bluuebunny/crossref_metadata_2025_split huggingface dataset:
para–Phenylenediamine Dimer as a Redox–Active Guest for Supramolecular Systems
Authors: Janovský Petr , Springer Andreas , Filip Jaroslav , Prucková Zdeňka , Nečas Marek , Rouchal Michal , Schalley Christoph A. , Vícha Robert 
Published: February 2024

AbstractRedox–active components are highly valuable in the construction of molecular devices. We combined two p‐phenylenediamines (p‐PDA) with a biphenyl (BiPhe) unit to prepare a supramolecular guest 4 consisting of three binding sites for cucurbit[7/8]uril (CBn) and/or cyclodextrins (CD). Supramolecular properties of 4 were investigated using NMR, UV‐vis, mass spectrometry and isothermal titration calorimetry. Our analysis revealed that 4 forms higher–order host–guest complexes, wherein a CD unit occupies the central BiPhe site, secured by two CBn units at the terminal p‐PDA sites. Additionally, 1 : 1 complexes with α‐CD and β‐CD, a 1 : 2 complex with γ‐CD and 2 : 1 complexes with CB7 and CB8 were identified. Through UV‐vis and cyclic voltammetry, redox processes leading to the formation of a stable, deep blue dication diradical of 4 are elucidated. Furthermore, it is demonstrated that CB7 selectively protects oxidised 4 from reduction in the presence of a reducing agent. The supramolecular and redox properties of the structural motif represented by 4 render it an interesting candidate for the construction of supramolecular devices.
The structure of deposited coke on hydrocracking and reforming catalysts: Coke deactivation and kinetics
Authors: Shakor Zaidoon , Alasseel Ahmed , Al‐Shafei Emad 
Published: February 2024

AbstractThis comprehensive study investigates the structural deposition of coke, particularly its association with sulphides, in spent hydrocracking and reforming catalysts, leveraging advanced kinetic modelling and characterization techniques. Its objective is to elucidate coke removal kinetics, offering insights into optimizing catalyst regeneration. Utilizing thermogravimetric analysis, spectroscopic methods, and modelling, the research outlines the characteristics and kinetic behaviour of coke during regeneration. The novelty aspect of this study is the use of a reaction‐based model for accurate kinetic analysis and identifying optimal conditions for coke removal. The study recognized both hydrogen‐deficient and hydrogen‐rich amorphous coke, alongside graphitic coke spent catalysts. Thermogravimetric analysis revealed that coke constitutes ~23.8% and 4.6% of the total weight in hydrocracking and reforming catalysts, respectively. The traditional model‐free method for deactivation was found inadequate in predicting coke in the spent reforming catalyst, likely due to the presence of low‐temperature hydrocarbons of soft coke within the catalyst pores. In contrast, a reaction model‐based deactivation approach yielded more consistent evaluations for soft and hard coke of spent catalyst. For the spent hydrocracking catalyst, the estimated activation energies for coke decomposition were 41.56 and 128.97 kJ/mol for soft and hard coke, respectively, during regeneration. Although the coke in the spent reforming catalyst displayed similar temperature trends for decomposition, the average activation energies were 52.61 and 128.62 kJ/mol for soft and hard coke, respectively. The theoretical results from the multi‐reaction model for coke decomposition are consistent with the experimental results for both catalysts.
Performance of Ni/Si‐MCM‐41 catalysts in CO2 methanation
Authors: Trevisan Sergio Vitor Cavalcanti , Oliveira Lígia Gomes , de Andrade Schaffner Rodolfo , Yamamoto Carlos Itsuo , Alves Helton José 
Published: February 2024

