bluuebunny/crossref_metadata_2025_split huggingface dataset:
Li+ Quasi‐Grotthuss Topochemistry Transport Enables Direct Regeneration of Spent Lithium‐Ion Battery Cathodes
Authors: He Yujia , Jia Kai , Piao Zhihong , Cao Zhenjiang , Zhang Mengtian , Li Pengfei , Li Zhichao , Jiang Zhiyuan , Yang Guorui , Xi Huan , Zhou Guangmin , Tang Wei , Qu Zhiguo , Kumar R. Vasant , Ding Shujiang , Xi Kai 
Published: January 2025

AbstractDirect regeneration of spent lithium‐ion batteries offers economic benefits and a reduced CO2 footprint. Surface prelithiation, particularly through the molten salt method, is critical in enhancing spent cathode repair during high‐temperature annealing. However, the sluggish Li+ transport kinetics, which predominantly relies on thermally driven processes in the traditional molten salt methods, limit the prelithiation efficiency and regeneration of spent cathodes. Here, we introduce a special molecular configuration (benzoate) into molten salts that facilitates rapid Li+ transport to the surface of LiNi0.5Co0.2Mn0.3O2 (NCM) via a quasi‐Grotthuss topochemistry mechanism. This approach effectively avoids the phase transitions that could adversely degrade the electrochemical performance due to insufficient lithiation during the repair process. Computational and experimental analyses reveal that the system enables fast Li+ migration through the topological hopping of benzoate in organic lithium salt, rather than relying solely on thermally driven diffusion, thereby significantly improving the prelithiation and repair efficiency of spent NCM cathodes. Benefiting from the quasi‐Grotthuss Li+ topochemistry transport, the degraded structure and Li vacancies in the spent cathode are effectively eliminated, yieding the regenerated cathode with good cycling stability comparable to commercial counterparts. The proposed Li+ transport mechanism presents a promising route for the efficient and sustainable regeneration of spent cathodes.
Photo‐Driven Ammonia Synthesis via a Proton‐Mediated Photoelectrochemical Device
Authors: Lin Wan , Chen Jiajie , Zhang Xiang , Lin Jing , Lin Fuwen , Huang ShenXia , Wang Yaobing 
Published: January 2025

AbstractN2 reduction reaction (NRR) by light is an energy‐saving and sustainable ammonia (NH3) synthesis technology. However, it faces significant challenges, including high energy barriers of N2 activation and unclear catalytic active sites. Herein, we propose a strategy of photo‐driven ammonia synthesis via a proton‐mediated photoelectrochemical device. We used redox‐catalysis covalent organic framework (COF), with a redox site (−C=O) for H+ reversible storage and a catalytic site (porphyrin Au) for NRR. In the proton‐mediated photoelectrochemical device, the COF can successfully store e− and H+ generated by hydrogen oxidation reaction, forming COF−H. Then, these stored e− and H+ can be used for photo‐driven NRR (108.97 umol g−1) under low proton concentration promoted by the H‐bond network formed between −OH in COF−H and N2 on Au, which enabled N2 hydrogenation and NH3 production, establishing basis for advancing artificial photosynthesis and enhancing ammonia synthesis technology.
Vacancy‐Activated B‐Doping for Efficient 2e− Oxygen Reduction through Suppressing H2O2 Decomposition at High Overpotential
Authors: Cui Wangyang , Zhen Zhiyuan , Sun Yuanyuan , Liu Xiaofeng , Chen Jinhui , Liu Sijia , Ren Hao , Lin Yan , Wu Mingbo , Li Zhongtao 
Published: January 2025

