bluuebunny/crossref_metadata_2025_split huggingface dataset:
Microstructure Strain of ZnMn2O4 Spinel by Regulation of Tetrahedral Sites for High‐Performance Aqueous Zinc‐Ion Battery
Authors: Wang Chuan , Xiao Bo‐Hao , Huang Jiale , Xiao Kang , Liu Zhao‐Qing 
Published: May 2024

AbstractManganese oxides are widely used as cathode materials in aqueous zinc‐ion batteries (AZIBs) due to their low cost, multiple oxidation states, and high theoretical specific capacity. However, the further development of Mn‐based oxides is severely hindered by poor structural reversibility and sluggish reaction kinetics. Herein, a microstructure strain strategy is proposed to regulate the microstructure of MnO6 in ZnMn2O4 (ZMO) through partial atomic substitution on tetrahedral sites. The Ni substitution of ZMO (ZNxMO) with enlarged crystal plane spacing, increased Mn─O bond binding energy, and enhanced oxygen vacancy defects exhibits superior structural stability and faster ion transport kinetics. Correspondingly, the ZN0.5MO/NCNTs cathode delivers a favorable high specific capacity of 239.2 mAh g−1 at 0.1 A g−1 with excellent rate performance as well as longer‐term cycle life (over 3000 cycles at 1.0 A g−1). The outstanding performance of ZNxMO is deeply rooted in its Zn2+‐transport friendly in asymmetric MnO6 channel and the structure reversibility during the Zn2+‐intercalation/deintercalation process. This study provides an excellent example of using a microstructure strain strategy to design stable and high‐specific capacity manganese‐based cathode materials for Zn storage.
Porous Structure‐Electrochemical Performance Relationship of Carbonaceous Electrode‐Based Zinc Ion Capacitors
Authors: Xiao Kang , Jiang Xudong , Zeng Siping , Chen Jierui , Hu Ting , Yuan Kai , Chen Yiwang 
Published: May 2024

AbstractThe porous structure is critical for carbonaceous electrode‐based zinc‐ion capacitors (ZICs) to achieve excellent electrochemical performance, but the corresponding porous structure‐electrochemical performance relationship is yet to be fully understand. Herein, three types of N‐doped carbons with different porous structures are developed to investigate the relationship between the pore size distribution and the electrochemical performance of the devices. The optimized porous carbon (LVCR) exhibits large electrochemical surface area, plentiful oxygen functional groups, and hierarchical porous structure that facilitates electron transfer and ion diffusion. Consequently, the LVCR‐based ZIC exhibits a remarkable peak power density of 31.4 kW kg−1 and an impressive specific energy density of 126.6 Wh kg−1. Moreover, it demonstrates exceptional longevity, retaining the capacitance of 97.7% even after undergoing 50 000 cycles. Systematic characterization demonstrates that the macroporous and mesoporous structures determine the different stages of Zn2+ storage kinetics. The excellent Zn2+ storage and electrochemical performance of LVCR are attributed to the fast ion transport channels provided by the hierarchical porous structure and facilitated reversible chemisorption and desorption. This work not only deepens the understanding of charge storage mechanism, but also provides guidelines for rationally designing carbonaceous materials toward high‐performance ZICs in the view of porous structure‐electrochemical performance relationship.
Probing the Superconductivity Limit of Li‐Doped Graphene
Authors: Yang Qiuping , Zhang Huimin , Zhao Jijun , Jiang Xue 
Published: May 2024

AbstractThe introduction of superconductivity in graphene systems is highly desirable from both fundamental physics and application perspectives. In this article, a superlattice strategy to develop a series of Li‐doped graphene is reported: deposition type‐I (Li2C6, Li2C8, LiC6, Li3C24, LiC12, LiC16, Li2C36, LiC24), intercalation type‐II (LiC4, Li2C12, LiC8, LiC12, LiC16), and coexisting deposition and intercalation type‐III (Li3C12). With increasing concentration of Li atoms, both metallicity, and electron–phonon coupling (EPC) has dramatically increased, which is favorable for the emergence of superconductivity in the screened Li–C compounds. Notably, graphene superlattice structures with intercalated Li2 atoms have higher stability, while Li1‐deposited graphene at the same concentration produces higher Tc. Among them, type‐I‐Li2C6, type‐I‐Li2C8, type‐II‐LiC4, and type‐III‐Li3C12 are phonon‐mediated superconductors with high transition temperatures (Tc) of 18, 12, 3.4, and 14 K, respectively. The EPC of type‐I‐Li2C6, type‐I‐Li2C8, and type‐III‐Li3C12 mainly arises from the coupling of the C‐2pz electron states with the low‐frequency (0–800 cm−1) deposition‐Lixy/Liz, and out‐of‐plane‐Cz vibrations. In contrast, the high‐frequency (800–1600 cm−1) vibration modes of in‐plane‐Cxy atoms are mainly responsible for the Tc of type‐II‐LiC4. The findings provide comprehensive insights into the superconductivity limit of Li‐doped graphene.
Defining Biomarkers in Stem Cell‐Derived Tissue Constructs for Drug and Disease Screening
Authors: Harris Alexander R. , McGivern Patrick , Gilbert Frederic , Van Bergen Nicole 
Published: May 2024