AbstractThe production of methane from the methanation reaction between H2 and CO2, also known as the Sabatier reaction, is one way to diversify the global energy matrix, providing a use for CO2. This work evaluates the performance in this reaction of Ni catalysts supported on type MCM‐41 silica, synthesized y a wet impregnation method. Catalytic tests were performed for 2.5 h under atmospheric pressure. The reaction variables considered were the catalyst nickel mass content (5% and 10%), temperature (T = 400 and 550°C), reactant ratio (H2/CO2 = 4 and 2.5), and space velocity (VHSV = 5 and 10 L g−1 h−1). The catalysts were characterized by Brunauer–Emmett–Teller (BET), X‐ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive x‐ray spectroscopy (EDS) analyses before the reactions, and by thermogravimetric analysis (TGA), SEM, and EDS analyses after the reactions. The reaction variables were evaluated using an experimental design with 2 factors and 4 variables, in order to determine the effects of the reaction conditions on catalyst selectivity, reactant conversion, and reaction yields in terms of CH4 and CO. The best result was obtained using a reactant ratio of 2.5, space velocity of 5 L g−1 h−1, and reaction temperature of 550°C, resulting in 93.7% selectivity for methane, 69.4% CO2 conversion, 74% H2 conversion, and methane yield of 20.69%. Findings show Ni/Si‐MCM‐41 catalyst's applicability in methanation, advancing CH4 production technology, and addressing local demand while reducing CO2 emissions.
Energy transition: Assessing oil companies' compliance with their disclosed environmental strategic positioning
Authors: Berrêdo Paula Danyelle , dos Santos Odilanei Morais , Abdo Hafez , da Silva Macedo Marcelo Álvaro , Losekann Luciano Dias 
Published: February 2024

AbstractBased on the greenwashing approach in line with legitimacy theory, we examine first whether the strategic positioning of key oil companies is addressed by their disclosed commitments in their corporate reports and, second, whether the disclosures made by oil companies in relation to energy transition reflect their behavior. We use an ordinal logistic regression model in a sample of 38 oil companies, our findings suggest that the lower the investment in oil and gas exploration and production, and the smaller the variation in the volume of hydrocarbon reserves, the more likely a company narrates a strong commitment to the energy transition. Also, we consider that investments in fossil fuels need to be reduced significantly to accelerate the transition to cleaner and sustainable energy sources, and it is vital to observe the alignment of disclosed commitments by companies to the transition and their behavior, avoiding the accusation of greenwashing practices.
Improving rate wireless sensor network with collaborative energy among nodes with fusion center and multiple antennas sensors using game theory and energy harvesting
Authors: Choubin Morteza , Choobin Mohammadreza 
Published: February 2024

SummaryThis paper investigates optimizing the collaborative energy power consumption between nodes with energy harvesting (EH) capability at the fusion center (FC) and multi‐antenna sensors using game theory. Using multi‐antennas at FC on sensor networks (SNs), we can benefit from the spatial diversity in receiving the data and using multi‐antenna sensors and energy to transfer the data and optimize the SN, respectively. Also, in this paper, the data transmission in the network is formulated by considering the limitations of storage resources of each sensor, minimum data receiving, minimum EH, and maximum collaboration among sensors. In this paper, some modes are suggested to minimize the collaborative energy among sensors for transmitting the data and energy among sensors in the collaboration of sensors to optimize the power control and allocation power policy. Suggestions have been studied based on the number of antennae to transmit, using the cooperative games in sharing the data and the energy and auction game in transmitting to FC. The simulation results of the proposed problem using MATLAB software show optimization in participation function, EH, allocation in cooperation time, and transferring to FC to improve the detection of the transmitted data based on the increasing number of antennas in FC.
Associations of social and cognitive‐behavioral variables with disinhibited eating and anxiety: An ecological momentary assessment study
Authors: Gutierrez‐Colina Ana M. , Aichele Stephen , Lavender Jason M. , Sanchez Natalia , Thorstad Isabel , Gulley Lauren D. , Emerick Jill E. , Schrag Ruby , Thomas Victoria , Spinner Holly , Arnold Thomas , Heroy Andrew , Haigney Mark C. , Tanofsky‐Kraff Marian , Shomaker Lauren B. 
Published: February 2024

