bluuebunny/crossref_metadata_2025_split huggingface dataset:
Non‐Monotonic Variation of the Low Lattice Thermal Conductivity with Temperature in Penta‐HgO2 Sheet
Authors: Hussain Asghar , Zhang Chenxin , Hou Changsheng , Wang Qian 
Published: September 2024

AbstractInspired by the experimental synthesis of bulk HgO2 with the potential of exfoliation to form a penta‐HgO2 sheet composed entirely of pentagonal motifs, a detailed theoretical study on the lattice thermal conductivity by using first‐principles calculations combined with the unified theory of thermal transport is performed. It is found that the penta‐HgO2 sheet is semiconducting with an indirect bandgap of 1.18 eV and possesses a low lattice thermal conductivity of 2.07 W m−1 K−1 (3.28 W m−1 K−1) along the x (y)‐direction at 300 K. More interestingly, the variation of its thermal conductivity with temperature is non‐monotonic, different from most cases. The phonon dispersion, phonon scattering, and phonon coherence is further systematically investigated to understand the underlying physics. This results suggest that the strong intrinsic anharmonicity resulting from its unique atomic configuration with the buckled structure and the heavy element of Hg leads to a high scattering rate, resulting in the ultralow particle‐like thermal transport of 0.20 W m−1 K−1 (0.01 W m−1 K−1) in the x (y)‐direction, while the narrow average frequency interval and strong phonon linewidth are responsible for the dominant coherent thermal transport and non‐monotonic variation of the low lattice thermal conductivity of the penta‐HgO2 sheet.
Continuous Oral Administration of the Superantigen Staphylococcal Enterotoxin C2 Activates Intestinal Immunity and Modulates the Gut Microbiota in Mice
Authors: Gu Wu , Zhang Huiwen , Zhang Zhichun , Xu Mingkai , Li Xiang , Han Zhiyang , Fu Xuanhe , Li Xu , Wang Xiujuan , Zhang Chenggang 
Published: September 2024

AbstractStaphylococcal Enterotoxin C2 (SEC2), a classical superantigen, is an antitumor immunotherapy agent. However, the injectable formulation of SEC2 limits its clinical application. Here, it is reported that oral administration of SEC2 activates the intestinal immune system and benefits intestinal health in a mouse model. These results indicate that intact SEC2 is detected in the stomach, intestine, and serum after oral administration. Continuous oral administration of SEC2 activates immune cells in gut‐associated lymphoid tissues, promoting extensive differentiation and proliferation of CD4+ and CD8+ T cells and CD19+ B cells, leading to increased production of cytokines and secretory immunoglobulin A. SEC2 also enhances intestinal barrier function, as demonstrated by an increased villus length/crypt depth ratio and elevated expression of mucins and tight junction proteins. Additionally, SEC2 indirectly influenced gut microbiota, reinforcing potential probiotics and short‐chain fatty acid synthesis. Enhanced differentiation of T and B cells in the spleen, coupled with elevated serum interleukin‐2 levels, suggests systemic immune enhancement following oral administration of SEC2. These findings provide a scientific basis for the development of SEC2 as an oral immunostimulant for immune enhancement and anti‐tumor immunotherapy.
Biowaste‐Derived Triboelectric Nanogenerators for Emerging Bioelectronics
Authors: Bhaduri Abhisikta , Ha Tae‐Jun 
Published: September 2024

AbstractTriboelectric nanogenerators (TENGs) combine contact electrification and electrostatic induction effects to convert waste mechanical energy into electrical energy. As conventional devices contribute to electronic waste, TENGs based on ecofriendly and biocompatible materials have been developed for various energy applications. Owing to the abundance, accessibility, low cost, and biodegradability of biowaste (BW), recycling these materials has gained considerable attention as a green approach for fabricating TENGs. This review provides a detailed overview of BW materials, processing techniques for BW‐based TENGs (BW‐TENGs), and potential applications of BW‐TENGs in emerging bioelectronics. In particular, recent progress in material design, fabrication methods, and biomechanical and environmental energy‐harvesting performance is discussed. This review is aimed at promoting the continued development of BW‐TENGs and their adoption for sustainable energy‐harvesting applications in the field of bioelectronics.
Alkali Metals Activated High Entropy Double Perovskites for Boosted Hydrogen Evolution Reaction
Authors: Sun Ning , Lai Zhuangzhuang , Ding Wenbo , Li Wenbo , Wang Tianyi , Zheng Zhichuan , Zhang Bowen , Dong Xiangjiang , Wei Peng , Du Peng , Hu Zhiwei , Pao Chih‐Wen , Huang Wei‐Hsiang , Wang Haifeng , Lei Ming , Huang Kai , Yu Runze 
Published: September 2024