AbstractThe development of stem cell‐derived tissue constructs (SCTCs) for clinical applications, including regenerative medicine, drug and disease screening offers significant hope for detecting and treating intractable disorders. SCTCs display a variety of biomarkers that can be used to understand biological mechanisms, assess drug interactions, and predict disease. Although SCTCs can be derived from patients and share the same genetic make‐up, they are nevertheless distinct from human patients in many significant ways, which can undermine the clinical significance of measurements in SCTCs. This study defines biomarkers, how they apply to SCTCs, and clarifies specific ethical issues associated with the use of SCTCs for drug and disease screening.
Pt1.8Pd0.2CuGa Intermetallic Nanocatalysts with Enhanced Methanol Oxidation Performance for Efficient Hybrid Seawater Electrolysis
Authors: Xu Kaiyang , Liang Lecheng , Li Tong , Bao Mujie , Yu Zhipeng , Wang Jingwei , Thalluri Sitaramanjaneya Mouli , Lin Fei , Liu Quanbing , Cui Zhiming , Song Shuqin , Liu Lifeng 
Published: May 2024

AbstractSeawater electrolysis is a potentially cost‐effective approach to green hydrogen production, but it currently faces substantial challenges for its high energy consumption and the interference of chlorine evolution reaction (ClER). Replacing the energy‐demanding oxygen evolution reaction with methanol oxidation reaction (MOR) represents a promising alternative, as MOR occurs at a significantly low anodic potential, which cannot only reduce the voltage needed for electrolysis but also completely circumvents ClER. To this end, developing high‐performance MOR catalysts is a key. Herein, a novel quaternary Pt1.8Pd0.2CuGa/C intermetallic nanoparticle (i‐NP) catalyst is reported, which shows a high mass activity (11.13 A mgPGM−1), a large specific activity (18.13 mA cmPGM−2), and outstanding stability toward alkaline MOR. Advanced characterization and density functional theory calculations reveal that the introduction of atomically distributed Pd in Pt2CuGa intermetallic markedly promotes the oxidation of key reaction intermediates by enriching electron concentration around Pt sites, resulting in weak adsorption of carbon‐containing intermediates and favorable adsorption of synergistic OH− groups near Pd sites. MOR‐assisted seawater electrolysis is demonstrated, which continuously operates under 1.23 V for 240 h in simulated seawater and 120 h in natural seawater without notable degradation.
Oxygen Doping Cooperated with Co‐N‐Fe Dual‐Catalytic Sites: Synergistic Mechanism for Catalytic Water Purification within Nanoconfined Membrane
Authors: Wang Ziwei , Yi Zhigang , Wong Lok Wing , Tang Xiang , Wang Hou , Wang Han , Zhou Chengyun , He Yangzhuo , Xiong Weiping , Wang Guangfu , Zeng Guangming , Zhao Jiong , Xu Piao 
Published: May 2024

AbstractAtom‐site catalysts, especially for graphitic carbon nitride‐based catalysts, represents one of the most promising candidates in catalysis membrane for water decontamination. However, unravelling the intricate relationships between synthesis‐structure–properties remains a great challenge. This study addresses the impacts of coordination environment and structure units of metal central sites based on Mantel test, correlation analysis, and evolution of metal central sites. An optimized unconventional oxygen doping cooperated with Co‐N‐Fe dual‐sites (OCN Co/Fe) exhibits synergistic mechanism for efficient peroxymonosulfate activation, which benefits from a significant increase in charge density at the active sites and the regulation in the natural population of orbitals, leading to selective generation of SO4•−. Building upon these findings, the OCN‐Co/Fe/PVDF composite membrane demonstrates a 33 min−1 ciprofloxacin (CIP) rejection efficiency and maintains over 96% CIP removal efficiency (over 24 h) with an average permeance of 130.95 L m−2 h−1. This work offers a fundamental guide for elucidating the definitive origin of catalytic performance in advance oxidation process to facilitate the rational design of separation catalysis membrane with improved performance and enhanced stability.
Vertically Oriented Quasi‐2D Perovskite Grown In‐Situ by Carbonyl Array‐Synergized Crystallization for Direct X‐Ray Detectors
Authors: Chen Huiwen , Zhu Ziyao , Zhao Bo , Huang Weixiong , Qu Geping , Xu Zong‐Xiang , Yu Xue‐Feng , Xiao Quanlan , Yang Shihe , Li Yunlong 
Published: May 2024