AbstractThe production of hydrogen peroxide (H2O2) through two‐electron oxygen reduction reaction (2e− ORR) has emerged as a more environmentally friendly alternative to the traditional anthraquinone method. Although oxidized carbon catalysts have intensive developed due to their high selectivity and activity, the yield and conversion rate of H2O2 under high overpotential still limited. The produced H2O2 was rapidly consumed by the increased intensity of H2O2 reduction, which could ascribe to decomposition of peroxide radicals under high voltage in the carbon catalyst. To overcome this issue, a B doped carbon have been developed to catalyze 2e− ORR with high efficient through suppressing H2O2 decomposition at high potential. Thus, thermal reducing of oxygen containing groups (OCGs) on graphite could construct defects and vacancies, which in situ convert to B−Cx subunits on the edge of graphene sheets. The introduction of B−Cx effectively prevented the decomposition of the *O−O bond and provided suitable adsorption capacity for *OOH, achieving excellent selectivity for the 2e− ORR across a wide voltage range. Finally, a remarkable H2O2 yield of 7.91 mmol cm−2 h−1 was delivered at an industrial current density of 600 mA cm−2, which could provide “green” pathway for scale‐upable synthesis H2O2.
High‐Rate Lithium‐Ion Capacitor Diode Towards Multifrequency Ion/Electron‐Coupling Logic Operations
Authors: Ma Hongyun , Sun Kai , Cai Yunong , Li Fengfeng , Ma Lingxiao , Qi Yifeng , Sheng Hongwei , Wu Liang , Wang Kai , Wang Jun , Fu Yujun , Chai Yang , Lan Wei 
Published: January 2025

AbstractIon/electron‐coupling logic operation is recognized as the most promising approach to achieving in‐depth brain‐inspired computing, but the lack of high‐performance ion/electron‐coupling devices with high operating frequencies much restricts the fast development of this field. Accordingly, we herein report an orthorhombic niobium pentoxide (T‐Nb2O5) based lithium‐ion capacitor diode (CAPode) that possesses thoroughly improved performances to achieve multifrequency ion/electron‐coupling logic operations. Specifically, benefiting from the unique crystal structure and fast ion‐transport topology of T‐Nb2O5, the constructed CAPode exhibits a high response frequency of up to 122 Hz, over three orders of magnitude higher than those of the state‐of‐the‐art CAPodes. Meanwhile, the T‐Nb2O5 based CAPode delivers a record‐high rectification ratio of 108, a high specific capacity of 390 C g−1, a wide voltage window of −1.5–1.5 V, and a superior cycling stability over 2000 cycles. Combining these performance advantages, the T‐Nb2O5 based CAPode is demonstrated to be fully competent in typical AND and OR logic gates over a wide frequency range of 1–100 Hz, validating great potential in the burgeoning field of multifrequency ion/electron‐coupling logic operations.
Tyrosinase‐Catalyzed Peptide Stapling Using Para‐Amino Phenylalanine and Tyrosine Anchoring Residues
Authors: Wang Nan , Xu Zhengyang , Shen Huaxing , Cong Wei , Zhang Shuai , Hu Honggang , Li Xiang 
Published: January 2025

AbstractPeptide stapling techniques have historically relied on metal‐catalyzed chemical reactions, with no examples using enzymes. Here, inspired by tyrosinase‐mediated oxidation, we describe the efficient side‐chain to side‐chain coupling of p‐amino phenylalanine (Z) and tyrosine (Y) amino acids using a commercially available tyrosinase. Stapling reactions between the i, i+3 to i, i+7 positions were all performed, proceeding in good conversion and under mild conditions compatible with various side chains, functional motifs and ring sizes, with the Z−Y product found to be more stable and obtained in a higher yield than the Y−Z product. Z−Y stapled versions of ER, MC4 and GPR54 binding peptides exhibited higher serum stability, helical content and binding affinity than their linear counterparts, proving the utility of our method to synthesize biologically significant peptides. The tyrosinase‐catalyzed Z−Y peptide stapling technique expands the scope of available stapling techniques, and is proposed to develop stapled peptide drug candidates.
Highly Durable Rh Single Atom Catalyst Modulated by Surface Defects on Fe‐Ce Oxide Solid Solution
Authors: Kim Gunjoo , Choung Seokhyun , Hwang Jae‐eon , Choi Yunji , Kim Seungeun , Shin Dongjae , Han Jeong Woo , Lee Hyunjoo 
Published: January 2025