AbstractAn efficient and facile water dissociation process plays a crucial role in enhancing the activity of alkaline hydrogen evolution reaction (HER). Considering the intricate influence between interfacial water and intermediates in typical catalytic systems, meticulously engineered catalysts should be developed by modulating electron configurations and optimizing surface chemical bonds. Here, a high‐entropy double perovskite (HEDP) electrocatalyst La2(Co1/6Ni1/6Mg1/6Zn1/6Na1/6Li1/6)RuO6, achieving a reduced overpotential of 40.7 mV at 10 mA cm−2 and maintaining exemplary stability over 82 h in a 1 m KOH electrolyte is reported. Advanced spectral characterization and first‐principles calculations elucidate the electron transfer from Ru to Co and Ni positions, facilitated by alkali metal‐induced super‐exchange interaction in high‐entropy crystals. This significantly optimizes hydrogen adsorption energy and lowers the water decomposition barrier. Concurrently, the super‐exchange interaction enhances orbital hybridization and narrows the bandgap, thus improving catalytic efficiency and adsorption capacity while mitigating hysteresis‐driven proton transfer. The high‐entropy framework also ensures structural stability and longevity in alkaline environments. The work provides further insights into the formation mechanisms of HEDP and offers guidelines for discovering advanced, efficient hydrogen evolution catalysts through super‐exchange interaction.
High‐Entropy Materials for Prospective Biomedical Applications: Challenges and Opportunities
Authors: Chang Ling , Jing Haochuan , Liu Chao , Qiu Chuantian , Ling Xiang 
Published: September 2024

AbstractWith their unique structural characteristics, customizable chemical composition, and adjustable functional characteristics, high‐entropy materials (HEMs) have triggered a wide range of interdisciplinary research, especially in the biomedical field. In this paper, the basic concept, core properties, and preparation methods of HEMs are first summarized, and then the application and development of HEMs in the field of biomedical are briefly described. Subsequently, based on the diverse and comprehensive properties of HEMs and a few reported cases, the possible application scenarios of HEMs in biological fields such as biosensors, antibacterial materials, therapeutics, bioimaging, and tissue engineering are prospectively predicted and discussed. Finally, their potential advantages and major challenges is summarized, which may provide useful guidance and principles for researchers to develop and optimize novel HEMs.
Semantic–Electromagnetic Inversion With Pretrained Multimodal Generative Model
Authors: Chen Yanjin , Zhang Hongrui , Ma Jie , Cui Tie Jun , del Hougne Philipp , Li Lianlin 
Published: September 2024

AbstractAcross diverse domains of science and technology, electromagnetic (EM) inversion problems benefit from the ability to account for multimodal prior information to regularize their inherent ill‐posedness. Indeed, besides priors that are formulated mathematically or learned from quantitative data, valuable prior information may be available in the form of text or images. Besides handling semantic multimodality, it is furthermore important to minimize the cost of adapting to a new physical measurement operator and to limit the requirements for costly labeled data. Here, these challenges are tackled with a frugal and multimodal semantic–EM inversion technique. The key ingredient is a multimodal generator of reconstruction results that can be pretrained, being agnostic to the physical measurement operator. The generator is fed by a multimodal foundation model encoding the multimodal semantic prior and a physical adapter encoding the measured data. For a new physical setting, only the lightweight physical adapter is retrained. The authors’ architecture also enables a flexible iterative step‐by‐step solution to the inverse problem where each step can be semantically controlled. The feasibility and benefits of this methodology are demonstrated for three EM inverse problems: a canonical two‐dimensional inverse‐scattering problem in numerics, as well as three‐dimensional and four‐dimensional compressive microwave meta‐imaging experiments.
Endocytosis‐Inspired Zwitterionic Gel Tape for High‐Efficient and Sustainable Underoil Adhesion
Authors: Tang Yueman , Si Mengjie , Wang Yan‐jie , Zhou Jiahui , Deng Yuming , Xia Kaishun , Jiang Zhen , Zhang Dong , Zheng Si Yu , Yang Jintao 
Published: September 2024

