bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electroreduction of CO2 by Hybrid Cu‐TiO2/rGO Catalyst: Qualitative Detection of Products using Rotating Ring Disc Electrode
Authors: Koyejo Adefunke O. , Chu Xia , Kesavan Lokesh , Damlin Pia , Kvarnström Carita 
Published: August 2024

AbstractThe electrochemical reduction of CO2 (ERCO2) to valuable chemicals such as acetic acid/acetate offers a promising route to revolutionize chemical production and enhance sustainability. Here, we report the hydrothermal preparation of an electrocatalyst consisting of copper/titanium dioxide/reduced graphene oxide (Cu‐TiO2/rGO) for ERCO2 in aqueous medium. The metal‐support (TiO2/rGO) was pre‐synthesized by combining an aqueous solution of TiO2 and GO in an autoclave at 150 °C for 20 h. Then TiO2/rGO was added to synthesized Cu colloid formed through the reduction of copper (II) nitrate trihydrate resulting in the formation of Cu‐TiO2/rGO. The Cu‐TiO2/rGO hybrid nanocomposite was fully characterized using spectroscopic and microscopic techniques. This study explored the versatility of the rotating ring‐disc electrode (RRDE) as an in situ electroanalytical tool for the selective detection of products formed during ERCO2. The well‐designed hybrid electrocatalyst, containing Cu0/Cu+ active sites, facilitated the eight‐electron transfer for acetic acid (AA) formation at low potentials. AA formation was detected on the RRDE and validated by conventional NMR and HPLC techniques. This work highlights and expands the scope of selective hydrogenation of CO2 towards value‐added products.
α‐Bi2Mo3O12: A Dual‐Functional Material for Electrocatalytic Water Splitting and Supercapacitor Applications
Authors: Sujita P. , Swetha S. , Vadivel Sethumathavan 
Published: August 2024

AbstractThis study explores the functionality of α‐Bi2Mo3O12 (BMO) as an electrocatalyst for water splitting and its suitability for supercapacitor applications. BMO was synthesized by the solvothermal method and characterized in pre‐calcination [BMO (BC)], post‐calcination [BMO (AC)], and base‐etched forms [BMO (BE)]. Structural analysis confirmed the formation of α‐Bi2Mo3O12 with well‐defined crystallographic planes. Electrochemical analysis revealed that BMO (AC) exhibited the lowest overpotential for hydrogen evolution reactions (HER) and BMO (BC) exhibited the lowest overpotential for oxygen evolution reactions (OER), indicating its superior electrocatalytic activity. The Tafel slope and electrochemical impedance spectroscopy results confirmed the superior kinetics and charge transfer properties of BMO material. Furthermore, BMO samples demonstrated excellent stability during prolonged chronoamperometry (CA) testing for 12 h. For supercapacitor performances, the BMO (BE) exhibits a superior specific capacitance value of 398 F/g at 2.0 A/g. Thus, the BMO material delivers prominent electrocatalytic activity as well as supercapacitor performance. Overall, this study demonstrates the potentiality of α‐Bi2Mo3O12 in different forms as a dual‐functional material for efficient energy storage and conversion.
Peripheral Fusion of Carbon‐Based Aromatic Rings to B4N4‐Heteropentalene Leading to Close π‐Stacking in the Solid State
Authors: Kashida Junki , Shoji Yoshiaki , Taka Hideo , Ishiwari Fumitaka , Saeki Akinori , Fukushima Takanori 
Published: August 2024

Abstractπ‐Electronic molecules with a BN‐heterocyclic and carbon‐based aromatic hybrid ring system (h‐CBN) are interesting in that they potentially exhibit synergistic properties arising from the two different π‐systems. Here we report the synthesis and properties of a h‐CBN‐type molecule (1) having a bicyclic B4N4‐heteropentalene core fused with extended aromatic rings. This molecule exhibits excellent chemical stability despite the absence of bulky substituents for kinetic protection, which in turn provides effective stacking of the π‐system upon crystallization. Depending on the crystallization solvent, 1 forms two polymorphs, i. e., the α‐ and β‐phases. While both phases have one‐dimensional columnar structures, the π‐stacking geometries associated with the transfer integrals of the frontier orbitals are different, resulting in a twofold difference in the electrical conducting properties. We also found that upon thermal vacuum deposition, 1 gives an amorphous film, which serves as a host material for a red phosphorescent OLED device (maximum external quantum efficiency: 15.5 and 13.3 % at 0.1 and 2.5 mA, respectively).
Direct Synthesis for Benzofuro[3,2‐d]pyrimidin‐2‐Amines via One‐Pot Cascade [4+2] Annulation/Aromatization between Benzofuran‐Derived Azadienes and Carbodiimide Anions
Authors: Wang Chuan‐Chuan , Wang Qing‐Long , Li Yi‐Hui , Ren Meng‐Ru , Hou Xue‐Hui , Ma Zhi‐Wei , Liu Xue‐Hua , Chen Ya‐Jing 
Published: August 2024

