bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthetic Strategies of N‐Heterocyclic Olefin (NHOs) and Their Recent Application of Organocatalytic Reactions and Beyond
Authors: G Mahantesh , Sharma Deepika , Dandela Rambabu , Dhayalan Vasudevan 
Published: August 2023

AbstractN‐heterocyclic olefin (NHO) derivatives have an electron‐rich as well as highly polarized carabon‐carbon (C=C) double bond because of the electron‐donating nature of nitrogen and sulphur atoms. While NHOs have been developing as novel organocatalysts and ligands for transition‐metal complexes in various organic compound syntheses, different research groups are currently interested in preparing imidazole and triazolium‐based chiral NHO catalysts. Some of them have been used for enantioselective organic transformations, but were still elusive. N‐heterocyclic olefins, the alkylidene derivatives of N‐heterocyclic carbenes (NHC), have shown promising results as effective promoters for numerous organic syntheses such as asymmetric catalysis, hydroborylation, hydrosilylation, reduction, CO2 sequestration, alkylation, cycloaddition, polymerization and the ring‐opening reaction of aziridine and epoxides, esterification, C−F bond functionalization, amine coupling, trifluoromethyl thiolation, amination etc. NHOs catalysts with suitable structures can serve as a novel class of Lewis/Bronsted bases with strong basicity and high nucleophilicity properties.These facts strongly suggest their enormous chemical potential as sustainable catalysts for a wide variety of reactions in synthetic chemistry. The synthesis of NHOs and their properties are briefly reviewed in this article, along with a summary of the imidazole and triazole core of NHOs′ most recent catalytic uses.
Carbon Nitrides from Supramolecular Crystals: From Single Atoms to Heterojunctions and Advanced Photoelectrodes
Authors: Barrio Jesús , Li Junyi , Shalom Menny 
Published: August 2023

AbstractCarbon nitride materials (CN) have become one of the most studied photocatalysts within the last 15 years. While CN absorbs visible light, its low porosity and fast electron‐hole recombination hinder its photoelectric performance and have motivated the research in the modification of its physical and chemical properties (such as energy band structure, porosity, or chemical composition) by different means. In this Concept we review the utilization of supramolecular crystals as CN precursors to tailor its properties. We elaborate on the features needed in a supramolecular crystal to serve as CN precursor, we delve on the influence of metal‐free crystals in the morphology and porosity of the resulting materials and then discuss the formation of single atoms and heterojunctions when employing a metal‐organic crystal. We finally discuss the performance of CN photoanodes derived from crystals and highlight the current standing challenges in the field.
Inspired dual functional adsorption films of armed molecules on copper
Authors: Shi Yueting , Xiong Junle , Li Hongru , Gao Fang , Wang Xinchao , Zhang Shengtao 
Published: August 2023

AbstractIn this study, double norfloxacin skeletons including the target armed molecules (DNs) displaying antibacterial and anticorrosion properties for copper in aqueous solutions were presented. The molecular modelling and material simulation calculations suggest that the target molecules could be adsorbed to copper surface, which was further demonstrated by attenuated total reflection infrared spectroscopy (ATR‐IR), X‐ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), and scanning electron microscopy (SEM). The experimental results show that the copper surface which adsorbed the target armed molecules exhibited an excellent inhibitory effect on Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). The potentiodynamic polarization plots and electrochemical impedance spectroscopy demonstrate that the DNs of 0.100 mM achieved over 95% corrosion inhibition efficiency for copper in 0.5 M H2SO4 solution at 298 K. The results given in this study may guide us to achieve bacterial and corrosion resistances for copper based on the drug‐included armed molecules.
PROTOCOL: School‐based interventions for reducing disciplinary school exclusion: An updated systematic review
Authors: Valdebenito Sara , Gaffney Hannah , Jolliffe Darrick 
Published: August 2023

AbstractThe primary goal of the present mixed methods review is to systematically examine the available evidence for the effectiveness of different types of school‐based interventions for reducing disciplinary school exclusion. Quantitative evidence will help to understand the overall size of the impact, as well as the factors that better explain it. Qualitative evidence will help to better understand how these programmes may work, and what factors aid or hinder implementation and success.The research questions underlying the quantitative review are as follows:

