bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Hollowed‐Out Heterometallic Cluster for Catalytic Knoevenagel Condensation
Authors: Chen Wanmin , Xu Na , Qin Lei , Deng Yi‐Fei , Zhuang Gui‐Lin , Zhang Zhe , Xie Ting‐Zheng , Wang Pingshan , Zheng Zhiping 
Published: November 2024

AbstractLanthanide‐containing clusters are synthetically challenging and with significant chemical and materials applications. Herein, two isostructural heterometallic clusters of the formula (NO3)12@[Ln132Ni78(OH)292(IDA)48(CH3COO)96(NO3)12(H2O)78]Cl44⋅xH2O⋅yCH3OH (IDA=iminodiacetate; Ln=Gd 1, x=110, y=0; Ln=Eu 2, x=95, y=40) were obtained via co‐hydrolysis of Ln3+ (Gd3+ or Eu3+) and Ni2+ in the presence of iminodiacetate (IDA). Crystallographic studies show that each features a truncated tetrahedral core of Ln132Ni78 within which a void of 1.1 nm in diameter; connecting the central cage and its exterior are four trumpet‐like passageways surface‐decorated with dinuclear units of [Gd(μ3‐OH)2Gd]. Mass spectroscopic analyses indicate that both clusters maintained their structural integrity in aqueous solution, with cryo‐electron microscopy providing the most convincing visual evidence in support of the cluster‘s solution stability. Size‐selective Knoevenagel condensation, believed to occur in the passageways on the basis of experimental and molecular modeling results, was achieved in the presence of 1. The application of 1 as a uniquely structured molecular reactor and a recyclable heterogeneous catalyst was further illustrated by the one‐pot three‐component synthesis of biologically and pharmaceutically significant 4H‐pyran derivatives.
Dendritic Molecular Baskets for Selective Binding of Toxic Methotrexate
Authors: Kumar Nitesh , Finnegan Tyler J. , Taneja Sagarika , Rostam Darian C. , Hansen Alexandar L. , Ward Carson E. , Uçar Sefa , Parquette Jon R. , Badjić Jovica D. 
Published: November 2024

AbstractWe describe the preparation, assembly, recognition characteristics, and bioactivity of dendritic basket 612−. This novel cavitand has a deep aromatic pocket with three (S)‐glutamic acid dendrons at the rim to amplify water solubility and prevent self‐association. 1H NMR spectroscopy, calorimetry (ITC), and mass spectrometry (ESI‐MS) measurements validate the formation of an inclusion complex between 612− and anticancer drug methotrexate (MTX2−) in water (Kd=9.2 μM). To identify the docking pose, a comparison of computed (DFT and MM) and experimental 1H NMR chemical shifts suggests that MTX2− folds inside 612− (π⋅⋅⋅π), forming HBs with the peptidic dendrons while anchoring (C−H⋅⋅⋅π) to the aromatic pocket through its N‐methyl group. In consequence, 612− selectively binds MTX2− in competition with structurally similar folic acid and leucovorin (reversal poisoning agent). While the host is biocompatible (HEK293; IC50>150 μM) and produces inclusion complex [MTX⊂6]14− in cell media, it experiences limitation in pharmacokinetic sequestration of MTX2− as dihydrofolate reductase's affinity to the drug is suggested to prevail over that of 612−. Nonetheless, considering the basket's biocompatibility, tunability, and chemoselectivity, it stands as the leading candidate in the pursuit of an effective abiotic antidote for methotrexate poisoning.
The profound influence of the North Atlantic Ocean on Northeast Asia: A comprehensive multi‐model study
Authors: Monerie Paul‐Arthur , Dong Buwen , Sun Weiwen , Zhang Lixia 
Published: November 2024