AbstractForming defect sites on catalyst supports and immobilizing precious metal atoms at these sites offers an efficient approach for preparing single‐atom catalysts. In this study, we employed an Fe−Ce oxide solid solution (FC), which has surface oxygen that reduces more readily than that of ceria, to anchor Rh single atoms (Rh1). When utilized in the selective catalytic reduction of NO with CO (CO‐SCR), Rh1/FC reduced at 500 °C—characterized by less oxidic Rh state induced by an oxygen‐deficient coordination—exhibited superior activity and durability compared to Rh1/ceria and Rh1/FC reduced at 300 °C. This Rh single‐atom structure was sustained after 100 hours of CO‐SCR at 400 °C. Reaction intermediates formed on the catalyst surface were analyzed using in situ diffuse reflectance Fourier transform infrared spectroscopy (DRIFTS) under NO and CO flow conditions. Additionally, the catalyst structure and the CO‐SCR reaction mechanism were investigated using density functional theory (DFT). While Rh atoms located near surface Fe sites were found to be thermodynamically most stable, both NO and CO preferentially adsorbed on Rh sites. Fe plays a role in stabilizing Rh sites and facilitating oxygen transfer. This work provides valuable insights into the design of highly active and durable single‐atom catalysts.
Heteroarchitectural Gas Diffusion Layer Promotes CO2 Reduction Coupled with Biomass Oxidation at Ampere‐Level Current Density
Authors: Lu Chenbao , Shi Pengfei , Huang Senhe , Yang Chongqing , Zhu Jinhui , Zhang Jichao , Ke Changchun , Su Yuezeng , Zhuang Xiaodong , Wang Tianfu 
Published: January 2025

AbstractAchieving high product selectivity at ampere‐level current densities is essential for the industrial application of electrochemical CO2 reduction. However, the operational stability of CO2 electrolyzers at large current density has long been hindered by flooding of gas diffusion layer (GDL). Herein, a new heteroarchitectural GDL is designed to overcome flooding. Such GDL is constructed by sequentially sputtering the conductive silver and titanium boride (TiB2) onto a polytetrafluoroethylene substrate. Assembled with Cu catalyst in a flow cell, a maximum ethylene Faradaic efficiency of 64.7 % was achieved at a current density of 1.2 A cm−2 in 6 M KOH. Furthermore, the GDL is capable of stable operation for over 40 hours at 400 mA cm−2. Theoretical calculations and in situ experiments demonstrate enhanced intermediates adsorption on the TiB2‐supported Cu surface, thereby reducing the energy barrier for C−C coupling. When coupling the CO2 reduction reaction with 5‐hydroxymethylfurfural oxidation reaction, Faradaic efficiencies of 49.2 % for ethylene and 85.4 % for 2,5‐furandicarboxylic acid were achieved at 1.2 A cm−2. This work provides a highly stable GDL for efficient CO2 conversion at ampere‐level current density and paves the way for integrating biomolecules conversion in stack‐level devices.
Symmetry Breaking of FeN4 Moiety via Edge Defects for Acidic Oxygen Reduction Reaction
Authors: Tang Bing , Ji Qianqian , Zhang Xilin , Shi Runchuan , Ma Jin , Zhuang Zechao , Sun Mei , Wang Huijuan , Liu Ruiqi , Liu Hengjie , Wang Chao , Guo Zhiying , Lu Lanlu , Jiang Peng , Wang Dingsheng , Yan Wensheng 
Published: January 2025