Do school‐based programmes reduce the use of exclusionary sanctions in schools?
Are some school‐based approaches more effective than others in reducing exclusionary sanctions?
Do participants’ characteristics (e.g., age, sex, or ethnicity) affect the impact of school‐based programmes on exclusionary sanctions in schools?
Do characteristics of the interventions, implementation, and methodology affect the impact of school‐based programmes on exclusionary sanctions in schools?
Do school‐based programmes have an impact on reducing the involvement of children and young people in crime and violence?
Do participants’ characteristics (e.g., age, gender, ethnicity) affect the impact of school‐based programmes on crime and violence?If sufficient data are available, we will compare different approaches (e.g., school‐wide management, classroom management, restorative justice, cognitive‐behavioural interventions) and identify those that could potentially demonstrate larger effects. We will also (potentially) run analysis controlling for characteristics of participants (e.g., age, ethnicity, level of risk); interventions (e.g., theoretical bases, components); implementation (e.g., facilitators’ training, doses, quality); and methodology (e.g., research design).The research questions underlying the qualitative review are defined as follows:

What are the barriers and facilitators to implementation of interventions to reduce school exclusions?
What are the barriers and facilitators to implementation of interventions to reduce the involvement of children and young people in crime and violence?
Computational assessment of leg response to extreme loadings using a detailed finite element model
Authors: Vikram Aman , Chawla Anoop , Mukherjee Sudipto 
Published: August 2023

AbstractThis study focuses on evaluating the response of the Total Human Model for Safety™ lower extremity finite element model under blast loading. Biofidelity of the lower extremity model was evaluated against experiments with impact loading equivalent to underbody blast. The model response was found to match well with the experimental data for the average impactor speeds of 7 and 9.3 m/s resulting in an overall correlation and analysis rating of 0.86 and 0.82, respectively. The model response was then used to investigate response for antipersonnel mine explosion where the numerical setup consists of a charge mass of 40 g trinitrotoluene placed at a depth of 50 mm below the heel. The explosion was modeled using Multi Material‐Arbitrary Lagrangian Eulerian method. The model was subjected to the graded input in terms of variation in standoff distance and mass of explosive to investigate the sensitivity of the model. The model found sensitive to the threat definition and predicted an increase of 110% in peak fluid‐structure interaction force with 20% reduction in its time to peak and 29% increase in peak calcaneus axial force with a reduction of 33% in its time to peak when explosive mass varied from 40 g to 100 g. The location of the explosive below the foot was discovered to have significant effect on the injury pattern in near‐field explosion. A comparative study suggested that the model predicted similar response and damage pattern compared to experimental data.
Omentum provides a special cell microenvironment for ovarian cancer
Authors: Li Zeying , Fang Xiaoling , Wang Sixue 
Published: August 2023

AbstractBackgroundOvarian cancer seriously threatens women's health because of its poor prognosis and high mortality. Due to the lack of efficient early detection and screening methods, when patients seek doctors' help with complaints of abdominal distension, back pain and other nonspecific signs, the clinical results always hint at the widespread metastasis of disease. When referring to the metastasis of this disease, the omentum always takes precedence.Recent findingsThe distinguishing feature of the omentum is adipose tissue, which satisfies the energy demand of cancer cells and supplies a more aggressive environment for ovarian cancer cells. In this review, we mainly focus on three important cell types: adipocytes, macrophages, and mesenchymal stem cells. Besides, several mechanisms underlying cancer‐associated adipocytes (CAA)‐facilitated ovarian cancer cell development have been revealed, including their capacities for storing lipids and endocrine function, and the release of hormones, growth factors, and adipokines. Blocking the reciprocity among cancer cells and various cells located on the omentum might contribute to ovarian cancer therapy. The inhibition of hormones, growth factors and adipokines produced by adipocytes will be a novel therapeutic strategy. However, a sufficient number of trials has not been performed. In spite of this, the therapeutic potential of metformin and the roles of exercise in ovarian cancer will be worth mentioning.ConclusionIt is almost impossible to overcome completely ovarian cancer at the moment. What we can do is trying our best to improve these patients' prognoses. In this process, adipocytes may bring promising future for the therapy of ovarian cancer.
The effect of lightness, chroma, and hue on depth perception
Authors: Gong Shi‐Min , Liou Fan‐Yu , Lee Wen‐Yuan 
Published: August 2023