AbstractMarine oil exploration is important yet greatly increases the risk of oil leakage, which will result in severe environment pollution and economic losses. It is an urgent need to develop effective underoil adhesives. However, realizing underoil adhesion is even harder than those underwater, due to the stubborn attachment of a highly viscous oil layer on target surface. Here, inspired by endocytosis, a tough gel tape composed of zwitterionic polymer network and zwitterionic surfactants is developed. The amphiphilic surfactants can form micelle to capture the oil droplets and transport them from the interface to gel via electrostatic attraction of polymer backbone, mimicking the endocytosis and achieving robust underoil adhesion. Benefiting from the oil‐resistance of polymer backbone, the gel further realizes a combination of i) long‐term adhesion with high durability, ii) repeated adhesion in oil, and iii) renewable adhesion efficiency after exhausted use. The tape exhibits an ultra‐high adhesive toughness of 2446.86 J m−2 to stainless steel in silicone oil after 30 days' oil‐exposure; such value of adhesive toughness surpasses many of those achieved in underwater adhesion and is greater than underoil adhesion performance of commercial tape. The strategy illustrated here will motivate the design of sustainable and efficient adhesives for wet environments.
Chemical Looping Ammonia Decomposition Mediated by Alkali Metal and Amide Pairs for H2 Production and Thermal Energy Storage
Authors: Feng Sheng , Gao Wenbo , Wang Runze , Guan Yeqin , Wu Han , Wang Qianru , Cao Hujun , Liu Lin , Guo Jianping , Chen Ping 
Published: September 2024

AbstractAmmonia decomposition to H2 (ADH) is one of the key reactions in the ammonia‐based energy system. Recent research has been focused on developing more active and affordable catalysts, however, few can operate below 500 °C and typically require the expensive metal ruthenium. Herein, a fundamentally different thermal ADH via a chemical looping process (CLADH) mediated by alkali metal and its amide pairs, which can work under lower temperatures than the catalytic process, is reported. This CLADH consists of two steps: 1) Ammoniation step ̶ NH3 reacts with Na or K to generate NaNH2 or KNH2, respectively, accompanied by releasing one‐third of H2 in NH3 at room temperature; 2) Decomposition step ̶ NaNH2 or KNH2 decomposes to N2 and H2 with the regeneration of Na or K which can be performed above 275 °C. Additionally, due to the significant enthalpy change in the two‐step reactions of this CLADH, −78.0 kJ mol−1 for the first step and 123.9 kJ mol−1 for the second, using the Na and NaNH2 pair—suggest potential for thermal energy storage. This work not only reports an alternative route to produce H2 from NH3, but also unravels the potential of chemical looping process for thermal energy storage.
Selective Recycling of Spent Lithium‐Ion Batteries Enables Toward Aqueous Zn‐Ion Batteries Cathode
Authors: Lv Xiao Wei , Lin Jiao , Zhang Xiao Dong , Huang Qing Rong , Sun Xuan , Fan Er Sha , Chen Ren Jie , Wu Feng , Li Li 
Published: September 2024

AbstractEffective selective recycling of spent lithium‐ion batteries (S‐LIBs) and giving recycled products a “second life” are crucial for advancing energy supply circularity, environmental and economic sustainability development. However, separating metal compounds with similar charge differences requires substantial energy, water, and chemical inputs. Herein, an innovative strategy is present for selective recycling S‐LIBs by photoexcitation inspired by the Hard Soft Acid Base (HSAB) principle. Theoretical calculations and experimental results show that photoexcitation drives charge transfer and modulates subtle charge density differences among metal components, thereby enhancing their solubility disparity and facilitating metal separation. Remarkably, the photoexcitation‐induced metal separation factor reaches 46900 and the metal recovery efficiency approaches 100%, representing a significant improvement over non‐photoexcitation separation with a separation factor of non‐photoexcitation of merely 2.7. Through techno‐economic analysis, the viability of photoexcitation selective recycling technology has been confirmed as an eco‐friendly and economical approach for battery recycling. Furthermore, high‐value reuse of recovered Mn components is implemented. The Recycled Mn components are treated by calcination to obtain porous, defect‐rich Mn2O3, which showed a specific capacity of 613 mAh g−1 at 0.1 A g−1) in aqueous Zn‐ion batteries (AZIBs). This work provides fresh insight into recycling S‐LIBs and moving toward more sustainable storage technologies.
TMSOTf‐Catalyzed Annulation of Ynamides with Alkynyl Sulfoxides to Construct Substituted Maleimides
Authors: Wang Nanfang , Fang Wozheng , Yan Yu , Sun Nan , Chang Junbiao , Wang Xiao‐Na 
Published: September 2024

AbstractA TMSOTf‐catalyzed annulation was developed for the construction of polysubstituted maleimides from ynamides and alkynyl sulfoxides, using oxygen as a green oxidant and ynamides as both carbon and nitrogen sources. This novel protocol proceeds in the presence of TMSOTf without the need for an expensive catalytic system and tolerates a broad substrate scope, providing a variety of maleimides in generally moderate to good yields under mild reaction conditions.
The intersectional effects of sex and socioeconomic status on risk of mortality in industrializing England
Authors: Yaussy Samantha L. 
Published: September 2024

