bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Silica‐Reinforced Composite Electrolyte with Greatly Enhanced Interfacial Lithium‐Ion Transfer Kinetics for High‐Performance Lithium Metal Batteries
Authors: Zhang Tao , Li Jiafeng , Li Xiaoxuan , Wang Rutao , Wang Chengxiang , Zhang Zhiwei , Yin Longwei 
Published: August 2022

AbstractDeveloping quasi‐solid‐state electrolytes with superior ionic conductivity and high mechanical strength is urgently desired to improve the safety and cycling stability of lithium‐metal batteries. Herein, a novel solid‐like electrolyte (SLE) with enhanced Li+ interfacial transfer kinetics is rationally designed by soaking bulk nanostructured silica–polymer composites in liquid electrolytes. Benefiting from the high content of inorganic silica and abundant interfaces for fast Li+‐transport channels, the prepared SLE exhibits superb ionic conductivity and high mechanical strength. Furthermore, fumed silica with a high specific area in the SLE can homogenize Li+ flux and electrical field gradient. More importantly, a Li2S‐rich solid electrolyte interphase (SEI) is constructed on the lithium metal due to the intimate ion coordination in the SLE. Therefore, the lithium‐metal anode exhibits excellent electrochemical performance in symmetric Li–Li cells due to the merits of superior ionic conductivity, high modulus, Li2S‐rich SEI, as well as the homogeneous Li+ flux. Full cells with LiFePO4 cathode can still display a capacity retention of 98% at 0.2 C after 400 cycles. The proposed strategy on quasi‐solid‐state electrolytes provides a promising avenue for next‐generation metal‐based batteries.
Observation of Superconducting Collective Modes from Competing Pairing Instabilities in Single‐Layer NbSe2
Authors: Wan Wen , Dreher Paul , Muñoz‐Segovia Daniel , Harsh Rishav , Guo Haojie , Martínez‐Galera Antonio J. , Guinea Francisco , de Juan Fernando , Ugeda Miguel M. 
Published: August 2022

AbstractIn certain unconventional superconductors with sizable electronic correlations, the availability of closely competing pairing channels leads to characteristic soft collective fluctuations of the order parameters, which leave fingerprints in many observables and allow the phase competition to be scrutinized. Superconducting layered materials, where electron–electron interactions are enhanced with decreasing thickness, are promising candidates to display these correlation effects. In this work, the existence of a soft collective mode in single‐layer NbSe2, observed as a characteristic resonance excitation in high‐resolution tunneling spectra is reported. This resonance is observed along with higher harmonics, its frequency Ω/2Δ is anticorrelated with the local superconducting gap Δ, and its amplitude gradually vanishes by increasing the temperature and upon applying a magnetic field up to the critical values (TC and HC2), which sets an unambiguous link to the superconducting state. Aided by a microscopic model that captures the main experimental observations, this resonance is interpreted as a collective Leggett mode that represents the fluctuation toward a proximate f‐wave triplet state, due to subleading attraction in the triplet channel. These findings demonstrate the fundamental role of correlations in superconducting 2D transition metal dichalcogenides, opening a path toward unconventional superconductivity in simple, scalable, and transferable 2D superconductors.
Highly Stable Doped Barium Niobate Based Electrocatalysts for Effective Electrochemical Coupling of Methane to Ethylene
Authors: Denoyer Luke H. , Benavidez Angelica , Garzon Fernando H. , Ramaiyan Kannan P. 
Published: August 2022

AbstractMethane conversion into value‐added products such as olefins and aromatics is gaining increased attention in the wake of new natural gas reserve discoveries. Electrochemical oxidative coupling of methane (E‐OCM) provides better product selectivity as the product distribution can be controlled by applied potential as well as the oxide ion flux. Here a new catalyst based on Mg and Fe codoped barium niobate perovskites is reported. The prepared perovskites show excellent chemical stability in CH4‐rich environments up to 925 °C while showing methane activation properties from 600 °C. E‐OCM measurements indicate an ethylene production rate of 277 µmol cm−2 h−1 with a faradaic efficiency of 20% at 1 V and durable operation for six continuous days. X‐ray photoelectron spectroscopic measurements indicate significant Nb valency reorganization that can be the reason for its chemical stability. Nevertheless, the surface area of the catalyst is significantly lower and requires improvements in synthesis methodologies to improve catalytic activity further. The exceptional chemical stability of this perovskite material under methane exposure at high temperatures has significant importance as this material can be used as a catalyst and/or support in a wide variety of applications relevant for efficient energy conversion and storage.
Lignin Nanoparticles as an Interfacial Modulator in Tough and Multi‐Resistant Cellulose–Polycaprolactone Nanocomposites Based on a Pickering Emulsions Strategy
Authors: Kimiaei Erfan , Farooq Muhammad , Grande Rafael , Meinander Kristoffer , Österberg Monika 
Published: August 2022