AbstractThe chemoselective [4+2] annulation/aromatization reactions between benzofuran‐derived azadienes and N−Ts cyanamides are developed, affording a convenient method for synthesizing benzofuro[3,2‐d]pyrimidin‐2‐amines under mild conditions. Herein, N−Ts cyanamides participated in reactions selectively via carbodiimide anion intermediates and the corresponding cyanamide anion intermediates derived products were not observed. The proposed chemoselective stepwise reaction mechanism was well supported by DFT calculations.
International experience, growth opportunities, and repatriate job satisfaction
Authors: Roberts Michael , Muralidharan Etayankara , Cave Adam H. 
Published: August 2024

AbstractMultinational Enterprises expect to retain repatriates (i.e., returning employees from international assignments) and to gain from the new knowledge and experience they bring back from international assignments. Drawing insights from social exchange theory and using the perspective of psychological contracts, our study findings demonstrate that repatriate perception of recognition of foreign experience influences their job satisfaction, and this influence is mediated by perceived growth opportunities in the organization. Further, this mediation is nuanced in that it is stronger when there is an organization repatriation plan in place. The study contributes to the theoretical underpinnings of the antecedents of repatriate job satisfaction. Moreover, it demonstrates the need to have a strong repatriation plan in place along with growth opportunities within the organization to heighten job satisfaction of these highly valued employees upon their return from an international assignment.
Usefulness of insights into the kinetic compensation effects in the kinetic analysis of the coal gasification process
Authors: Jena Manoj Kumar , Kumar Vineet , Vuthaluru Hari 
Published: August 2024

AbstractIn this paper, an attempt has been made to understand the kinetic compensation effects and their usefulness in the kinetic analysis of a lab‐based gasification study. The gasification experiment was carried out in two different gasifying environments, that is, 0.4%O₂ + 8%H₂O‐Ar and 8%H₂O‐Ar, for two different particle sizes of Loy Yang brown coal. Analysis of kinetic values with the change in particle size and gasifying environment was investigated. This provides information on the path of product gas formation and how the overall controlling factor affects the path of char gasification, including the rate‐limiting step. Furthermore, the results indicate that having multiple sets of kinetic parameters caused by the inclusion of the change in char properties into kinetics during solid–gas heterogeneous reactions opens up the scope for wider applications in chemical reaction engineering. This includes the design of a reactor with a proper kinetic model, optimization of feedstock, and process parameters with the identification of pathways for product gas formation, which ultimately plays a key role in scaling up technology from bench‐scale to plant‐scale. In contrast, the study of kinetics with having a single set of kinetic data based on the initial change in char properties limits its applications.
Hyperkouytones A—O, New Polyprenylated Acylphloroglucinols from Hypericum kouytchense with Multidrug Resistance Reversal Activity
Authors: Lou Hua‐Yong , Chen Mei‐Jun , Yi Ping , Jin Jun , Zeng Yan‐Rong , Gu Wei , Hu Zhan‐Xing , Yang Jue , Hao Xiao‐Jiang , Yuan Chun‐Mao 
Published: August 2024

Comprehensive SummaryGiven the lack of systematic polyprenylated acylphloroglucinols (PPAPs) research on traditional Chinese medicine of Hypericum kouytchense, this plant was applied for the phytochemical study, which led to fifteen new PPAPs (1—15, PPAPs), along with 36 known PPAP derivatives. Their structures and absolute configurations were established by comprehensive spectral analysis and theoretical ECD and NMR calculations. Structurally, compound 1 possesses a rare fused 6/6/6/5/5 pentacyclic ring system. Eleven compounds exhibited good multidrug resistance reversal activity (RF ranging from 5 to 53) in HepG2/ADR cells. Importantly, compound 34, the most potential MDR modulator, showed better reversal effect (RF: 53) than positive control, verapamil. The primary mechanistic study of compound 34, implied that this compound could prohibit the function of P‐gp transport rather than its expression. The possible recognition mechanism between compound 34 and P‐gp was predicted by molecular docking.
To secure an e‐commerce system using epidemic mathematical modeling with neural network
Authors: Yadav Kumar Sachin , Keshri Ajit Kumar 
Published: August 2024