AbstractObjectivesIntersectionality posits that multiple levels of marginalization interact to produce patterns of frailty and mortality, both today and in the past. To investigate how mortality during industrialization was selective with respect to sex and socioeconomic status (SES), this study analyzes data from four burial grounds dated to the 18th–19th centuries in England: St. Bride's Fleet Street, Coach Lane, St. Peter's Collegiate Church, and New Bunhill Fields.Materials and MethodsSt. Bride's was considered the high SES group, and Coach Lane, St. Peter's, and New Bunhill Fields were separately and collectively analyzed as the low SES groups. Sex (in individuals aged 18+ years) was modeled as a covariate affecting the Gompertz model of mortality, and SES (in individuals for whom age could be estimated) was modeled as a covariate affecting the Siler and Gompertz models of mortality.ResultsThe results indicate that sex influenced risk of mortality among adults in the high SES group. High SES males faced lower risks of death compared to high SES females. The results also suggest that SES influenced risk of mortality across all ages. High SES individuals were at reduced risks of death compared to low SES individuals.ConclusionsIncreased mortality risks among individuals of low SES was likely due to the low standards of living common in the impoverished areas of cities in industrializing England. However, in accordance with intersectionality, the benefits of high status were unequally distributed among adults in the high SES group, suggesting that men were the primary beneficiaries of the protective aspects of high SES.
DNA‐Origami‐Vesikel‐Sensoren für gesteuerten Einzelmolekül‐Frachttransfer
Authors: Büber Ece , Yaadav Renukka , Schröder Tim , Franquelim Henri G. , Tinnefeld Philip 
Published: September 2024

AbstractVoraussetzung für Interaktionen mit lebenden Organismen ist in der Regel der Zugang zur Lipidmembran eines zellulären Systems. Für einen Nanoroboter, der mit einer Zelle interagiert, ist es deshalb zunächst wichtig eine Bindung an die Lipidmembran zu erkennen. Wir stellen in dieser Arbeit einen DNA‐Origami‐Biosensor vor, der Einzelmolekül‐Fluoreszenz‐Resonanz‐Energie‐Transfer (smFRET) als Transduktionsmechanismus nutzt, um Lipidvesikel präzise zu erkennen und der in der Lage ist Biomoleküle zu bewegen. Das System basiert auf einzelsträngiger DNA (ssDNA), die aus einer DNA‐Origami‐Nanostruktur herausragt und mit dem hydrophoben Farbstoff ATTO647N modifiziert ist. In einer Umgebung ohne Vesikel rollt sich die ssDNA zusammen, was zu einer hohen FRET‐Effizienz führt. Die Bindung eines Vesikels an Cholesterinanker auf dem DNA‐Origami bewirkt, dass durch das hydrophobe ATTO647N die ssDNA in Richtung der Lipiddoppelschicht verdrängt wird und sich dabei ausdehnt. Die größere Distanz zum FRET‐Donor im Origami resultiert in geringerer FRET‐Effizienz. Der Sensorstrang dient außerdem als molekulare Fracht, die durch eine ausgelöste Strangverschiebungsreaktion auf das Vesikel übertragen werden kann. Je nachdem, mit wie vielen Cholesterin‐Molekülen die Verdrängungsstränge funktionalisiert sind, wird die fluoreszierende Fracht entweder über Diffusion in benachbarte Vesikel übertragen oder eine stöchiometrische Anzahl an einzelnen Frachtgütern in das Vesikel auf dem Nanosensor übertragen. Unsere multifunktionale Plattform für Liposom‐Interaktion und Detektion eröffnet somit neue Möglichkeiten für innovative Anwendungen von Biosensoren und die gezielte, stöchiometrische Beladung von Vesikeln mit Einzelmolekülkontrolle.
Anion Chemistry towards On‐Site Construction of Solid‐Electrolyte Interface for Highly Stable Metallic Zn Anode
Authors: Yao Hong , Li Yuhang , Chen Zibo , Chen Jianyu , Du Cheng‐Feng , Chen Yingqian , Chen Junze , Wong Ming Wah , Zhao Jin , Yuan Du 
Published: September 2024