AbstractFree‐standing nanocellulosic films (nanopapers) emerge as attractive sustainable materials to replace traditional plastics. However, the moisture sensitivity of cellulose and its poor dispersion in hydrophobic polymers are challenges to its widespread application. Harnessing the inherent properties of cellulose, lignin, and polycaprolactone, a Pickering emulsion approach is proposed to produce multifunctional cellulose nanofibril (CNF) nanocomposite films. Aqueous CNF dispersion is combined with hydrophobic polycaprolactone (PCL) using colloidal lignin nanoparticles (CLPs) as the emulsion stabilizer. CNF–PCL nanocomposite films with over 134% increase in dry strength compared to nanocomposites without CLPs are fabricated. This interfacial engineering strategy results in a CNF‐based nanocomposite with wet strength up to 87 MPa without any chemical modification or crosslinking agents. The mechanism behind the achieved excellent dry and wet strength and water resistance is investigated and it is suggested that it is due to the amphiphilic CLPs that are able to form non‐covalent bonds with both cellulose and PCL, thus binding these together. Furthermore, the nanocomposite films’ protection against UV and oxidation is significantly enhanced by increasing the CLPs content. Our proposed interfacial engineering strategy can be generically applied to other polymer systems and shows a great potential to pave the way toward replacing fossil‐based plastics.
Tunable Full‐Color Vectorial Meta‐Holography
Authors: Wan Weiping , Yang Wenhong , Ye Sheng , Jiang Xiong , Han Yue , Feng Hang , Liu Yilin , Gong Qihuang , Xiao Shumin , Li Yan 
Published: August 2022

AbstractVectorial metasurface holograms ar realized through segmenting or interleaving nanostructures to modulate spatial polarization of the reconstructed holography on the imaging plane, but it is still a challenge to achieve full‐color vectorial meta‐holograms with subwavelength meta‐molecules and independent spatial polarization control of reconstructed images. Here, this problem is solved by multiplexing the hologram phase for one circularly polarized light and the conjugated hologram phase for another orthogonal circularly polarized light using only a single nanostructure and then interleaving three kinds of metasurfaces for red, green, and blue light in subwavelength meta‐molecules. By independent control of the phase difference of two overlapped circularly polarized holographic images for each color, the vectorial field on the imaging plane can be freely manipulated at the pixel scale and dynamically changed with the incident polarization. Therefore, the local color and even contrast of the reconstructed full‐color image can be tuned by selecting the incident and output polarization states, demonstrating great potentials in secure optical encryption and dynamic color display.
Usage of Clustering and Weighted Nearest Neighbors for Efficient Missing Data Imputation of Microarray Gene Expression Dataset
Authors: Dubey Aditya , Rasool Akhtar 
Published: August 2022

AbstractA complete dataset is essential for most bioinformatics analytical techniques, including gene expression data categorization, prognosis, and prediction. Due to sensor malfunction, software inability, or human error, the gene sample value may be missing. In gene expression experiments, missing data has a massive effect on analyzing the data obtained. Consequently, this has become a crucial issue requiring an efficient imputation technique to address. This research provided a technique for predicting missing values by using clustering and top K closest neighbor techniques that consider the local similarity pattern. The K‐means method is integrated with a spectral clustering methodology. After optimizing the clustering parameters, cluster size, and weighting criteria, missed gene sample values are estimated. The top K closest neighbor method uses weighted distance to predict the missed gene sample value falling in a specific cluster. Experimental outcomes show that the suggested imputation methodology generates efficient predictions compared to existing imputation techniques. In this research, microarray datasets comprising information from various cancers and tumors are used to experiment with the imputation performance. The primary contribution of this work is that even if the microarray dataset has varied dimensions and features, local similarity‐based approaches may be employed for missing value prediction.
Nature‐Inspired 3D Spiral Grass Structured Graphene Quantum Dots/MXene Nanohybrids with Exceptional Photothermal‐Driven Pseudo‐Capacitance Improvement
Authors: Chang Peng , Mei Hui , Zhao Yu , Pan Longkai , Zhang Minggang , Wang Xiao , Cheng Laifei , Zhang Litong 
Published: August 2022

