bluuebunny/crossref_metadata_2025_split huggingface dataset:
Promoting CO2 Electroreduction Over ion‐exchange Resin‐derived Ni−N−C Catalyst with Sulfur Doping
Authors: Wang Yicheng , Zhang Qiyu , Wang Chenxu , Ayeza  , Zhang Yating , Hu Chao 
Published: November 2024

AbstractThe utilization of renewable energy for electrocatalytic carbon dioxide reduction reaction (CO2RR) represents a pivotal technology in sustainable carbon conversion. Single‐atom catalysts (SACs) featuring transition metal‐nitrogen‐carbon (M−N−C) structures have demonstrated exceptional electrocatalytic efficacy in CO2RR by maximizing atom efficiency. Nevertheless, further investigation is warranted to optimize the catalytic performance of SACs through the selection of suitable carbon sources and supports, as well as the modulation of the microenvironment surrounding individual metal atoms. In this study, a sulfur‐doped Ni−N−C catalyst was prepared using a two‐step strategy involving metal ion adsorption and thermal decomposition, with porous ion exchange resin serving as the carbon source. Due to the uniform distribution of single atom active centers on the resin‐based carbon support and sulfur doping, this catalyst efficiently converts CO2 into CO with a Faradaic efficiency exceeding 90 % within the range of −0.69~−1.29 V (vs. RHE), reaching a maximum value of 97.7 % (−0.79 V vs. RHE). Theoretical calculations indicate that second‐shell sulfur doping effectively promotes coupled transfer of protons and electrons, leading to a significant reduction in Gibbs free energy barriers for CO2RR intermediate products.
Comparison Between Hierarchical Time Series Forecasting Approaches for the Electricity Consumption in the Brazilian Industrial Sector
Authors: Mesquita Lopes Cabreira Marlon , Leite Coelho da Silva Felipe , da Silva Cordeiro Josiane , Ureta Tolentino Jeremias Macias , Carbo‐Bustinza Natalí , Canas Rodrigues Paulo , López‐Gonzales Javier Linkolk 
Published: November 2024

ABSTRACTIn Brazil, the industrial sector is the largest electricity consumer. Therefore, energy planning becomes important for industrial development. Electricity consumption data in the Brazilian industrial sector can be organized into a hierarchical structure composed of each geographic region (South, Southeast, Center‐West, Northeast, and North) and their respective states. This work aims to evaluate the predictive capacity of the bottom‐up, top‐down, and optimal combination approaches used to obtain electricity consumption forecasting in the Brazilian industrial sector. These approaches were integrated with the predictive models of exponential smoothing, Box and Jenkins, and neural networks. The results showed that the bottom‐up approach integrated with the Long Short‐Term Memory (LSTM) model provided the best predictions and outperformed the other hierarchical forecasting approaches with an average MAPE of less than 3%.
Domain Selection for Gaussian Process Data: An Application to Electrocardiogram Signals
Authors: Hernández Nicolás , Martos Gabriel 
Published: November 2024

ABSTRACTGaussian processes and the Kullback–Leibler divergence have been deeply studied in statistics and machine learning. This paper marries these two concepts and introduce the local Kullback–Leibler divergence to learn about intervals where two Gaussian processes differ the most. We address subtleties entailed in the estimation of local divergences and the corresponding interval of local maximum divergence as well. The estimation performance and the numerical efficiency of the proposed method are showcased via a Monte Carlo simulation study. In a medical research context, we assess the potential of the devised tools in the analysis of electrocardiogram signals.
Blueberry Anthocyanin Functionalized CaMoO4:Tb3+ Nanophosphors for Dual‐Mode pH Sensing
Authors: Zhang Yi , Wei Yu‐chen , Zhang Na , Wang Cong , Li Xiao‐ling , Bian Zhen‐tao , Zhang Keying 
Published: November 2024

ABSTRACTA series of green phosphors, Ca1‐y%MoO4:y%Tb3+ (where y = 0.1, 0.5, 1, 2, 3, 4, and 5) were successfully prepared via hydrothermal synthesis. The pH levels were used to modulate the luminescent of CMO:Tb. To confirm the potential application of proposed phosphors, Blueberry anthocyanin (BBA) was loading onto CMO:Tb surface to form a luminescence probe. The synthesized phosphors and probes were characterized using X‐ray diffraction (XRD), FT‐IR spectra, transmission electron microscopy (TEM), and high‐resolution TEM (HRTEM). As a proof‐of‐concept, the constructed probes were adopted to evaluate the acidity of solution. The results showed that luminescence emission intensity at 546 nm increased with pH value increasing in the range of 2–12. Meanwhile, the color of the sensor solution changed from bright red to pink, then to purple, and finally to yellow as the pH varies between 2 and 12. The above results indicated that the proposed probe could evaluate the acidity of solution via the dual‐mode luminescence detecting and naked eye to obtain accurate results. This proposed strategy gives an insight to design the efficient probes to precisely and sensitively evaluate the acidity in complex samples.
Dissecting Causal Links Between Gut Microbiota, Inflammatory Cytokines, and Parkinson's Disease: A Mendelian Randomization Study
Authors: Caiyun Ma , Hebao Wen , Wenhao Ye , Changqing Liu , Changqing Li , Xiaojiang Zhao 
Published: November 2024