AbstractObjectiveAmong adolescents, disinhibited eating and anxiety commonly co‐occur. Precision intervention approaches targeting unique mechanistic vulnerabilities that contribute to disinhibited eating and anxiety may therefore be helpful. However, the effectiveness of such interventions hinges on knowledge of between‐ and within‐person associations related to disinhibited eating, anxiety, and related processes.MethodA sample of 39 adolescent females (12–17 years) with elevated anxiety and above‐average weight (BMI %ile ≥ 75th) completed measures of theoretically driven social and cognitive‐behavioral variables, disinhibited eating, and anxiety via ecological momentary assessment over 7 days. Data were analyzed using mixed‐effects models.ResultsBetween‐person differences in social stressors were linked to emotional eating, eating in the absence of hunger, and anxiety, whereas between‐person differences in negative thoughts were associated with all disinhibited eating variables and anxiety. Between‐person differences in avoidance were not related to any outcome. Additionally, between‐person differences in social stressors and negative thoughts—as well as within‐person deviations (from person‐average levels) of social stressors, negative thoughts, and avoidance—were associated with anxiety. In turn, between‐person differences in anxiety predicted eating in the absence of hunger and emotional eating, and within‐person deviations in anxiety were associated with emotional eating at any given time point.DiscussionFindings support elements of both the interpersonal and cognitive‐behavioral models of disinhibited eating. Differential trigger effects on anxiety, both at the between‐ and within‐person levels, and significant associations between anxiety and all eating‐related outcomes, highlight the potential utility of interventions targeting individual differences in sensitivity to anxiety triggers.Public SignificanceFindings provide support for the interpersonal and cognitive‐behavioral models of disinhibited eating, highlighting anxiety as a salient vulnerability and potential mechanistic factor underlying disinhibited eating. Social, cognitive, and behavioral variables were differentially related to anxiety across participants, suggesting potential for future intervention tailoring and intervention selection based on adolescents' sensitivity to anxiety as a trigger for disinhibited eating behavior.
Comparison of traditional and molecular surveys of fish biodiversity in southern Te Wāhipounamu/Fiordland (Aotearoa/New Zealand)
Authors: Czechowski Paul , de Lange Michel , Heldsinger Michael , Kardailsky Anya , Rayment Will , Hepburn Christopher , Ladds Monique , Knapp Michael 
Published: February 2024

AbstractEffective management of biodiversity requires regular surveillance of multiple species. Analysis of environmental DNA (eDNA) by metabarcoding holds promise to achieve this relatively easily. However, taxonomy‐focused eDNA surveys need suitable molecular reference data, which are often lacking, particularly at the species level and for remote locations. To evaluate the comparability of environmental DNA surveys and traditional surveys in a real‐life case study in a marine area of high conservation value, we conducted a biodiversity survey of the fish in remote and pristine Te Wāhipounamu/Fiordland (Aotearoa/New Zealand), incorporating multiple data sources. We compared eDNA‐derived species identifications against Baited Remote Underwater Video (BRUV) data collected at the same time and locations as eDNA. We also cross‐referenced both eDNA and BRUV data against literature and the Ocean Biodiversity Information System (OBIS), with literature and OBIS data representing a summary of multiple traditional surveying approaches. In total, we found 116 fish species in our study area. Environmental DNA detected 43 species; however, only three of those species overlap with species known from the literature, OBIS, or our BRUV analyses. A total of 61 fish species were known from the region from the literature, while OBIS listed 28 species, and our BRUV analyses picked up 26 species. BRUV data coincided more strongly than eDNA data with literature and OBIS data. Twenty of the 26 species detected by BRUV were known from literature and OBIS. We argue that limitated DNA reference databases are the main cause of this discrepancy, and our results indicate that eDNA of rare and endangered species can be detected if matching reference data were available. Environmental DNA analyses can only identify species present among reference data and with relaxed taxonomic assignment parameters may converge on relatives of detected species if the actually existing species themselves are missing among reference data. However, the high number of species detected by our eDNA analyses confirms that eDNA could be a powerful tool for biodiversity surveys if suitable investments in local reference databases were made.
Reactivity of Electrophilic Trifluoromethylating Reagents
Authors: Timofeeva Daria S. , Puente Ángel , Ofial Armin R. , Mayr Herbert 
Published: February 2024