AbstractQuasi‐2D perovskite quantum wells are increasingly recognized as promising candidates for direct‐conversion X‐ray detection. However, the fabrication of oriented and uniformly thick quasi‐2D perovskite films, crucial for effective high‐energy X‐ray detection, is hindered by the inherent challenges of preferential crystallization at the gas‐liquid interface, resulting in poor film quality. In addressing this limitation, a carbonyl array‐synergized crystallization (CSC) strategy is employed for the fabrication of thick films of a quasi‐2D Ruddlesden‐Popper (RP) phase perovskite, specifically PEA2MA4Pb5I16. The CSC strategy involves incorporating two forms of carbonyls in the perovskite precursor, generating large and dense intermediates. This design reduces the nucleation rate at the gas‐liquid interface, enhances the binding energies of Pb2+ at (202) and (111) planes, and passivates ion vacancy defects. Consequently, the construction of high‐quality thick films of PEA2MA4Pb5I16 RP perovskite quantum wells is achieved and characterized by vertical orientation and a pure well‐width distribution. The corresponding PEA2MA4Pb5I16 RP perovskite X‐ray detectors exhibit multi‐dimensional advantages in performance compared to previous approaches and commercially available a‐Se detectors. This CSC strategy promotes 2D perovskites as a candidate for next‐generation large‐area flat‐panel X‐ray detection systems.
Exploring the Link Between Autophagy‐Lysosomal Dysfunction and Early Heterotopic Ossification in Tendons
Authors: Gao Chang‐He , Wan Qian‐Qian , Yan Jan‐Fei , Zhu Yi‐Na , Tian Lei , Wei Jian‐Hua , Feng Bin , Niu Li‐Na , Jiao Kai 
Published: May 2024

AbstractHeterotopic ossification (HO), the pathological formation of bone within soft tissues such as tendon and muscle, is a notable complication resulting from severe injury. While soft tissue injury is necessary for HO development, the specific molecular pathology responsible for trauma‐induced HO remains a mystery. The previous study detected abnormal autophagy function in the early stages of tendon HO. Nevertheless, it remains to be determined whether autophagy governs the process of HO generation. Here, trauma‐induced tendon HO model is used to investigate the relationship between autophagy and tendon calcification. In the early stages of tenotomy, it is observed that autophagic flux is significantly impaired and that blocking autophagic flux promoted the development of more rampant calcification. Moreover, Gt(ROSA)26sor transgenic mouse model experiments disclosed lysosomal acid dysfunction as chief reason behind impaired autophagic flux. Stimulating V‐ATPase activity reinstated both lysosomal acid functioning and autophagic flux, thereby reversing tendon HO. This present study demonstrates that autophagy‐lysosomal dysfunction triggers HO in the stages of tendon injury, with potential therapeutic targeting implications for HO.
Carbon supply elasticity and determinants of farmer carbon farming decisions
Authors: Wang Tong , Jin Hailong , Clay David , Sieverding Heidi L. , Cheye Stephen 
Published: May 2024

AbstractThis paper analyzed farmers' willingness to accept (WTA) payment and uncertainties toward carbon market through a 2021 U.S. Midwest farmer survey. The findings showed that farmer carbon supply was elastic at intermediate prices ($20–50/Mg), but inelastic at low ($10–20/Mg) and high ($50–70/Mg) price levels. While perceived co‐benefits play significant roles in promoting participation at low‐price levels, variables such as age, education, farm size, and soil quality are more likely to influence producers' choices at intermediate‐ and high‐price levels. To enhance farmers' support for carbon programs, measures should be taken to improve benefit, while reducing cost and uncertainty.
Attracting and securing budgets for agricultural and applied economics departments
Authors: Holt Matthew T. , Homans Frances R. , Lusk Jayson , Nayga Rodolfo M. 
Published: May 2024