AbstractBackgroundThe association between gut microbiota (GM) and Parkinson's disease (PD) has been well established, but whether there is a causal relationship between the two and whether inflammatory cytokines (ICs) act as mediators remain unclear.Methods:We utilized the summary databases of large‐scale genome‐wide association studies (GWAS) conducting Mendelian randomization (MR) analyses to investigate the causal relationships between GM, ICs, and PD. The inverse‐variance weighted (IVW) method was primarily used to identify GM and ICs associated with PD and to examine the mediating role of ICs, supplemented by MR Egger and weighted median.Results:Through MR analysis, we identified three positive causal relationships and six negative causal relationships between GM and PD. Additionally, there were three positive associations and five negative associations between ICs and PD. However, after adjusting for FDR, none of these associations were significant. In reverse MR analysis, we also found causal relationships between PD and various GM and ICs. Further, two‐step MR analysis indicated that the negative impact of phylum Actinobacteria on PD may be mediated through Fms‐related tyrosine kinase 3 ligand levels.Conclusion:This study strengthens the link between GM and the risk of PD, while also revealing the potential mediating role of ICs in the causal relationships between these factors.
Association Between Cognitive Function and Emotion, Sleep, Frailty, and Nutrition in Hospitalized Patients
Authors: Wang Nan , Zhang Qunying , Li Peng , Guo Lilan , Wu Xiaoman , Tu Qiuyun 
Published: November 2024

ABSTRACTBackgroundWith the rapid increase in China's aging population, cognitive impairment in the elderly has become a significant public health issue.AimsIn this study we performed a cross‐sectional analysis to comprehensively investigate the relationship between cognitive function and emotion, sleep, frailty, nutrition, and clinical variables in hospitalized geriatric patients according to age group and sex. We determined the most important risk factors for cognitive impairment.MethodA total of 1121 inpatients were recruited from the Department of Gerontology at the Fifth Affiliated Hospital of Sun Yat‐sen University, China, from August 2023 to April 2024. Cognitive assessment was performed using the Mini‐Mental State Examination scale and Montreal Cognitive Assessment. The sleep quality was evaluated based on the Pittsburgh Sleep Quality Index, and anxiety and depression were evaluated based on the Hamilton Anxiety Scale and Hamilton Depression Scale.ResultsSex and age differences existed with respect to cognition, emotion, and sleep quality. After full adjustment, age, education level, working status, hemoglobin level, activities of daily living, Hamilton Depression Scale, and Pittsburgh Sleep Quality Index scores were significantly and independently associated with cognitive impairment.DiscussionGeriatric patients with a better mood, sleep and nutrition status, higher education level, and more social engagement performance had superior cognitive function. Interventions, such as valuing education, improving sleep, relaxing emotions, preventing anemia, and adjusting lifestyle, may help prevent the development of cognitive deficits. Elderly and female patients required special attention.ConclusionsVarious factors were shown to contribute to maintenance of cognitive function.
Current Perspective and Mechanistic Insights on α‐Hederin for the Prevention and Treatment of Several Noncommunicable Diseases
Authors: El‐Shiekh Riham A. , Atwa Ahmed M. , Elgindy Ali M. , Ibrahim Kawther Magdy , Senna Mohamed Magdy , Ebid Nouran , Mustafa Aya M. 
Published: November 2024