AbstractWe assess the effects of the North Atlantic Sea surface temperature multidecadal variability on Northeast Asia using a set of sensitivity experiments (with a total of 530 ensemble members). We show that a warming of the North Atlantic Ocean leads to a strong and robust increase in temperature over Northeast Asia, which is replicated by a large majority of ensemble members. We show that the effect of the North Atlantic on Northeast Asia is model and season‐dependent. We focus on two seasons, for which response to the North Atlantic Ocean is the most robust (autumn) and the less robust (spring) as indicated by the number of models that simulate a statistically significant change in surface air temperature. We use a clustering method to identify the sources of differences between models in simulating the effects of warming in the North Atlantic. We find that the primary mechanism linking the North Atlantic to Northeast Asia is a perturbation of the circumglobal teleconnection pattern (i.e., of the upper tropospheric atmospheric circulation), which allows modulation of the near‐surface atmospheric circulation and an increase in temperature over East Asia. A second mechanism is related to the influence of the North Atlantic on the Pacific Ocean and the resulting effects on atmospheric circulation over Northeast Asia.
Does money motivate prospective foster parents? Are responses from high vs. low‐income towns different? Evidence from Google advertising
Authors: Roy Subroto , Roy Jayanti 
Published: November 2024

AbstractRecruiting foster parents is a worldwide challenge. In the US, foster parents are supposed to volunteer but receive stipends to cover the cost of foster children. Thus, Foster Care agencies hesitate to highlight the Stipend in their recruitment messaging to prospective foster parents. This hesitation is to weed out extrinsically (stipend) motivated prospective parents early in the application, training and licensing process.The first step in foster parent recruitment is to start the conversation between prospective foster care parents and foster parent recruiters.Extant research has relied on current or former foster parents to find their motivations for fostering and continuing to foster. We believe ours is the first study to empirically examine whether mentioning money (stipend) early in the recruitment process makes a difference in the response of prospective foster parents.The research reports Google ads data from two foster parent recruitment campaigns. These Google search ads showed when “foster parenting” related words were Googled. One ad had the word “stipend,” and the other did not. We then examine differences in response between high and low‐income towns. Next, we analysed differences in click behaviour over 207 days between the two versions of the ads. We then examined differences in click behaviour between residents of high and low‐income towns. We used the t‐test to test for differences in our data analysis approach.We find no statistical difference in response between the ads that mention ‘stipend’ and those that do not (t = 0.64, p = 0.26). However, residents of low‐income towns are five times more likely to click on a foster parent ad than residents from high‐income towns, irrespective of whether the stipend is mentioned in the ad (without mentioning stipend: t = 3.21, p = 0.0008; mentioning Stipend: t = 3.77, p = 0.0001).
Smart Shopping Carts in Food Retailing: Innovative Technology and Shopping Experience in Stationary Retail
Authors: Schultz Carsten D. , Zacheus Patrick 
Published: November 2024

ABSTRACTIn the development of the Internet of Things, smart shopping carts present a digital innovation that can realize cost‐cutting potential and improve the shopping experience. The impact of smart shopping carts on customers' shopping experience is analyzed in stationary grocery retailing. We explore first whether customers are willing to use these technological innovations, specifically smart shopping carts. Second, the effect of smart shopping carts on customers' shopping experiences is evaluated. For this, we employed a mixed method approach combining a survey study and an interview follow‐up study. A purposive sampling recruited 291 stationary grocery shoppers. A variance‐based structural equation analysis tests the research model for the adoption of smart shopping carts and their relevance to customers' shopping experience. Next, 22 interviews were conducted with grocery shoppers following an intervention approach. Customers are willing to use smart shopping carts when shopping for groceries in stationary retailing. Customers focus on the ease of use and usefulness of the shopping carts, whereas privacy risk and temporary enjoyment are less relevant. However, our empirical results show that affective, social (employee), and physical components predominantly shape the shopping experience compared with the technical component of smart shopping carts. Smart shopping carts similarly affect the cognitive component and the social (customer) component. In contrast to other digital retail innovations, customers seem to value utility of smart shopping carts above else. Stationary retailers can, thus, focus their introduction of smart shopping carts on countering technology anxiety and highlighting customer benefits of shopping comfort and reduced checkout times.
When Gain/Loss Framing Exerts Its Effects and How: Examining the Roles of Risk Perceptions, Anticipated Regret, and Anxiety
Authors: Kim Jarim 
Published: November 2024