AbstractKinetics of the reactions of colored carbanions (reference nucleophiles) with S‐(trifluoromethyl)dibenzothiophenium ions (Umemoto's reagents) and hypervalent trifluoromethyl‐substituted iodine compounds (Togni's reagents) have been determined photometrically using stopped‐flow techniques. The second‐order rate constants k2(20 °C) for the reactions of Umemoto's sulfonium ions (generation I and II) with the reference nucleophiles in DMSO follow the correlation lg k2(20 °C)=sN(N+E) and can be used to determine the electrophilicity parameters E of these trifluoromethylating reagents. It is shown that the conditions reported for the reactions of Umemoto's generation I reagents with a variety of C‐nucleophiles are in line with the electrophilicity parameter E≈−13 determined for these reagents. Though Togni's hypervalent iodine‐based trifluoromethylation reagents do not follow this linear free energy relationship, the kinetics of their reactions with carbanions indicate that they cover the same reactivity range as Umemoto's generation I and II reagents.
Up in the air: Presence and collection of DNA from air and air conditioner units
Authors: Goray Mariya , Taylor Duncan , Bibbo Emily , Patel Dhruvi , Fantinato Chiara , Fonneløp Ane Elida , Gill Peter , van Oorschot Roland A. H. 
Published: February 2024

AbstractBiological material is routinely collected at crime scenes and from exhibits and is a key type of evidence during criminal investigations. Touch or trace DNA samples from surfaces and objects deemed to have been contacted are frequently collected. However, a person of interest may not leave any traces on contacted surfaces, for example, if wearing gloves. A novel means of sampling human DNA from air offers additional avenues for DNA collection. In the present study, we report on the results of a pilot study into the prevalence and persistence of human DNA in the air. The first aspect of the pilot study investigates air conditioner units that circulate air around a room, by sampling units located in four offices and four houses at different time frames post‐cleaning. The second aspect investigates the ability to collect human DNA from the air in rooms, with and without people, for different periods of time and with different types of collection filters. Results of this pilot study show that human DNA can be collected on air conditioner unit surfaces and from the air, with air samples representing the more recent occupation while air conditioner units showing historic use of the room.
A review of Li‐ion battery temperature control and a key future perspective on cutting‐edge cooling methods for electrical vehicle applications
Authors: Wankhede Sagar , More Kiran , Kamble Laxman 
Published: February 2024

AbstractCovid‐19 has given us a new way to look at our globe with regards to minimise air and noise pollution and thereby upgrading global environmental conditions. This positive pandemic outcome indicates that green energy is the future of energy, and one new origin of green energy is lithium‐ion batteries (LIBs). Electric vehicles are constructed with LIBs, but they have a number of disadvantages, including poor thermal performance, thermal runaway, fire dangers and a higher discharge rate in low‐ and high‐temperature conditions. The underlying fault of LIBs is their temperature reactivity. Extreme temperatures and challenging working circumstances can cause lithium‐ion cells to malfunction and cause the battery pack (BP) to overheat. For optimal performance in vehicles and long‐term LIB durability, LIBs must be thermally managed within their operating temperature span. This paper presents an overview of several cooling strategies used to maintain the internal BP temperature. This paper discusses cooling techniques using air, liquid and phase change material (PCM), heat pipe. Additionally, various BP configurations and heat generation techniques are explored. This research also discusses the usage of nanomaterials to address the BP's heat‐related problems. This study emphasises the use of nanomaterial to boost the heat conductivity of coolant in order to raise the batteries temperature into their ideal working range (PCM as well as liquid cooling). This article also provides some of the research gaps that have been found and the crucial areas on which attention should be directed in order to build the best lithium‐ion battery thermal management system technology.
Electric truck gravity energy storage: An alternative to seasonal energy storage
Authors: Hunt Julian David , Jurasz Jakub , Zakeri Behnam , Tong Wenxuan , Nascimento Andreas , Guo Fei , Đurin Bojan , Dąbek Paweł , Wada Yoshihide , van Ruijven Bas , Riahi Keywan 
Published: February 2024

AbstractThe global shift toward a sustainable and eco‐friendly energy landscape necessitates the adoption of long‐term, high‐capacity energy storage solutions. This research introduces an inventive energy storage concept involving the movement of granular materials from a lower elevation to a higher point within natural terrains such as mountains or excavated mining sites. Electrical energy is employed to charge electric batteries that elevate the granular material, thereby storing potential energy. Subsequently, this material is transported down during the electricity generation phase, and the regenerative braking mechanism converts the gravitational energy to replenish the vehicle's battery. The stored energy within these vehicles is then dispatched during peak demand periods or utilized by the vehicles for other freight transportation purposes. Our findings demonstrate a power cost of 1200 USD/kW, an energy storage expense spanning from 1 to 10 USD/kWh, a levelized cost of storage ranging from 35 to 200 USD/MWh, and a global annual potential of approximately 5.4 PWh. Electric vehicle gravity energy storage showcases its capability to bolster sustainable development by offering seasonal and multi‐year energy storage services.
Control of three‐level bidirectional buck‐boost converter for battery energy storage system in bi‐polar DC microgrid
Authors: Dodda Satish R. , Sandepudi Srinivasa R. 
Published: February 2024