ABSTRACTα‐Hederin, a naturally occurring compound found in various plant sources, has remarkable properties and therapeutic potential for human health. One notable attribute is its potent anti‐inflammatory activity, such as in arthritis, asthma, and inflammatory bowel disease. In addition, it exhibits notable antioxidant effects implicated in the development of chronic diseases, including cardiovascular disorders and certain types of cancer. According to research, it may limit the growth and proliferation of cancer cells, making it a possible candidate for future cancer treatments. Moreover, it is a promising neuroprotective agent and enhances cognitive function, suggesting its potential in the treatment of neurodegenerative illnesses like Alzheimer's and Parkinson's disease. The multifaceted benefits of α‐hederin make it an intriguing compound with significant therapeutic implications. As research progresses, exploring its mechanisms of action and clinical applications is warranted. Harnessing the potential of α‐hederin may pave the way for innovative treatment strategies and improved outcomes in the battle against various chronic diseases.
Exploring the Potential of Various Cyclodextrin‐Based Derivatives in Enzyme Supramolecular Engineering
Authors: Foroutan Kalourazi Ali , Amirabbas Nazemi Seyed , Unniram Parambil Ajmal Roshan , Ferrer Manuel , Shahangian S. Shirin , Shahgaldian Patrick 
Published: November 2024

AbstractEnzyme stability and activity are pivotal factors for their implementation in different industrial applications. Enzyme supramolecular engineering relies on the fabrication of a tailor‐made enzyme nano‐environment to ensure enzyme stability without impairing activity. Cyclodextrins (CDs), cyclic oligomers of glucose, act as protein chaperones and stabilize, upon interaction with hydrophobic amino acid residues exposed at the protein surface, its three‐dimensional structure. When used to build an organosilica layer shielding an enzyme, they enhance the protective effect of this layer. In the present study, we systematically assessed the protective effects of three organosilane derivatives based on ɑ‐, β‐ and γ‐CDs. A model lipase enzyme was immobilized at the surface of silica nanoparticles and shielded in an organosilica layer containing these organosilanes. Besides layer thickness optimization, the effect of different stressors (i. e., temperature, SDS, urea) was tested. Our results showed that organosilica layers produced with CDs improve enzyme thermal stability. They also support enzyme refolding after denaturation under chaotic conditions. Additionally, we demonstrated that the protective effect of the smallest CD derivative tested, namely ɑ‐CD, surpassed the other macrocycles studied for conferring the immobilized enzyme with higher resistance to stress conditions. This protection strategy was also applied to a thermostable β‐galactosidase enzyme.
A Rare Case of Primary Vulvar Diffuse Large B‐Cell Lymphoma: A Case Report
Authors: Singh M. , Ngakhusi S. , Shrestha A. , Subedi P. , Khadka K. , Dhakal H. P. 
Published: November 2024

ABSTRACTPrimary vulvar diffuse large B‐cell lymphoma is a diagnostically challenging malignant tumor due to its low incidence and diverse clinical presentations. It has a good prognosis and is usually radio‐chemotherapy‐responsive. This case report emphasizes considering lymphoma as a differential in vulvar inflammatory conditions.
Research advances of metal fluoride for energy conversion and storage
Authors: Zhang Runlin , Xu Zijin , Hao Zeyu , Meng Zeshuo , Hao Xiufeng , Tian Hongwei 
Published: November 2024

AbstractIn recent years, renewable energy sources, which aim to replace rapidly depleting fossil fuels, face challenges due to limited energy storage and conversion technologies. To enhance energy storage and conversion efficiency, extensive research has been conducted in the academic community on numerous potential materials. Among these materials, metal fluorides have attracted significant attention due to their ionic metal–fluorine bonds and tunable electronic structures, attributed to the highest electronegativity of fluorine in their chemical composition. This makes them promising candidates for future electrochemical applications in various fields. However, metal fluorides encounter various challenges in different application directions. Therefore, we comprehensively review the applications of metal fluorides in the field of energy storage and conversion, aiming to deepen our understanding of their exhibited characteristics in different electrochemical processes. In this paper, we summarize the difficulties and improvement methods encountered in different types of battery applications and several typical electrode optimization strategies in the field of supercapacitors. In the field of water electrolysis, we focus on surface reconstruction and the critical role of fluorine, demonstrating the catalytic performance of metal fluorides from the perspectives of reconstruction mechanism and process analysis. Finally, we provide a summary and outlook for this field, aiming to offer guidance for future breakthroughs in the energy storage and conversion applications of metal fluorides.
A Superior Ionic Conducting Plastic Crystal Near Room Temperature with Electrical Bistability and Magnetic Transition
Authors: Gao Yan , He Zhang‐Ni , Wei Wei , Feng Zi‐Heng , Qian Yin , Tian Zheng‐Fang , Ren Xiao‐Ming 
Published: November 2024