AbstractThe aim of this paper is to discuss the challenges in attracting and securing adequate budgets for departments of agricultural and applied economics, while recognizing that the institutional and political contexts matter. Agricultural and applied economics departments that operate with an entrepreneurial mindset, that maintain and grow their student numbers, and that have a vibrant demand for their extension and research activities will thrive. The good news is we often have considerable control over the factors that contribute to our longer‐term success.
Multi‐state photoluminescent properties of an overcrowded alkene‐based molecular motor in aggregates
Authors: Shan Yahan , Sheng Jinyu , Zhang Qi , Stuart Marc C. A. , Qu Da‐Hui , Feringa Ben L. 
Published: May 2024

AbstractPhotoisomerization and photoluminescence are two distinct energy dissipation pathways in light‐driven molecular motors. The photoisomerization properties of discrete molecular motors have been well established in solution, but their photoluminescent properties have been rarely reported—especially in aggregates. Here, it is shown that an overcrowded alkene‐based molecular motor exhibits distinct dynamic properties in solution and aggregate states, for example, gel and solid states. Despite the poor emissive properties of molecular motors in solution, a bright emission is observed in the aggregate states, including in gel and the crystalline solid. The emission wavelength is highly dependent on the nature of the supramolecular packing and order in the aggregates. As a result, the fluorescent color can be readily tuned reversibly via mechanical grinding and vapor fuming, which provides a new platform for developing multi‐stimuli functional materials.
Globally optimal simultaneous heat exchanger network synthesis and basic heat exchanger design
Authors: Oliva Diego G. , Nahes Andre L. M. , Lemos Julia C. , Costa André L. H. , Bagajewicz Miguel J. 
Published: May 2024

AbstractIn this article, we extend a previously developed globally optimal enumeration methodology for the synthesis of heat exchanger networks (HENs) to include the basic design of heat exchangers (HEXs). The method addresses together all trade‐offs between network structure, energy usage, and the basic design of the HEXs. Without loss of generality, we focus on shell‐and‐tube HEXs. Unlike previous approaches, such as Pinch Analysis, Metaheuristic methods, or Mathematical Programming, our procedure guarantees global optimality. The procedure is not iterative and does not present any convergence challenges. We enumerate HEN structures using a mixed‐integer linear programming method and we use Set Trimming followed by sorting for the HEX design. In addition, because some network structures are incompatible with single shell exchangers, we use multiple shell exchangers in series. The comparison of the results of the proposed approach with solutions obtained using two alternative methods extracted from the literature indicates that considerable cost reductions may be obtained.
Optimizing kinetic evaluation through CFD‐based analysis of heat and mass transfer in a high‐pressure TGA
Authors: An Fengbo , Küster Felix , Guhl Stefan , Gräbner Martin , Richter Andreas 
Published: May 2024

AbstractAccurate measurement of heterogeneous reaction kinetics in thermogravimetric analysis (TGA) requires accurate estimation of concentration and temperature in the sample. However, this information is difficult to estimate during the measurement, especially at high temperatures and pressures. Computational Fluid Dynamics (CFD) is used to perform a comprehensive analysis of the temperature and species distribution throughout a high‐temperature, high‐pressure test rig, including temperature and species transport within the probe sample. The temperature and gas concentration within the sample are accurately calculated by CFD, providing a much deeper insight into the local temperature and species distribution. The numerical results show a significant decrease in gas concentration and temperature in the core region of the packed bed, indicating that bed diffusion dominates the overall conversion for the char reaction studied in this article. The re‐evaluation based on the model considers the limitations of heat and mass transfer at each measurement point. This forms the basis for a novel, model‐driven approach that derives heterogeneous kinetics from TGA measurements with significantly improved accuracy and reliability.
Unveiling the integrated function of metallo‐/ionic‐covalent organic polymers for boosting atmospheric CO2 conversion
Authors: Zhang Han , Zhang Wenwen , Liu Fusheng , Luo Zheng‐Hong , Gao Kunqi , Liu Mengshuai 
Published: May 2024

AbstractMultifunctional metallo‐/ionic‐covalent organic polymers (TCTB@Zn‐iCOPs) were constructed through one‐pot multicomponent reaction in a deep eutectic solvent at room temperature. The structures of various TCTB@Zn‐iCOPs were characterized, demonstrating their successful integration of multiple sites and excellent structural stability. Then TCTB@Zn‐iCOPs were employed to transform atmospheric CO2 into cyclic carbonates. The results showed that satisfactory product yields were obtained under mild and additive‐free conditions, with a high TOF value of 101 h−1; furthermore, the optimized TCTB@Zn‐iCOP2 exhibited excellent versatility in catalyzing the cycloaddition reactions between various substituted epoxides and CO2, and its activity did not significantly decrease after being reused for five times. Compared with previously reported nonmetallic iCOPs, the TCTB@Zn‐iCOP2 shows significantly improved activity and stability. Finally, DFT calculations were conducted along with a comparison of energy barriers for possible reaction paths, gaining an in‐depth understanding of the synergistic catalytic mechanism involving multiple sites.
Size Control of Chiral Nanospheres Obtained via Nanoprecipitation of Helical Poly(phenylacetylene)s in the Absence of Surfactants
Authors: Núñez‐Martínez Manuel , Fernández‐Míguez Manuel , Quiñoá Emilio , Freire Félix 
Published: May 2024