AbstractFe−N−C catalysts, with a planar D4h symmetric FeN4 structure, show promising as noble metal‐free oxygen reduction reaction catalysts. Nonetheless, the highly symmetric structure restricts the effective manipulation of its geometric and electronic structures, impeding further enhancements in oxygen reduction reaction performance. Here, a high proportion of asymmetric edge‐carbon was successfully introduced into Fe−N−C catalysts through morphology engineering, enabling the precise modulation of the FeN4 active site. Electrochemical experimental results demonstrate that FeN4@porous carbon (FeN4@PC), featuring enriched asymmetric edge‐FeN4 active sites, exhibits higher acidic oxygen reduction reaction catalytic activity compared to FeN4@flaky carbon (FeN4@FC), where symmetric FeN4 is primarily distributed within the basal‐plane. Synchrotron X‐ray absorption spectra, X‐ray emission spectra, and theoretical calculations indicate that the enhanced oxygen reduction reaction catalytic activity of FeN4@PC is attributed to the higher oxidation state of Fe species in the edge structure of FeN4@PC. This finding paves the way for controlling the local geometric and electronic structures of single‐atom active sites, leading to the development of novel and efficient Fe−N−C catalysts.
Nickel Nanocluster‐Stabilized Unsaturated Ni–N3 Atomic Sites for Efficient CO2‐to‐CO Electrolysis at Industrial‐Level Current
Authors: Zhang Wuyi , Mehmood Asad , Ali Ghulam , Liu Hui , Chai Liyuan , Wu Jun , Liu Min 
Published: January 2025

AbstractUnsaturated Ni single‐atom catalysts (SACs), Ni‐Nx (x=1,2,3), have been investigated to break the conventional Ni‐N4 structural limitation and provide more unoccupied 3d orbitals for CO2 reduction reaction (CO2RR) intermediates adsorption, but their intrinsically low structural stability has seriously hindered their applications. Here, we developed a strategy by integrating Ni nanoclusters to stabilize unsaturated Ni‐N3 atomic sites for efficient CO2 electroreduction to CO at industrial‐level current. Density Functional Theory (DFT) calculations revealed that the incorporation of Ni nanocluster effectively stabilizes the unsaturated Ni‐N3 atomic sites and modulates their electronic structure to enhance the adsorption of the key intermediate *COOH during CO2RR. Guided by these insights, we prepared an optimal composite catalyst, Ni6@Ni‐N3, which features a Ni6N6 nanocluster surrounded by six Ni‐N3 single atoms sites, through low‐temperature pyrolysis. The morphology and coordinative structure of Ni6@Ni‐N3 were confirmed by an aberration‐corrected transmission electron microscope (AC‐TEM) and X‐ray absorption spectroscopy (XAS). As a result, Ni6@Ni‐N3 demonstrated a remarkably high CO Faradaic efficiency (FECO) of 99.7 % and a turnover frequency (TOF) of 83984.2 h−1 at 500 mA cm−2 under −1.15 VRHE, much better than those of Ni‐N4 with a lower FECO of 86 % at 100 mA cm−2 and a TOF of 39309.9 h−1under identical potential. XAS analyses of Ni6@Ni‐N3 before and after long‐term CO2RR testing confirmed the excellent stability of its coordinative environment. This work highlights a generalizable approach for stabilizing unsaturated single‐atom catalysts, paving the way for their application in high‐performance CO2RR.
Stimulus‐Responsive Organometallic Assemblies Based on Azobenzene‐Functionalized Poly‐NHC Ligands
Authors: Li Hao , Zhang Le , Li Xin , Wang Yi‐Shou , Han Ying‐Feng 
Published: January 2025