AbstractColor coding of the graphical user interface (GUI) is effective in cognitive tasks, especially searching and identifying target stimuli from a crowded GUI. The perceived color depth on a flat GUI is a critical feature in mapping the stratification of information. In color science, the visual phenomena of advancing and receding colors provide the perceived depth needed for GUI design. The experiment used a series of color pairs as experimental samples to observe the phenomenon of depth perception caused by colors and obtain the judgment of the perception of color depth. This study developed a best‐fit regression model to predict the perceived color depth. The study found that the higher the lightness, the higher the chroma, and the closer the hue is to 33° (reddish color), the colors tend to be the advancing colors; the lower the lightness, the lower the chroma, and the closer the hue is to 213° (blue‐greenish color), the colors tend to be the receding colors.
Vinyl Phosphonates as Photopharmacological Agents: Laser‐Induced Cis‐Trans Isomerization and Butyrylcholinesterase Activity
Authors: Bikbaeva Gulia , Egorova Anastasia , Sonin Nikolai , Pilip Anna , Kolesnikov Ilya , Pankin Dmitrii , Boroznjak Roman , Manshina Alina 
Published: August 2023

AbstractPhotoswitchable molecules are highly requested compounds in various fields and, in particular, biomedicine. The urgent modern task of photopharmacology (an emerging approach in medicine) is the design of molecules that have both photoswitchable and bioactive properties. In this study, we present vinyl phosphonates – diene compounds with ethyl and isopropyl substituents on the phosphonate group. Both compounds demonstrated laser‐induced cis‐trans isomerization via a C=C bond after irradiation at 266 nm. The photoisomerization quantum yield was 17 % and 20 % for compounds with ethyl and isopropyl groups, respectively. The main advantage of the presented vinyl phosphonates is their bioactivity, unlike other photoswitchable molecules. Rather efficient butyrylcholinesterase inhibition by both presented compounds was demonstrated by IPC‐Micro analysis. The notable butyrylcholinesterase inhibition increase by 5 and 9 times was found for the vinyl phosphonates after laser irradiation. Such a sizeable difference in inhibition values for different isomeric states is a critical factor, which opens the way toward promising applications of vinyl phosphonates as photopharmacological agents.
Laser Interfaced Mass Spectrometry of the Sunscreen Molecule Octocrylene Demonstrates that Protonation Does Not Impact Photostability
Authors: Anstöter Cate S. , Wong Natalie G. K. , Selwe Kgato P. , Dessent Caroline E. H. 
Published: August 2023

AbstractOctocrylene (OCR) is a widely used organic sunscreen molecules, and is a dominant component of many sunscreen formulations. Here, we perform the first measurements on the protonated form of OCR, i. e. [OCR+H]+, to probe whether protonation affects the molecule's photostability. The novel photochemical technique of UV laser‐interfaced mass spectrometry is employed from 400–216 nm, revealing that the electronic absorption spectrum of OCR across the S1 and S2 states red shift by 40 nm upon protonation. Our measurements reveal that [OCR+H]+ predominantly undergoes photofragmentation into the m/z 250 and 232 ionic products, associated with loss of its bulky alkyl side chain, and subsequent loss of water, respectively. We compare the photochemical fragmentation results with higher‐energy collisional dissociation results to investigate the nature of the photodynamics that occur following UV absorption. The excited state decay pathways over the S1 and S2 excited states of [OCR+H]+ are associated with statistical fragmentation in line with dominant ultrafast decay. This behaviour mirrors that of neutral OCR, demonstrating that protonation does not affect the ultrafast decay pathways of this sunscreen molecule. We discuss our results in the context of the known breakdown of OCR into benzophenone, identifying a potential photoactivated pathway to benzophenone formation in solution.
Differentiation and Subculturing of Renal Proximal Tubular‐like Cells Derived from Human iPSC
Authors: Meijer Tamara , Naderlinger Elisabeth , Jennings Paul , Wilmes Anja 
Published: August 2023