SummarySecuring an e‐commerce system using epidemic mathematical modeling with neural networks involves adapting epidemiological principles to combat the spread of misinformation. Just like how epidemiologists track the spread of diseases through populations, we can track the dissemination of fake news through online platforms. By modeling how fake news spreads, we gain insights into its propagation patterns, enabling us to develop more effective countermeasures. Neural networks, with their ability to learn from data, play a crucial role in this process by analyzing vast amounts of information to identify and mitigate the impact of fake news. One potential disadvantage of using epidemic mathematical modeling with neural networks to secure e‐commerce systems is the complexity of the approach. The epidemic‐based recurrent long short‐term memory (E‐RLSTM) technique addresses the complexity and evolving nature of fake news propagation by leveraging the strengths of recurrent neural networks (RNNs), specifically long short‐term memory (LSTM) units, within an epidemic modeling framework. One advantage of using epidemic mathematical modeling with neural networks to secure e‐commerce systems is its proactive nature. One significant finding in employing this approach is the ability to uncover hidden connections and correlations within the data. E‐RLSTM stands out by capturing temporal dynamics and integrating epidemic parameters into its LSTM architecture, ensuring robustness and adaptability in detecting and combating fake news within e‐commerce systems, outperforming other techniques in accuracy and performance. Description of the NSL‐KDD dataset offers easy access to a valuable repository for benchmarking cyber security. Contained within are more than 120,000 authentic samples of cyber‐attacks across 41 distinct categories, providing an excellent environment for testing intrusion detection systems.
The Role of Therapists' Attachment and Introject in Their Treatment Process and Outcome: A Systematic Review
Authors: Horne Sarah J. , Liu Siyu , Aafjes‐van Doorn Katie 
Published: August 2024

ABSTRACTPrevious reviews have examined empirical evidence of the relationship between therapists' internalized relational models, including therapists' attachment styles and Sullivan's notion of introject, and the therapeutic relationship. This review expands upon previous reviews by examining the effect of therapists' internalized relational models on the treatment process (e.g., therapeutic alliance and countertransference) and treatment outcomes (e.g., symptoms and functioning) more broadly. Our systematic search identified 42 empirical studies measuring therapist's internalized relational models, defined as therapist attachment style (i.e., the way the therapist relates to others) and/or introject (i.e., the way the therapist relates to themselves), in relation to therapy process and outcome, including 35 studies on attachment, nine studies on introject and two that examined both constructs. A rigorous quality assessment was conducted; two studies were rated as ‘moderate’, and 40 were rated as ‘weak’ in quality. Based on the study findings, it appears that more securely attached therapists may have stronger working alliances and more positive therapeutic processes with their patients. Contrary to expectations, therapist attachment security does not appear to impact treatment outcomes. Therapists who relate to themselves in a more affirming way may have stronger working alliances and better treatment outcomes, but very few studies have addressed this question thus far. More rigorous research, especially on the effect of therapists' introject, is needed. Therapists may consider the potential impact of their internalized relational models on the working alliance and other treatment processes that influence therapeutic outcomes.
The Role of Terminal Fluorination on Energy Inversion in Organic Solar Cells
Authors: Ren Yue , Sui Ming‐Yue , Xie Jiahao , Cheng Lei , Li Ming‐Yang , Sun Guang‐Yan , Liu Jing‐Yao , Su Zhong‐Min 
Published: August 2024

AbstractSuppressing non‐radiative energy loss (ΔE3) mediated by the triplet charge transfer state is crucial for high‐performance organic solar cells (OSCs). Here, we decode the energy inversion through multi‐scale theoretical simulations, which inhibit the formation of non‐emissive triplet (T1) state. However, it is mystified by the system dependence. We first demonstrate a direct relationship of “the probability of Face‐on orientation (PFace‐on) is proportional to the probability of energy inversion (PEI)”, which is related to the function of terminal fluorination. Through Pearson′s correlation coefficient and machine learning model, the useful stacking structural parameters were obtained to clarify the effect of π‐bridge group on the function of terminal fluorination. Based on the molecular descriptors established, we explain that the fluorination effect is beneficial to Face‐on orientation and thus energy inversion due to the enhanced intermolecular coupling. But the π‐bridge inhibits this coupling with the interfacial stacking configuration appearing more “TT_IC”. This work provides a directional standard for promoting energy inversion to reduce ΔE3 for the high‐performance OSCs.
Rational Design and Facile Preparation of Palladium‐Based Electrocatalysts for Small Molecules Oxidation
Authors: Wu Chenshuo , Zhang Yingmeng , Yang Hui Ying 
Published: August 2024