AbstractThis paper deals with the model predictive current control of a three‐level bidirectional buck‐boost converter for a battery energy storage system in a bi‐polar direct current (DC) microgrid. It comprises a solar photovoltaic system, a wind energy system, a battery and DC loads. The proposed control scheme provides voltage balance and voltage regulation at the bi‐polar DC link during dynamic operating conditions, such as variations in solar irradiance, wind velocity and load. Predictive current control utilises the converter's discrete behaviour to identify the suitable switching states that minimise the cost function. Furthermore, bidirectional power flow capabilities allow the connection of energy storage devices, such as batteries and ultra‐capacitors, to the bi‐polar DC microgrid. The proposed system is verified through simulations and validated on a lab‐scale prototype. The results have been found satisfactory with respect to steady‐state error, peak overshoot, and settling time.
Anticoagulant Rodenticide Toxicity in Terrestrial Raptors: Tools to Estimate the Impact on Populations in North America and Globally
Authors: Elliott John E. , Silverthorn Veronica , English Simon G. , Mineau Pierre , Hindmarch Sofi , Thomas Philippe J. , Lee Sandi , Bowes Victoria , Redford Tony , Maisonneuve France , Okoniewski Joseph 
Published: February 2024

Abstract
Anticoagulant rodenticides (ARs) have caused widespread contamination and poisoning of predators and scavengers. The diagnosis of toxicity proceeds from evidence of hemorrhage, and subsequent detection of residues in liver. Many factors confound the assessment of AR poisoning, particularly exposure dose, timing and frequency of exposure, and individual and taxon-specific variables. There is a need, therefore, for better AR toxicity criteria. To respond, we compiled a database of second-generation anticoagulant rodenticide (SGAR) residues in liver and postmortem evaluations of 951 terrestrial raptor carcasses from Canada and the United States, 1989 to 2021. We developed mixed-effects logistic regression models to produce specific probability curves of the toxicity of ∑SGARs at the taxonomic level of the family, and separately for three SGARs registered in North America, brodifacoum, bromadiolone, and difethialone. The ∑SGAR threshold concentrations for diagnosis of coagulopathy at 0.20 probability of risk were highest for strigid owls (15 ng g−1) lower and relatively similar for accipitrid hawks and eagles (8.2 ng g−1) and falcons (7.9 ng g−1), and much lower for tytonid barn owls (0.32 ng g−1). These values are lower than those we found previously, due to compilation and use of a larger database with a mix of species and source locations, and also to refinements in the statistical methods. Our presentation of results on the family taxonomic level should aid in the global applicability of the numbers. We also collated a subset of 440 single-compound exposure events and determined the probability of SGAR-poisoning symptoms as a function of SGAR concentration, which we then used to estimate relative SGAR toxicity and toxic equivalence factors: difethialone, 1, brodifacoum, 0.8, and bromadiolone, 0.5. Environ Toxicol Chem 2024;43:988–998. © 2024 His Majesty the King in Right of Canada and The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC Reproduced with the permission of the Minister of Environment and Climate Change Canada.
Post‐COVID inflation dynamics: Higher for longer
Authors: Verbrugge Randal , Zaman Saeed 
Published: February 2024

AbstractWe implement a novel nonlinear structural model featuring an empirically successful frequency‐dependent and asymmetric Phillips curve; unemployment frequency components interact with three components of core personal consumption expenditures (PCE)—core goods, housing, and core services ex‐housing—and a variable capturing supply shocks. Forecast tests verify accuracy in its unemployment–inflation trade‐offs, crucial for monetary policy. Using this model, we assess the plausibility of the December 2022 Summary of Economic Projections (SEP). By 2025Q4, the SEP projects 2.1% inflation; however, conditional on the SEP unemployment path, we project 2.9%. A fairly deep recession delivers the SEP inflation path, but a simple welfare analysis rejects this outcome.