ABSTRACTOver the past 30 years, gain/loss framing has received substantial scholarly attention from advertising researchers. Nevertheless, its effects are not yet fully understood, and further research is required to clarify mixed findings reported in previous studies. In response to this gap in the literature, this study examined the mechanisms through which risk perceptions affect gain/loss framing effects, using two experiments involving different levels of risks. Experiment 1, which involves low risk, showed that gain framing was more effective for consumers with stronger risk perceptions. However, this advantage disappeared when consumers' risk perceptions were weak. In Experiment 2, which involves high risk, loss framing was more effective for consumers with weaker risk perceptions; however, these effects disappeared when consumers' risk perceptions were very strong. The study also revealed that anticipated regret mediates the interaction effects of framing and risk perceptions on attitudes and intentions. The findings of this study suggest that risk perceptions may help explain the inconsistent results reported in previous research.
Catalyst Based on Palladium‐Modified MIL‐53(Al) Pyrolysate for ORR in Alkaline Media
Authors: Yu Vinogradov K. , Shafigulin R. V. , Davydov V. A. , Tokranova Е. О. , Korchagin О. V. , Radina M. V. , Sokolov А. V. , Bulanova А. V. 
Published: November 2024

AbstractA catalyst for the oxygen reduction reaction (ORR) based on the metal‐organic framework material MIL‐53(Al) modified with palladium was synthesized. Its textural and morphological characteristics were studied using the method of adsorption porosimetry, scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X‐ray analysis (EDAX), X‐ray diffraction (XRD), Raman spectroscopy, X‐ray photoelectron spectroscopy (XPS), and thermogravimetric analysis (TGA‐DSC). The electrocatalytic properties of the synthesized material in ORR were studied by voltammetry, using a rotating disk electrode. Corrosion resistance was studied in the CV mode. It was found that the synthesized catalyst is characterized by high corrosion resistance. The tolerance of synthesized catalyst Pyr_MIL‐53(Al)_Pd to the methanol was studied. The obtained catalyst was studied in a membrane electrode assembly (MEA) formed by spraying an ionomer suspension onto a gas diffusion layer (GDL). The synthesized Pyr‐MIL‐53 (Al)_Pd and commercial platinum (60% Pt) (HiSPEC 9100) catalysts were compared in the cathode composition, and 10% PtM (M = Ni, Mo)/CNT catalysts were used on the anode. The power density of the FC (P) was calculated based on the obtained current‐voltage curves. Based on the set of characteristics, the synthesized catalyst based on MIL‐53 (AL) doped with palladium is superior in efficiency to the commercial platinum catalyst.
From In Situ Monitoring to Better Understanding of the Suzuki‐Miyaura Cross Coupling in the Solid State
Authors: Pajić Mario , Barišić Dajana , Babić Darko , Ćurić Manda , Juribašić Kulcsár Marina 
Published: November 2024

AbstractEffects of various Additives, Base, Catalyst, as well as substrates on the mechanochemically‐induced Suzuki‐Miyaura reaction have been studied. In situ Raman monitoring of the solid‐state reactions gave a detailed view of the reaction course and allowed a direct comparison of the time‐resolved product formation. The acquired knowledge allows in‐depth understanding of the reaction, especially the action of the catalyst in presence of diverse chemicals, leading to the more efficient cross coupling reactions in the solid state.
Decomposition Mechanism of Alkylidene Bridged Tetrazoles With Different Carbon Chain Lengths
Authors: Venugopal Sarika , Vargeese Anuj A. 
Published: November 2024

AbstractNitrogen‐rich heterocycles, particularly tetrazole‐based high‐energy density materials (HEDMs) offer high performance, low sensitivity, and are eco‐friendly. Despite the diversity of nitrogen‐rich energetic heterocycles, many are sensitive to external stimuli, and the introduction of a methylene, ethylene, or C−C linkage between nitrogen‐rich heterocycles is a successful strategy to improve mechanical sensitivity and thermal stability. Understanding the potential anomalous thermal or kinetic behavior of such molecules is crucial for the design of new HEDMs and practical applications of these molecules. We have investigated the influence of introducing an alkylidene bridge between the energetic nitrogen heterocycles on the decomposition mechanism and pathway of different bridged tetrazoles, namely 5,5’‐Bis‐1H‐tetrazole, 1,2‐Bis(5‐tetrazolo)methane, and 1,2‐Bis(5‐tetrazolo)ethane, using thermal experiments, mass spectrometry, and computational analysis. Kinetic parameters were evaluated using a non‐linear integral method, and decomposition pathways were proposed based on mass fragmentation data. Stability comparisons were made using HOMO‐LUMO gap and electrostatic potential (ESP) values from computational calculations.
If You Give a Therapist a Network: A Qualitative Analysis of Therapists' Reactions to Their Patients' EMA‐Based Network Models
Authors: Hall Mila , Wagner Annika A. , Scherner Paloma V. , Rubel Julian A. 
Published: November 2024