AbstractRecently, we have developed a protocol to differentiate human induced pluripotent stem cells (iPSC) into proximal tubular‐like cells (PTL) (Chandrasekaran et al., 2021). These cells express proximal tubular‐specific markers, including megalin, and form a polarized monolayer expressing tight junction proteins, including ZO‐3 and occludin. Furthermore, PTL display functional properties, including megalin‐facilitated endocytosis, P‐glycoprotein (ABCB1) efflux, and respond to parathyroid hormone. Here, we report step‐by‐step protocols to culture iPSC prior to differentiation (Basic Protocol 1), to differentiate PTL from iPSC (Basic Protocol 2), and to passage and freeze‐thaw PTL (Basic Protocol 3). Additionally, we provide a protocol (Basic Protocol 4) to culture PTL on microporous growth supports (transwells). Immunofluorescence stainings for characteristic markers, including megalin, are shown for unpassaged (Basic Protocol 2) and passaged (Basic Protocol 3) PTL. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: iPSC cultureBasic Protocol 2: iPSC‐derived PTL differentiationBasic Protocol 3: PTL passaging, culturing, and freezingBasic Protocol 4: PTL culturing on transwellsSupport Protocol 1: Preparation of Geltrex‐coated cell culture platesSupport Protocol 2: Preparation of RPTEC/TERT1 or fHDF/TERT166‐ECM‐coated cell culture platesSupport Protocol 3: Preparation of human collagen IV‐coated cell culture platesSupport Protocol 4: Immunofluorescence staining
First‐Principles Study on X (Co, In, Ni, Pd, Ge, Ca) Doping on the Structural Stability and Mechanical Properties of AlCu.
Authors: Yang S.N. , Liu M.M. , Gan G.Y. , Zhou X.L. 
Published: August 2023

AbstractThe stability, mechanical property, electronic structure, and Debye temperature of Al‐Cu‐X ternary compounds formed by X (Co, In, Ni, Pd, Ge, Ca) doped AlCu are systematically studied by first‐principles calculations based on density functional theory (DFT). The cohesive energy and formation enthalpy results of Al‐Cu‐X show that the structure is thermodynamically stable, which are consistent with the data previously reported. Elastic modulus results that are estimated by Voigt‐Reuss‐Hill approximation. It shows that Co, Ni, and Pd increase the bulk modulus of AlCu, while In, Ge, and Ca decrease the bulk modulus of AlCu. Co, In, Ni, Pd, Ge, and Ca decrease the shear modulus and Young's modulus of AlCu. In addition, the anisotropy of Al‐Cu‐X is studied by different anisotropy indexes and Young's modulus spatial distribution figure. The electronic structures of Al‐Cu‐X ternary compounds are calculated and analyzed. It shows that the Co, In, Ni, and Pd elements are mainly hybridized with the Cu‐d orbital, while Ge and Ca are hybridized with the Al‐p orbital. Moreover, the sound velocity and Debye temperature of Al‐Cu‐X are discussed.
Conservation of crop wild relative diversity in Northeast Africa: Checklist and prioritization
Authors: Aldow Ahmed , Brehm Joana Magos , Kordofani Maha , Abdoul‐latif Fatouma , Maxted Nigel 
Published: August 2023

AbstractCrop wild relatives (CWR) are an important source of genetic diversity useful for crop improvement. This study was conducted to create both a checklist and a priority inventory of CWR in Northeast Africa. A partial CWR regional checklist was obtained by combining the floras of Djibouti, Ethiopia and Eritrea, Somalia, South Sudan, and Sudan for priority crop genera. It includes 1020 taxa belonging to 39 families and 130 genera, and about 80% of these taxa are native. The families with the highest number of CWR were the Poaceae (334) and Fabaceae (202). The checklist was then prioritized based on the social and economic value of the related crops using the Food and Agriculture Organization Corporate Statistical Database and the potential use of CWR for crop improvement using the crop gene pool or taxon group concepts. These criteria were applied to the checklist via a serial method to generate a prioritized inventory of 97 CWR taxa belonging to 19 families and 44 genera. Forty‐three percent of these taxa occur in more than two countries and additionally 32% in Eritrea and Ethiopia, 18% in Sudan and South Sudan, and 7% in Somalia. For crop improvement, 20% of the taxa have confirmed uses, 23% have recorded potential uses, and 28% have both confirmed and potential uses. This prioritized list includes important CWR taxa related to regionally important food crops such as sorghum and teff, as well as providing a foundation for further conservation studies by conservationists and breeders in this region and worldwide.
The role of CSR in sustaining corporate brands in the global market: The perspective of telecommunication companies in Ghana
Authors: Wu Xiaodan , Amoasi Richard 
Published: August 2023