AbstractReversibility of metallic Zn anode serves as the corner stone for the development of aqueous Zn metal battery, which motivates scrutinizing the electrolyte‐Zn interface. As the representative organic zinc salt, zinc trifluorosulfonate (Zn(OTf)2) facilitates a broad class of aqueous electrolytes, however, the stability issue of Zn anode remains crucial. The great challenge lies in the lack of Zn anode protection by the pristinely formed surface structure in aqueous Zn(OTf)2 electrolytes. Accordingly, an electrochemical route was developed to grow a uniform zinc trifluorosulfonate hydroxide (ZTH) layer on Zn anode as an artificial SEI, via regulation on metal dissolution and strong coordination ability of zinc ions. Co‐precipitation was proposed to be the formation mechanism for the artificial SEI, where the reduction stability of OTf− anion and the low‐symmetry layer structure of ZTH was unmasked. This artificial SEI favors interfacial kinetics, depresses side reactions, and well maintains its integrity during cycling, leading to a prolonged lifespan of Zn stripping/plating with a high DOD of ~85 %, and an improved cycling stability of ~92 % retention rate for V2O5/Zn cell at 1 A g−1. The unveiled role of anion on Zn anode drives the contemplation on the surface chemistry for the blooming aqueous rechargeable battery.
Carbonylation Reactions at Carbon‐Centered Radicals with an Adjacent Heteroatom
Authors: Wang Le‐Cheng , Wu Xiao‐Feng 
Published: September 2024

AbstractHeteroatoms are essential to living organisms and present in almost all molecules with medicinal usage. The catalytic functionalization at the carbon‐centered radical with an adjacent heteroatom provides an effective way to value added moiety while retaining the unique physicochemical and pharmacological properties of heteroatoms, which can promote the development of pharmaceutical and fine chemical production. Carbonylative transformation was discovered nearly a century ago which is an efficient method for the synthesis of carbonyl‐containing molecules with potent applications in both industry and academia. Despite numerous advances in new reaction development, carbonylative transformation involving adjacent heteroatom carbon radical remain a subject that deserves to be discussed. In this minireview, we systematically summarized and discussed the recent advances in carbonylative transformations involving carbon‐centered radicals with an adjacent heteroatom, including oxygen (O), nitrogen (N), phosphorus (P), silicon (Si), sulfur (S), boron (B), fluorine (F), and chlorine (Cl). The related reaction mechanism was also discussed.
Cascading Macrocycle and Helix Motions in a Foldarotaxane Molecular Shuttle
Authors: Hess Robin , Brenet Marius , Rajaonarivelo Haingo , Gauthier Maxime , Koehler Victor , Waelès Philip , Huc Ivan , Ferrand Yann , Coutrot Frédéric 
Published: September 2024

AbstractThe design of a dynamically assembled foldarotaxane was envisioned with the aim of operating as a two cascading trigger‐based molecular shuttle. Under acidic conditions, both the macrocycle and helix were localized around their respective best molecular stations because they are far enough from each other not to alter the stability of complexes. The pH‐dependent localization of the macrocycle along the encircled axle allowed us to modulate the association between the helical foldamer and its sites of interaction on the axle. Under kinetic control—at low concentration and room temperature—when the foldarotaxane supramolecular architecture is kinetically stable, the pH‐responsive translation of the macrocycle along the thread triggered the gliding of the helix away from its initial best station. At higher concentration—when helix assembly/disassembly process is accelerated—the system reached the equilibrium state. A new foldarotaxane isomer then appeared through the change of the relative position of the helix and macrocycle along the thread. In this isomer, the helix segregated the macrocycle away from its best station. The fine control of the kinetic and thermodynamic processes, combined with the control of pH, allowed the reciprocal segregation of the helix or the ring away from their respective best sites of interaction.
A High‐Quality Photoswitchable Probe that Selectively and Potently Regulates the Transcription Factor RORγ
Authors: Reynders Martin , Willems Sabine , Marschner Julian A. , Wein Thomas , Merk Daniel , Thorn‐Seshold Oliver 
Published: September 2024

AbstractRetinoic acid receptor‐related orphan receptor γ (RORγ) is a nuclear hormone receptor with multiple biological functions in circadian clock regulation, inflammation, and immunity. Its cyclic temporal role in circadian rhythms, and cell‐specific activity in the immune system, make it an intriguing target for spatially and temporally localised pharmacology. To create tools that can study RORγ biology with appropriate spatiotemporal resolution, we designed light‐dependent inverse RORγ agonists by building azobenzene photoswitches into ligand consensus structures. Optimizations gave photoswitchable RORγ inhibitors combining a large degree of potency photocontrol, with remarkable on‐target potency, and excellent selectivity over related off‐target receptors. This still rare combination of performance features distinguishes them as high quality photopharmaceutical probes, which can now serve as high precision tools to study the spatial and dynamic intricacies of RORγ action in signaling and in inflammatory disorders.