AbstractMultifunctional ionic plastic crystals (IPCs) are a class of unique materials that exhibit a wide range of advanced applications. In this work, we proposed a strategy for the design of multifunctional, superior ion‐conducting IPCs with bistability in both magnetic and electric properties, moreover, we successfully prepared and thoroughly characterized such an IPC, [PMPyr][Ni(mnt)2] (1; PMPyr+=N‐propyl‐N‐methylpyrrolidinium, and mnt2−=maleonitriledithiolate). Plastic crystal 1 exhibits superior ion conduction near room temperature, and its ion conductivity reaches the order of 10−2 S cm−1 at 373 K. Remarkably, the crystal‐to‐plastic crystal transformation results in 1 simultaneously exhibiting electrical bistability and magnetic transition. Our study paves the way for the development of new IPCs with desirable functional properties.
Advances in Pyridine C−H Functionalizations: Beyond C2 Selectivity
Authors: Mohite Sachin Balaso , Mirza Yafia Kousin , Bera Partha Sarathi , Nadigar Siddaram , Yugendhar Soorni , Karpoormath Rajsekhar , Bera Milan 
Published: November 2024

AbstractThe pyridine core is a crucial component in numerous FDA‐approved drugs and Environmental Protection Agency (EPA) regulated agrochemicals. It also plays a significant role in ligands for transition metals, alkaloids, catalysts, and various organic materials with diverse properties, making it one of the most important structural frameworks. However, despite its significance, direct and selective functionalization of pyridine is still relatively underdeveloped due to its electron‐deficient nature and the strong coordinating ability of nitrogen. Among the variety of synthetic transformation, direct functionalization of C−H bond is straightforward and atom economical approach and it's advantageous for late‐stage functionalization of pyridine containing drugs. In recent years, innovative strategies for regioselective C−H functionalization of pyridines and azines have emerged, offering numerous benefits such as high regioselectivity, mild conditions, and enabling transformations that were challenging with traditional methods. This review emphasizes the latest advancements in meta and para‐C−H functionalization of pyridines through various approaches, including pyridine phosphonium salts, photocatalytic methods, temporary de‐aromatization, Minisci‐type reactions, and transition metal‐catalyzed C−H activation techniques. We discuss the advantages and limitations of these current methods and aim to inspire further progress in this significant field.
Hybrid Strategies for Enhancing the Multifunctionality of Smart Dynamic Molecular Crystal Materials
Authors: Qi Haoqiang , Wu Wenbo , Zhu Jiaxuan , Zhao Hongtu , Yu Hui , Huang Xin , Wang Ting , Wang Na , Hao Hongxun 
Published: November 2024

AbstractDynamic molecular crystals are an emerging class of smart engineering materials that possess unique ability to convert external energy into mechanical motion. Moreover, they have being considered as strong candidates for dynamic elements in applications such as flexible electronic devices, artificial muscles, sensors, and soft robots. However, the inherent defects of molecular crystals like brittleness, short‐life and fatigue, have significantly impeded their practical applications. Inspired by the concept of “the whole is greater than the sum of its parts” in the field of biology, building stimuli‐response composites materials can be regarded as one of the ways to break through the current limitations of dynamic molecular crystals. Moreover, the hybrid materials can exhibit new functionalities that cannot be achieved by a single object. In this review, the focus was placed on the analysis and discussion of various hybrid strategies and options, as well as the functionalities of hybrid dynamic molecular crystal materials and the important practical applications of composite materials, with the introduction of photomechanical molecular crystals and flexible molecular crystals as a starting point. Moreover, the efficiency, limitations, and advantages of different hybrid methods were compared and discussed. Furthermore, the promising perspectives of smart dynamic molecular crystal materials were also discussed and the potential directions for future work were suggested.
Self‐Assembly of a Perfluorinated Amphiphilic Cyanine Dye into Branched Tubular J‐Aggregates
Authors: Zoister Christian , Schade Boris , Ludwig Kai , Haag Rainer , Berlepsch Hans v. , Singh Abhishek K. 
Published: November 2024