AbstractDirect liquid fuel cells (DLFCs) can convert the chemical energy of small organic molecules directly into electrical energy, which is a promising technique and always calls for electrocatalysts with high activity, stability and selectivity. Palladium (Pd)‐based catalysts for DLFCs have been widely studied with the pursuit of ultra‐high performance, however, most of the preparation routes require complex agents, multi‐operation steps, even extreme experimental conditions, which are high‐cost, energy‐consuming, and not conducive to the scalable and sustainable production of catalysts. In this review, the recent progresses on not only the rational design strategies, but also the facile preparation methods of Pd‐based electrocatalysts for small molecules oxidation reaction (SMOR) are comprehensively summarized. Based on the principles of green chemistry in material synthesis, the basic rules of “facile method” have been restricted, and the fabrication processes, perks and drawbacks, as well as practical applications of the “real” facile methods have been highlighted. The landscape of this review is to facilitate the mild preparation of efficient Pd‐based electrocatalysts for SMOR, that is, to achieve a balance between “facile preparation” and “outstanding performance”, thereby to stimulate the huge potential of sustainable nano‐electrocatalysts in various research and industrial fields.
Computational Engineering of Non‐van der Waals 2D Magnetene for Enhanced Oxygen Evolution and Reduction Reactions
Authors: Guerra Demingos Pedro , Chen Zhiwen , Ni Xiang , Singh Chandra Veer 
Published: August 2024

AbstractNon‐van der Waals two‐dimensional materials containing exposed transition metal atoms are promising catalysts for green energy storage and conversion. For instance, hematene and ilmenene have been successfully applied as catalysts. Building on these reports, this work is the first investigation of recently synthesized magnetene towards the Oxygen Evolution Reaction (OER) and Oxygen Reduction Reaction (ORR). Using Density Functional Theory (DFT) calculations, we unveil the mechanism, performance and ideal conditions for OER and ORR on magnetene. With overpotentials of ηOER=0.50 V and ηORR=0.41 V, the material is not only a bifunctional catalyst, but also superior to state‐of‐the‐art systems such as Pt and IrO2. Additionally, its catalytic properties can be further enhanced through engineering strategies such as point defects and in‐plane compression. It reaches ηORR=0.28 V at a compressive strain of only 2 %, while the presence of Ni boosts it to ηOER=0.39 V and ηORR=0.31 V, comparable to many reported single‐atom catalysts. Overall, this work demonstrates that magnetene is a promising bifunctional catalyst for applications such as regenerative fuel cells and metal‐air batteries.
Hybrid ELECTRE and bipolar fuzzy PROMOTHEE‐based packet dropping malicious node mitigation technique for improving QoS in WSNs
Authors: Madhavi S. , Praveen R. , Jagatheswari S. , Nivitha K. 
Published: August 2024

SummaryIn wireless sensor networks (WSNs), trusted routing path needs to be determined for guaranteeing reliable data dissemination with maximized Quality of Service (QoS). But the sensor nodes may not exhibit a cooperative behavior for the objective of conserving energy and remaining active in the network. Trust management techniques are essential for alleviating the problem of packet dropping attacks of sensor nodes that intentionally deteriorates the performance of the network. In this paper, Hybrid ELECTRE and bipolar fuzzy PROMOTHEE‐based trust management (HEBFPTM) scheme is proposed for addressing the impact of packet dropping attacks that targets on improving QoS in WSNs. This is proposed as a multi‐criteria decision analysis solution for obtaining feasible number of parameters that could be derived from the sensor nodes of the network to determine its cooperation degree in the network. This HEBFPTM is proposed with the objective of integrating the ordinal evaluation of mobile nodes into a cardinal procedure using the method of PROMETHEE to attain quantitative and qualitative analysis that aides in identifying the weights of each criterion considered for cooperation determination using pairwise comparison. It adopted three preference models using partial, complete, and outranking through intervals. It handled the problem of uncertainty using the merits of bipolar fuzzy that helped in attaining the weight of the criteria and preference functions used for ranking the sensor nodes in the routing path. The experiments of the proposed HEBFPTM achieved using ns‐2 simulator confirmed its efficacy in improving the attack detection rate by 21.38%, reduced false positive rate by 15.42%, maximized packet delivery rate of 18.94%, and reduced energy utilization of 19.84% better than the benchmarked approaches used for investigation.
Lymphotoxins from distinct types of lymphoid cells differentially contribute to neuroinflammation
Authors: Gogoleva Violetta S. , Drutskaya Marina S. , Vorontsov Alexander I. , Atretkhany Kamar‐Sulu N. , Belogurov Alexey A. , Kruglov Andrey A. , Nedospasov Sergei A. 
Published: August 2024