ABSTRACTObjectiveNetwork models hold much promise for use in the form of personalized feedback, which the TheraNet Project aims to investigate. In the present study, we share therapists' first reactions to patient network models based on ecological momentary assessment (EMA) data.MethodTherapists (N = 24) were taught to interpret the network models based on their patient's data. They were provided with concrete use suggestions at the end of the workshop. The workshops were analysed using descriptive qualitative content analysis. The resulting codes were then grouped thematically.ResultsTherapists spoke about using the networks for “case conceptualization”, “therapy planning”, and “psychoeducation”, but also commented on the “study design”. Before the concrete suggestions, therapists most frequently voiced thoughts on its uses for “case conceptualization”. After the suggestions, “psychoeducation” was mentioned most frequently.ConclusionsTherapists intuitively connected network models to case conceptualizations. Once concrete suggestions were provided, therapists more frequently discussed networks as psychoeducative tools.
The effect of CSR on corporate financial performance, considering the role of female representation in the retail industry
Authors: Izadi Javad , Shetra Manita Kaur , Foroudi Pantea , Palazzo Maria 
Published: November 2024

AbstractThe aim of this study is to examine relationships between CSR and corporate financial performance, considering the role of board diversity in retail industry in the UK. The theories examined include Friedman's theory and Stakeholder theory, which have conflicting ideas on whose needs a company should serve. Quantitative methodology is utilized to capture sample data comprising 10 years of financial data. Data were collected on companies listed on the FTSE 100 during 2012–2021 that were operating in the UK retail sector. This study uses regression analysis to test the hypothesis that analyses the relationship between CSR, gender diversity, and financial performance. There is no significant relationship between gender diversity and financial performance. The number of female directors on the board does not impact financial performance, so the regression analysis does not allow us to reject the null hypothesis. Instead, past performance, sales growth, and leverage impact financial performance.
Hydrogen and Solid Carbon Production via Methane Pyrolysis in a Rotating Gliding Arc Plasma Reactor
Authors: Ali Zulfiqar , Song Hohyun , Trieu Nguyen Uyen Nhat , Shim Hyung Cheoul , Lee Seung‐Mo , Majeed Muhammad , Lee Dae Hoon 
Published: November 2024

AbstractPlasma‐induced methane pyrolysis is a promising hydrogen production method. However, few studies have focused the decomposition of pure methane as a discharge gas. Herein, a rotating gliding arc reactor was used for the conversion of methane (discharge gas and feedstock) into hydrogen and solid carbon. Methane conversion, gaseous product selectivity, and energy usage efficiency (specific energy requirement for hydrogen production (SER)) were investigated as functions of operating parameters, e. g., specific energy input (SEI), residence time, and reactor design. SEI was positively (almost linearly) correlated with methane conversion and hydrogen yield and negatively correlated with SER. Conversion and efficiency of energy usage increased when reactor designs providing higher thermal densities were used. With the increasing flow rate of methane at constant SEI, the reaction volume and, hence, the effective residence time of the gas inside the reaction zone increased, which resulted in methane conversion and hydrogen selectivity enhancement. The solid carbon featured four distinct domains, namely graphitic carbon, turbostratic carbon, multi‐layer graphene, and amorphous carbon, which indicated a nonuniform temperature distribution in the reaction zone. But it seems that graphitic carbon dominates amorhphous one. This study highlights the potential of rotating gliding arc plasma systems for efficient methane conversion into hydrogen and valuable solid carbon products.
Respective Advantages of Growing Different Green Manure With Nitrogen Fertilization in Cotton‐Based Cropping Systems: Insights From a Three‐Year Field Study
Authors: Zhang Zhenggui , Wang Jian , Huang Weibin , Han Yingchun , Wang Guoping , Feng Lu , Li Xiaofei , Xiong Shiwu , Xin Minghua , Li Yabing , Wang Zhanbiao 
Published: November 2024