AbstractThe self‐assembly process is governed by the individual constituents of molecules through precise non‐covalent interactions. Amphiphilic cyanines are intriguing in supramolecular chemistry due to the large polarizability of their delocalized π–electron systems, their tuneable optical properties and their ability to form well‐defined self‐assembled structures in different media. Here we present the synthesis of a novel tetrahydroxy amphiphilic carbocyanine dye with perfluoro alkylated chains −(CH2)2−(CF2)5−CF3 as hydrophobic segments and aminoproanediol as hydrophilic segment. The target molecule was synthesized in a multi‐step process, which illustrates the complexity and precision required to achieve the desired structure. This study focuses on the comparison of the influence of C8H17 and C8H4F13 tails and the effects of carboxylated and non‐ionic aminopropanediol head groups as substituents on self‐assembly of the TBC dye. Absorption and fluorescence measurements show similar spectroscopic properties to cyanine dyes studied previously. Cryogenic transmission electron microscopy (cryo‐TEM) reveals formation of multiple supramolecular aggregates. As supramolecular assembly is very sensitive to sample preparation, multilamellar or multivesicular vesicles are obtained preferentially in vigorously vortexed solutions. Moreover, time‐dependent tube formation was observed in gently mixed solutions. Thereby, we could follow the growing mechanism of the unprecedented Y‐junctions of supramolecular tubes.
Insight into the Simultaneous Super‐Stable Mineralization of AsO43−, Cd2+ and Pb2+ Using MgFe‐LDHs
Authors: Lin Tong , Wang Haoran , Song Zian , Huang Menghan , An Sai , Chen Wei , Song Yu‐Fei 
Published: November 2024

AbstractMultiple‐heavy‐metal contamination in soil, such as the simultaneous presence of AsO43−, Cd2+ and Pb2+, which can reduce crop yields and damage human health, is a serious issue to be addressed. Herein, the MgFe‐LDHs (layered double hydroxides) intercalated with carbonate and nitrate (MgFe‐CO3 and MgFe‐NO3) were synthesized by Separate Nucleation and Aging Steps and ion‐exchange method, respectively. The MgFe‐CO3 demonstrated the maximum saturation adsorption capacity of 55.86, 543.48 and 1597.4 mg g−1 for single AsO43−, Cd2+ and Pb2+ in aqueous solution, while MgFe‐NO3 exhibited 92.50, 387.59 and 869.56 mg g−1, respectively. Kinetic and thermodynamic results for mineralization of single AsO43−, Cd2+ and Pb2+ fitted well with the pseudo‐second‐order kinetic model and Langmuir isotherm model, indicating the occurrence of chemisorption and monolayer adsorption for both MgFe‐CO3 and MgFe‐NO3. Furthermore, simultaneous mineralization of AsO43−, Cd2+ and Pb2+ with >99.0 % efficiency in 240 min in aqueous solution and >81.1 % efficiency in 14 days in soil can be achieved by both MgFe‐CO3 and MgFe‐NO3. Preliminary red bean seedlings cultivation experiments indicated that the released Mg2+ ions from MgFe‐CO3 and MgFe‐NO3 were capable to promote the emergence and growth of red bean seedlings. Detailed XRD and XPS results demonstrated that the AsO43− anions were adsorbed on the laminate of LDHs, whereas the Pb3(OH)2(CO3)2 was the mineralization product for both MgFe‐CO3 and MgFe‐NO3. In terms of Cd2+, CdCO3 was obtained as a mineralization product for MgFe‐CO3, while CdCO3 and Cd(OH)2 can be detected due to the slow transformation of MgFe‐NO3 to MgFe‐CO3 in air.
C2 Product Selectivity by 2D‐nanosheet of Layered Zn‐doped Cu2(OH)3(NO3)‐A Pre‐catalyst for Electrochemical CO2 Reduction
Authors: Singh Pankaj Kumar , Thakur Jyotika , Yadav Pradeep Kumar , Gautam Akriti , Masakapalli Shyam K , Sharma Sudhanshu , Halder Aditi 
Published: November 2024

AbstractThe natural carbon cycle cannot mitigate and recycle the excess CO2 in the atmosphere, leading to a continuous rise in the global temperature. Electrochemical conversion of CO2 is one of the useful methods to utilise this anthropogenic CO2 and convert it into value‐added chemicals. However, this process suffers the challenges of product selectivity and good Faradaic efficiency. In our current work, we report the role of Zn‐doping in the 2D‐Nanosheet of Cu2(OH)3(NO3)‐a pre‐catalyst that undergoes the in‐situ transformation into a metallic state along with surface reconstruction. Our studies show, in the aqueous medium, the optimum amount of Zn plays a crucial role in the production of ethanol with the Faradaic efficiency of ∼45.2 % though C−C coupling. Temperature‐programmed desorption studies conclude that Zn increases the product selectivity for CO adsorption on Cu2(OH)3(NO3) nanosheets, further facilitating the C−C coupling at higher negative potential. The detailed XPS studies also reveal that the in‐situ conversion of Cu2+ to Cu0 and Cu+ at negative potential contributes to the production of C2 products. The post‐catalytic microstructural and spectroscopic studies converge to this point that the cumulative effect of oxidation state, surface reconstruction, as well as the presence of Zn modulate the overall Faradaic efficiency for ethanol formation.