AbstractNanostructuration of dynamic helical polymers such as poly(phenylacetylene)s (PPAs) depends on the secondary structure adopted by the polymer and the functional group used to connect the chiral pendant to the PPA backbone. Thus, while PPAs with dynamic and flexible scaffolds (para‐ and meta‐substituted, ω1<165°) generate by nanoprecipitation low polydisperse nanospheres with controllable size at different acetone/water mixtures, those with a quasi‐static behavior and the presence of an extended, almost planar structure (ortho‐substituted, ω1>165°), aggregate into a mixture of spherical and oval nanostructures whose size is not controlled. Photostability studies show that poly(phenylacetylene) particles are more stable to light irradiation than when dissolved macromolecularly. Moreover, the photostability of the particle depends on the secondary structure of the PPA and its screw sense excess. This fact, in combination with the encapsulation ability of these polymer particles, allows the creation of light stimuli‐responsive nanocarriers, whose cargo can be delivered by light irradiation.
Hydrazone‐Linked Covalent Organic Frameworks
Authors: Zhuang Huifen , Guo Can , Huang Jianlin , Wang Liwen , Zheng Zixi , Wang Hai‐Ning , Chen Yifa , Lan Ya‐Qian 
Published: May 2024

AbstractHydrazone‐linked covalent organic frameworks (COFs) with structural flexibility, heteroatomic sites, post‐modification ability and high hydrolytic stability have attracted great attention from scientific community. Hydrazone‐linked COFs, as a subclass of Schiff‐base COFs, was firstly reported in 2011 by Yaghi's group and later witnessed prosperous development in various aspects. Their adjustable structures, precise pore channels and plentiful heteroatomic sites of hydrazone‐linked structures possess much potential in diverse applications, for example, adsorption/separation, chemical sensing, catalysis and energy storage, etc. Up to date, the systematic reviews about the reported hydrazone‐linked COFs are still rare. Therefore, in this review, we will summarize their preparation methods, characteristics and related applications, and discuss the opportunity or challenge of hydrazone‐linked COFs. We hope this review could provide new insights about hydrazone‐linked COFs for exploring more appealing functions or applications.
Kopplung von CO2‐Reduktion und Acetyl‐CoA‐Bildung: Die Rolle eines CO‐fangenden Tunnels in der enzymatischen Katalyse
Authors: Ruickoldt Jakob , Jeoung Jae‐Hun , Rudolph Maik Alexander , Lennartz Frank , Kreibich Julian , Schomäcker Reinhard , Dobbek Holger 
Published: May 2024

AbstractDer bifunktionelle CO‐Dehydrogenase/Acetyl‐CoA‐Synthase (CODH/ACS)‐Komplex koppelt die Reduktion von CO2 mit der Kondensation von CO, einer Methylgruppe und CoA zu Acetyl‐CoA. Die Katalyse erfolgt an zwei Stellen, die durch einen Tunnel verbunden sind, durch den das CO transportiert wird. Hier haben wir untersucht, wie der bifunktionelle Komplex und sein Tunnel die Katalyse unterstützen, indem wir die CODH/ACS aus Carboxydothermus hydrogenoformans als Modell verwendeten. Obwohl die CODH/ACS so evolviert ist, dass ein stabiler bifunktioneller Komplexes mit einem abgeschlossenen Substrattunnel gebildet wurde, sind Katalyse und CO‐Transport noch effizienter, wenn zwei monofunktionelle Enzyme gekoppelt werden. Ein effizienter CO‐Transport scheint durch hydrophobe Bindungsstellen für CO gewährleistet zu werden, die eher einer Eimerkette als einem einfachen Röhre ähneln. Der Umbau des Tunnels zeigte, dass die Öffnung des Tunnels die Aktivität erhöhte, aber den gerichteten CO‐Transport beeinträchtigte. Eine Verengung des Tunnels beeinträchtigte die Aktivität und den CO‐Transport, was darauf hindeutet, dass sich der Tunnel eher zur CO‐Bindung als zur Maximierung des Umsatzes entwickelt hat.