ABSTRACTPlanting green manure to improve cash crop yield and soil health has been widely recognized, and understanding cash crop performance after green manure integration is pivotal for determining its potential to bolster and enhance crop productivity and sustainable production. However, it is unclear whether the effects of different types of green manure on subsequent cash crops are uniform. In order to clarify this issue, we systematically analyzed the effects of green manure types and nitrogen (N) application rates on succeeding cotton agronomic performance, yield, biomass, yield stability, and nutrient uptake. A split‐plot experiment with two factors was designed, main factor includes four cover cropping systems monoculture cotton (MC), February orchid/cotton cover cropping (FoC), hairy vetch/cotton cover cropping (HvC), and a mixture of February orchid and hairy vetch/cotton cover cropping (FHC), and sub‐main factor include four N application levels (0 (N0), 112.5 (N1), 168.75 (N2), and 225 (N3) kg N ha−1). Results suggests that nonlegume green manure (February orchid) accumulated more biomass, N, P, and K nutrients than the legume green manure (hairy vetch) and green manure mixture. Compared with cotton yield of MC, the FoC, HvC, and FHC system increased by 5.8%, 7.6%, and 15%, respectively. N use efficiency was more significantly influenced by the N application rates than by cropping systems. Specifically, as N application rates increased, N use efficiency decreased under MC, HvC, and FHC systems, while it increased under the FoC system. Additionally, we observed a trade‐off between cotton yield and yield stability, with the highest yield stability when cotton yield reached 2633 kg ha−1. This study provides evidence that nonlegume green manure (February orchid) with greater advantages on cotton vegetative organ growth, legume green manure (hairy vetch) can promote nutrient uptake compared to other green manure, while green manure mixture (February orchid and hairy vetch mixture) significantly increased cotton yield and yield stability. These findings provide evidence‐based insights highlighting the respective benefits of incorporating diverse species of green manure into cotton‐based cropping systems in the Yellow River Basin of China.
Using Horizon Scanning to Build Policy Resilience: Case of Waste Crime
Authors: Garnett Kenisha , Wilson Alister , Wilkinson Edith 
Published: November 2024

ABSTRACTWaste crime is a pressing concern for the waste and resource industry as it is undermining investment, growth and jobs within the industry and threatening the natural environment. However, there is little knowledge of the scale of the problem, the types of criminality and motivations involved, and the precise nature of crime. Environmental regulators are building foresight capabilities to better understand the effect of current and future changes in markets, in technology and in the legislative environment on waste crime and associated behaviours. At the heart of this paper is the question: how can horizon scanning be adopted by environmental regulators to shape decision processes and build resilience to waste crime? We report our efforts to build a toolkit and guidance for conducting horizon scanning, aimed at supporting environmental regulators, investigators and intelligence analysts to build an understanding of—and interpretation of the consequences of—behavioural, market, technological and pollution trends in the waste sector. A review of the academic and grey literature provided insights to organisational approaches and design principles for public sector horizon scanning. Outputs guided discussion at a stakeholder workshop with waste regulators, criminal intelligence and industry professionals to explore institutional challenges and to agree broad design principles for a horizon scanning process. The toolkit supports environmental regulators in applying horizon scanning to policy and wider operational and delivery‐focused challenges; learning how to: (1) spot weak signals and emerging trends quickly, (2) examine the evidence around potential threats and opportunities for the future, and (3) take action on strategically important issues to minimise the impact of crime on the environment, society and business. The paper sets out further research needed to integrate horizon scanning with data analytics (e.g., predictive and hotspot analyses) to challenge assumptions about the patterns of change, based largely on historical trends, and to better manage these so there is greater adaptability to current and future trends.