AbstractIn recent years, the concept of corporate social responsibility (CSR) has gained significant attention. Companies now utilize CSR to strengthen their relationships with stakeholders and gain a competitive advantage. While CSR is more widely embraced in developed countries, developing markets like Ghana often overlook its potential benefits. This study examines the direct impact of CSR elements on brand sustainability. Additionally, it explores the moderating role of absorptive capacity in the relationship between brand sustainability and CSR. Data was collected from three hundred and fifty (350) questionnaires distributed to employees of Ghana's three most widely used telecommunications networks. The measurement model and hypothesis testing were evaluated using structured equation modeling PLS. The research findings indicate that CSR initiatives have positive and significant effects on the sustainability of social, environmental, and brand systems. Specifically, the economic dimension exhibited a negative correlation with brand sustainability in the MTN network, while the social dimension showed a positive relationship with each telecommunications network separately. The study concludes that absorptive capacity positively influences brand sustainability across all networks. Furthermore, the findings suggest that absorptive capacity beneficially modifies the environmental component of CSR and brand sustainability. Based on the study, it is recommended that service managers make concerted efforts to enhance customers' perception of the company's social concerns through various CSR initiatives.
Beyond profits: The linkages between local embeddedness, social legitimacy, and corporate philanthropy in the mining industry
Authors: Adomako Samuel , Tran Mai Dong 
Published: August 2023

AbstractDespite the growing body of research on corporate philanthropy, there remains a lack of understanding regarding how local embeddedness impacts the philanthropic activities of firms. Our study addresses this gap in the philanthropy literature by proposing and testing a model that elucidates this mechanism. Drawing on data from 166 firms operating in the mining industry, our findings indicate that local embeddedness has a positive effect on a firm's social legitimacy. However, we also discovered that this relationship is amplified when there is greater legal inefficiency. Additionally, our results demonstrate that a firm's social legitimacy serves as a mediator in the relationship between local embeddedness and corporate philanthropy. The theoretical and practical implications of these findings are discussed in detail.
Characterization of the lysergic acid diethylamide analog, 1‐(thiophene‐2‐carbonyl)‐N,N‐diethyllysergamide (1T‐LSD) from a blotter product
Authors: Tanaka Rie , Kawamura Maiko , Mizutani Sakumi , Kikura‐Hanajiri Ruri 
Published: August 2023

AbstractRecently, lysergic acid diethylamide (LSD) analogs have appeared worldwide as designer drugs. In this study, we identified a distributed LSD analog from a paper‐sheet product. Gas chromatography–mass spectrometry (GC‐MS), liquid chromatography–photodiode array–mass spectrometry (LC‐PDA‐MS), and liquid chromatography with hybrid quadrupole time‐of‐flight mass spectrometry (LC‐QTOF‐MS) were used to analyze the sheet product. The sheet product claimed to contain 1‐(1,2‐dimethylcyclobutanoyl)‐N,N‐diethyllysergamide (1D‐LSD). However, an unknown compound was detected in the product together with tryptamine and L‐tryptophan methyl ester. This compound was isolated from the sheets and identified as 1‐(thiophene‐2‐carbonyl)‐N,N‐diethyl‐6‐methyl‐9,10‐didehydroergoline‐8β‐carboxamide (1‐thiophenoyl LSD; 1‐(2‐thienoyl)‐LSD, 1T‐LSD), using 1H, 13C nuclear magnetic resonance (NMR) spectroscopy and various two‐dimensional NMR techniques. 1T‐LSD was shown to have the thiophene‐2‐carbonyl group at the N1 position instead of the 1,2‐dimethylcyclobutane‐carbonyl group as claimed. The amount of 1T‐LSD (free base) in three individual unit from one sheet was determined to be 87–100 μg per unit using a proton‐specific quantitative NMR (1H‐qNMR) method. Deacylation of 1T‐LSD to LSD was also observed to occur in methanol‐d4 during NMR analysis. The UV spectrum of 1T‐LSD differed from that of other LSD analogs, and the fluorescence sensitivity was much lower. Because of concerns about the future distribution of products containing new LSD analogs, continued monitoring of newly detected compounds in sheet products is encouraged.