AbstractSolar‐thermal conversion is considered as a green and simple means to improve the performance of energy storage materials, but often limited by the intrinsic photothermal properties of materials and crude structure design. Herein, inspired by the unique light trapping effect of wide leaf spiral grass during photosynthesis, a biomimetic structural photothermal energy storage system is developed, to further promote the solar thermal‐driven pseudo capacitance improvement. In this system, three‐dimensional printed tortional Kelvin cell arrays structure with interesting light trapping property functions as “spiral leaf blades” to improve the efficiency of light absorption, while graphene quantum dots/MXene nanohybrids with wide photothermal response range and strong electrochemical activity serve as “chloroplast” for photothermal conversion and energy storage. As expected, the biomimetic structure‐enhanced photothermal supercapacitor achieves an ideal solar thermal‐driven pseudo capacitance enhancement (up to 304%), an ultrahigh areal capacitance of 10.47 F cm−2, remarkable photothermal response (surface temperature change of 50.1 °C), excellent energy density (1.18 mWh cm−2) and cycling stability (10000 cycles). This work not only offers a novel enhancement strategy for photothermal applications, but also inspires new structure designs for multifunctional energy storage and conversion devices.
Insight Into Heterogeneous Electrocatalyst Design Understanding for the Reduction of Carbon Dioxide
Authors: Zhang Xiaoyan , Zhang Zhen , Li Haibo , Gao Rui , Xiao Meiling , Zhu Jianbing , Feng Ming , Chen Zhongwei 
Published: August 2022

AbstractThe carbon dioxide reduction reaction (CO2RR) is a promising route to convert CO2 into value‐added chemicals and fuels by utilizing renewable electrical energy, mitigating the greenhouse effect and depletion of fossil fuels for sustainability. Electrocatalyst plays a critical role in CO2RR whereas their rational design for achieving high activity, durability, and selectivity toward specific products confronts great challenge. In this review, rational CO2RR electrocatalyst design as well as essential understanding of nanomaterials in atomic‐, nanoscale‐, and microscale‐level are highlighted. Besides, basic concepts and setup factors related to CO2RR are systematically outlined to provide a clear and comprehensive understanding as guidance. More importantly, the authors discuss and try to uncover the electrocatalyst structure–function relationship with the assistance of electrokinetic studies, in situ characterizations, and computational techniques. Finally, current challenges and prospects are offered to shed light on future design of advanced CO2RR electrocatalysts.
Kinetic Resolution of α‐Hydroxyamide via N‐Heterocyclic Carbene‐Catalyzed Acylation
Authors: Yamada Ken‐ichi , Yamauchi Akiho , Fujiwara Tatsuya , Hashimoto Keiji , Wang Yinli , Kuwano Satoru , Inokuma Tsubasa 
Published: August 2022

AbstractThe effect of N‐substituent of α‐hydroxyamides on the performance of chiral N‐heterocyclic carbene‐catalyzed kinetic resolution was examined. N‐tert‐Butyl‐α‐hydroxyamides provided the best performance and underwent enantioselective acylation with α‐bromo aldehyde by chiral N‐heterocyclic carbene/carboxylate anion co‐catalysis to realize kinetic resolution in high selectivity factor up to 128.
Metal‐Free Electrochemical Carboxylation of Organic Halides in the Presence of Catalytic Amounts of an Organomediator
Authors: Wang Yanwei , Zhao Zhiwei , Pan Deng , Wang Siyi , Jia Kangping , Ma Dengke , Yang Guoqing , Xue Xiao‐Song , Qiu Youai 
Published: August 2022