AbstractLymphotoxin α and lymphotoxin β (LTs), TNF superfamily members, are expressed in either soluble (LTα3) or membrane‐bound (LTα1β2 or LTα2β1) forms. In the pathological context, LT‐mediated signaling is known to exacerbate autoimmunity by perpetuating inflammation and promoting the formation of tertiary lymphoid organs. Despite this understanding, the exact roles of LTα and LTβ in the pathogenesis of the murine model of multiple sclerosis, and experimental autoimmune encephalomyelitis (EAE), remain controversial. Here, we employed a panel of gene‐modified mice with cell‐type restricted ablation of LTα (targeting both membrane‐bound and soluble forms of LTs) to unravel the contributions of LTs from various lymphoid cells, namely T cells, type 3 innate lymphoid cells (ILC3) and B cells, in EAE. We found that the effects of LTα deletion were dependent on the cellular source. ILC3‐derived lymphotoxins exerted a protective role in EAE by regulating the accumulation of IFN‐ɣ‐ and GM‐CSF‐producing TH cells in the CNS. In contrast, T‐cell‐derived lymphotoxins promoted IL‐17A‐ and GM‐CSF‐mediated TH responses in the periphery, whereas B‐cell‐derived lymphotoxins were pathogenic only in the autoantibody‐mediated EAE model. Collectively, our findings unveil the multifaceted involvement of lymphotoxins in EAE pathogenesis and challenge the view that lymphotoxins play a solely pathogenic role in neuroinflammation.
Multiomics analysis reveals the potential mechanism of high‐fat diet in dextran sulfate sodium‐induced colitis mice model
Authors: Zhao Yuyang , Chen Zhimin , Dong Ruiyi , Liu Yufan , Zhang Yixin , Guo Yan , Yu Meiyi , Li Xiang , Wang Jiangbin 
Published: August 2024

AbstractA high‐fat diet (HFD) is recognized as an important contributor to inflammatory bowel disease (IBD). However, the precise underlying mechanism of HFD on IBD remains elusive. This study aimed to investigate the potential mechanism by which HFD affects IBD using 16S rRNA‐sequencing and RNA‐seq technology. Results indicated that HFD‐treated mice exhibited notable alternations in the structure and composition of the gut microbiota, with some of these alternations being associated with the pathogenesis of IBD. Analysis of the colon transcriptome revealed 11 hub genes and 7 hub pathways among control, DSS‐induced colitis, and HFD + DSS‐treated groups. Further analysis explores the relationship between the hub pathways and genes, as well as the hub genes and gut microbiota. Overall, the findings indicate that the impact of HFD on DSS‐induced colitis may be linked to intestinal dysbiosis and specific genes such as Abca8b, Ace2, Apoa1, Apoa4, Apoc3, Aspa, Dpp4, Maob, Slc34a2, Slc7a9, and Trpm6. These results provide valuable insights for determining potential therapeutic targets for addressing HFD‐induced IBD.
Uncovering the Sino‐US Dynamic Risk Spillovers Effects: Evidence From Agricultural Futures Markets
Authors: Zhu Han‐Yu , Dai Peng‐Fei , Zhou Wei‐Xing 
Published: August 2024

ABSTRACTWith economic globalization and the financialization of agricultural products continuing to advance, the interconnections between different agricultural futures have become closer. We utilize a TVP‐VAR‐DY model combined with the quantile method to measure the risk spillover between 11 agricultural futures in the United States and China from July 9, 2014, to December 31, 2022. We obtain several findings. First, CBOT corn, soybean, and wheat are identified as the primary risk transmitters, with DCE corn and soybean as the main risk receivers. Second, sudden events or increased economic uncertainty can enlarge the overall risk spillovers. Third, there is an aggregation of risk spillovers amongst agricultural futures based on the dynamic directional spillovers. Lastly, the central agricultural futures under the conditional mean are CBOT corn and soybean, while CZCE hard wheat and long‐grained rice are the two risk‐spillover centers in extreme cases, as per the results of the spillover network and minimum spanning tree.