkyl‐β‐Heteroarylation of Unactivated Alkenes with Trifluoroacetates
Authors: He Yang , Wang Wenlin , An Yuanyuan , Zheng Danqing 
Published: May 2024

AbstractWe herein disclose a direct and practical photocatalytic three‐component α‐trifluoroalkyl‐β‐heteroarylation of various unactivated alkenes with trifluoroacetates and quinoxalin‐2(1H)‐ones. The reaction takes place via a photoinduced LMCT process, allowing efficient synthesis of a variety of 3‐fluoroalkylated quinoxalin‐2(1H)‐one derivatives in moderate to excellent yields under mild reaction conditions.
Fire safety research of rubber floor covering in a China ice sports center
Authors: Nan Tianchen , Zhang Huayun , Wu Dongli 
Published: May 2024

AbstractThis article examines the fire safety of rubber flooring used in an ice sports center in China. The fire characteristics and parameters of the rubber floor were determined through material fire tests. Subsequently, a fire safety analysis was conducted using the fire intrinsic safety method. Additionally, numerical simulation was employed to investigate fire and evacuation scenarios, particularly when the safety grade of the floor decoration materials falls below standard requirements. The results indicate that, under specific safety conditions, the ice sports center can utilize B1 grade rubber flooring in the required area while ensuring compliance with fire safety standards.
Bayesian benchmark dose risk assessment with mixed‐factor quantal data
Authors: Glisovic‐Bensa Mirjana , Piegorsch Walter W. , Bedrick Edward J. 
Published: May 2024

AbstractBenchmark analysis is a general risk estimation strategy for identifying the benchmark dose (BMD) past which the risk of exhibiting an adverse environmental response exceeds a fixed, target value of benchmark response. Estimation of BMD and of its lower confidence limit (BMDL) is well understood for the case of an adverse response to a single stimulus. In many environmental settings, however, one or more additional, secondary, qualitative factor(s) may collude to affect the adverse outcome, such that the risk changes with differential levels of the secondary factor. Bayesian methods for estimation of the BMD and BMDL have grown in popularity, and a large variety of candidate dose–response models is available for applying these methods. This article applies Bayesian strategies to a mixed‐factor setting with a secondary qualitative factor possessing two levels to derive two‐factor Bayesian BMDs and BMDLs. We present reparameterized dose–response models that allow for explicit use of prior information on the target parameter of interest, the BMD. We also enhance our Bayesian estimation technique for BMD analysis by applying Bayesian model averaging to produce the BMDs and BMDLs, overcoming associated questions of model adequacy when multimodel uncertainty is present. An example from environmental carcinogenicity testing illustrates the calculations.