AbstractHerein, an electroreductive carboxylation of organic carbon‐halogen bonds (X=Br and Cl) promoted by catalytic amounts of naphthalene as an organic mediator is reported. This transformation proceeds smoothly under mild conditions with a broad substrate scope of 59 examples, affording the valuable and versatile carboxylic acids in moderate to excellent yields without the need of costly transition metal, wasted stoichiometric metal reductants, or sacrificial anodes. Further late‐stage carboxylations of natural product and drug derivatives demonstrate its synthetic utility. Mechanistic studies confirmed the activation of carbon‐halogen bonds via single‐electron transfer and the key role of naphthalene in this reaction.
Ion Adsorption and Desorption at the CaF2‐Water Interface Probed by Flow Experiments and Vibrational Spectroscopy
Authors: Ober Patrick , Hunger Johannes , Kolbinger Sophia H. , Backus Ellen H. G. , Bonn Mischa 
Published: August 2022

AbstractThe dissolution of minerals in contact with water plays a crucial role in geochemistry. However, obtaining molecular insight into interfacial chemistry is challenging. Dissolution typically involves the release of ions from the surface, giving rise to a charged mineral surface. This charge affects the interfacial water arrangement, which can be investigated by surface‐specific vibrational Sum Frequency Generation (v‐SFG) spectroscopy. For the fluorite‐water interface, recent spectroscopic studies concluded that fluoride adsorption/desorption determines the surface charge, which contrasts zeta potential measurements assigning this role to the calcium ion. By combining v‐SFG spectroscopy and flow experiments with systematically suppressed dissolution, we uncover the interplay of dominant fluoride and weak calcium adsorption/desorption, resolving the controversy in the literature. We infer the calcium contribution to be orders of magnitude smaller, emphasizing the sensitivity of our approach.
Dietary intake in children on the autism spectrum is altered and linked to differences in autistic traits and sensory processing styles
Authors: Mathew Nisha E. , Mallitt Kylie‐Ann , Masi Anne , Katz Tamarah , Walker Adam K. , Morris Margaret J. , Ooi Chee Y. 
Published: August 2022

AbstractDiets of children and adolescents on the autism spectrum often differ when compared to their non‐autistic peers. Most dietary studies have been limited by small sample sizes and rarely assess the heterogeneity of autism. Addressing this gap, this study compared the anthropometrics, dietary composition, dietary quality, and food variety of 154 Australian children and adolescents on the spectrum and 213 non‐autistic children (71 siblings and 142 unrelated controls). Beyond the case‐control approach, within‐group comparisons assessed the influence of autism clinical presentations and sensory processing styles on body mass index (BMI) and measures of dietary intake among those on the spectrum. In this word first study of diet that included between‐group comparisons with non‐autistic peers (siblings and an unrelated comparison group) and within‐autism group comparisons, we found that children on the spectrum consumed limited variety and lower quality of food and non‐autistic siblings also ate comparably higher levels of energy‐dense, nutrient poor food, and less diary. This may be due to autistic traits influencing family's diets or shared sensory sensitivities driving dietary intake. Within the autism group, higher autistic traits were associated with lower BMIs and a specific dietary pattern higher in simple carbohydrates and lower in unprocessed protein. Contrastingly, greater sensitivity to sensory stimuli was associated with a healthier diet. Increased age was linked to more varied diets but also diets higher in saturated fats and energy‐dense, nutrient poor foods. Overall, this research highlights that potential mediators of dietary intake, such as familial influences, autistic traits, sensory processing styles, age and sex, need to be considered when assessing diet in the autistic population.Lay SummaryIn this study of dietary differences linked to autism, children, and teenagers on the spectrum ate fewer different foods and were less likely to eat recommended amounts of fruits and vegetables when compared to non‐autistic siblings and unrelated children and teenagers. There were also family differences, in that those on the spectrum and their siblings ate more unhealthy foods and less dairy. Among those on the spectrum, dietary differences were linked to age, sex, autistic traits and sensory processing styles.
Instandsetzung von Tiefgaragen – Wann und warum?
Authors: Valcarcel Juan Mauricio Lozano , Gehlen Christoph , Kränkel Thomas , Schießl‐Pecka Angelika 
Published: August 2022

AbstractExistierende Modelle zur Bewertung der Dauerhaftigkeit von Stahlbetonbauten erlauben es, den durch den Zuverlässigkeitsindex charakterisierten grenzzustandsbezogenen Zustand des Bauwerks während der Nutzungsdauer zu prognostizieren. Ferner kann ein fester (Grenz‐)Wert für die Zuverlässigkeit definiert werden, der sich auf eine maximal akzeptable Auftretenswahrscheinlichkeit eines ausgewählten (ungewollten) Ereignisses (Grenzzustand) bezieht. Je schlechter der Zustand, desto höher die zu erwartenden Instandsetzungskosten. Gelingt es, die zu erwartenden Instandsetzungskosten in Abhängigkeit vom Zuverlässigkeitsindex zu beschreiben, könnten so Instandsetzungszeitpunkte kostenoptimal festgelegt werden. Daher wurden Gutachten mit umfangreich dokumentierten Inspektionsergebnissen und zugehörigen Kosten durchgeführter Tiefgarageninstandsetzungen analysiert. Hauptursache für die Instandsetzungen war stets chloridinduzierte Bewehrungskorrosion. Es wurden drei Näherungsmethoden zur Abschätzung der Zuverlässigkeit an Stütz‐ und Wandfüßen verwendet und miteinander verglichen. Die so bestimmten Bauteilzuverlässigkeiten wurden dann mit den jeweils real angefallenen Instandsetzungskosten in Beziehung gesetzt. Auf Bauwerksebene konnte zunächst kein eindeutiger Zusammenhang zwischen Zuverlässigkeit und Instandsetzungskosten hergestellt werden. Auf Bauteilebene gelang dies jedoch bei einem Projekt. Dies liefert einen Ausgangspunkt zur kostenoptimierten Festlegung von Instandsetzungszeitpunkten.
Data‐driven based double‐layer bicycle simulation model
Authors: Mao Tianlu , Fang Zhong , Yan Qinyuan , Meng Ruoyu , Liu Shaohua , Wang Zhaoqi 
Published: August 2022

AbstractBicycle motion simulation is fundamental to urban transportation planning, virtual reality and other areas. This article proposes a data‐driven based double‐layer bicycle simulation model to consider the cyclist's decision‐making process and the bicycle's kinematic structure. This proposed model consists of two layers, the decision‐making layer and the motion layer. First, the decision‐making layer using machine learning algorithms models the decision‐making process as a regression problem to output the cyclist's decision. Then, the motion layer applies a bicycle kinematics model to output bicycle motion under physical constraints. In addition, a solution to calculate bicycles' dynamic information is proposed for the data‐driven method. Quantitative and qualitative experiments have been conducted, and results show that the double‐layer model and the parameter calculation solution can generate realistic bicycle motion simulations.
Based on UPLC/MS/MS and Bioinformatics Analysis to Explore the Difference Substances and Mechanism of Curcumae Radix (Curcuma wenyujin) in Dysmenorrhea
Authors: Qin Yuwen , Fei Chenghao , Zhang Wei , Su Lianlin , Ji De , Bian Zhenhua , Wang Meng , Li Yu , Mao Chunqin , Zhao Xiaoli , Lu Tulin 
Published: August 2022

AbstractBackground: Curcumae Radix (CW) is traditionally used to treat dysmenorrhea caused by uterine spasm. However, the changes of its composition and anti‐uterine spasms during vinegar processing and the mechanism in treating dysmenorrhea are not clear. Objective: To elucidate the changes of anti‐uterine spasm and its substance basis, and the mechanism of treating dysmenorrhea before and after vinegar processing. Methods: The uterine spasm contraction model was established, and the uterine activity and its inhibition rate were calculated to evaluate the differences. The main chemical constituents of CW were quickly analyzed by UPLC‐Q‐TOF‐MS/MS technology, and the differences between them were explored by multivariate statistical analysis. Then, the regulatory network of “active ingredients‐core targets‐signal pathways” related to dysmenorrhea was constructed by using network pharmacology, and the combination between differential active components and targets was verified by molecular docking. Results: CW extract relaxed the isolated uterine by reducing the contractile tension, amplitude, and frequency. Compared with CW, the inhibitory effect of vinegar products was stronger, and the inhibition rate was 70.08 %. 39 compounds were identified from CW and 13 differential components were screened out (p<0.05). Network pharmacology screened 11 active components and 32 potential targets, involving 10 key pathways related to dysmenorrhea. The results of molecular docking showed that these differentially active components had good binding activity to target. Conclusion: It was preliminarily revealed that CW could treat dysmenorrhea mainly through the regulation of inflammatory reaction, relaxing smooth muscle and endocrine by curcumenone, 13‐hydroxygermacrone, (+)‐cuparene, caryophyllene oxide, zederone, and isocurcumenol.