AbstractThe reversible photoisomerization of azobenzene (AZB) and its derivatives has been applied across various fields. Developing discrete AZB‐functionalized organometallic cages is essential for manufacturing functional materials. In this work, we designed and fabricated a series of three‐dimensional, hexaazobenzene‐terminated poly‐NHC‐based (NHC=N‐heterocyclic carbene) complexes [M3(A)2](BF4)3 and [M3(B)2](BF4)3 (M = Ag, Au). In the newly prepared MI‐CNHC assemblies, these peripheral AZB units linked to the central backbones can undergo efficient and recyclable isomerization upon external stimulation, effectively creating a switchable organometallic assembly system. Compared to the NHC precursor, the metalized framework demonstrates higher isomerization efficiency, thereby establishing a foundation for the subsequent application of AZB‐functionalized MI‐CNHC assemblies.
Blaming the Strawless Brickmaker: Constraint Neglect in Judging Decision Quality
Authors: Li Xilin , Hsee Christopher K. 
Published: January 2025

ABSTRACTPeople often judge the quality of selection decisions made by others: The CEO of a firm may judge the quality of hiring decisions made by the firm's HR personnel; the readers of a journal may judge the quality of manuscript‐acceptance decisions by the journal's editor. To accurately judge others' selection decision quality, evaluators should consider not only the outcome of the selection decisions but also the constraints of the decision‐maker. For example, to judge the quality of the hiring decisions made by the HR personnel, the CEO should consider not only how many high‐quality (vs. low‐quality) candidates the HR personnel hired, but also how many high‐quality (vs. low‐quality) candidates applied, and how many candidates the HR personnel needed to hire. We theorize that evaluators tend to overlook these constraints, and, consequently, judge decision‐makers who faced greater constraints as having made worse decisions than decisions‐makers who faced lesser constraints, even if the former's decisions were actually as good as or better than the latter's. We refer to this phenomenon as Blaming the Strawless Brickmaker (from the saying “making bricks without straw”). Eight studies, employing mixed methods, demonstrate the Blaming‐the‐Strawless‐Brickmaker effect, examine its underlying mechanism, and suggest ways to improve the quality of judged selection decision quality.
Static Magnetic Field Exposure Causes Small Cell Cycle Disruptions and Changes in Reactive Oxygen Species Levels in Ionizing Radiation Exposed Human Neuroblastoma Cells
Authors: Nieminen Valtteri , Seppälä Jan , Virén Tuomas , Juutilainen Jukka , Naarala Jonne , Luukkonen Jukka 
Published: January 2025

ABSTRACTAlthough static magnetic fields (SMFs) have been reported to induce only minimal biological effects, it has been proposed that they may alter the effects of other agents, such as ionizing radiation. We sham‐exposed or exposed human SH‐SY5Y neuroblastoma cells to 0.5‐, 1.5‐, 2.5‐, or 3.5‐mT SMFs for 24 h either before or after irradiation at 0, 0.4 or 2.0 Gy. After the exposures, cell cycle distribution (subG1 for apoptosis), reactive oxygen species (ROS) levels, caspase‐3 activity, and clonogenic survival were assayed. Increase of G0/G1 and decrease of S phase cells was observed in samples exposed to a 3.5‐mT SMF after irradiation. The same exposure schedule with a 1.5‐mT SMF was associated with an increase of S phase cells, and an increase in ROS levels. Conversely, a decrease in ROS levels was observed in cells exposed to a 2.5‐mT SMF before ionizing radiation. No cell cycle changes were observed with SMF exposures before irradiation. Caspase‐3 activity or clonogenic survival was not affected by SMF exposures, irrespective of the exposure schedule. In conclusion, small changes in cell cycle distribution and ROS levels were observed in SH‐SY5Y cells exposed to SMFs, with more prominent effects observed when SMF exposure was applied after irradiation. Our results suggest that SMF‐induced effects show no linear dependency on magnetic flux density below 5 mT. Notably, SMF exposures did not significantly potentiate the effects of ionizing radiation but rather caused an independent additive effect. Bioelectromagnetics. 00:00–00, 2024.
Highly Flexible Methyl Cellulose/Gelatin Hydrogels for Potential Cartilage Tissue Engineering Applications
Authors: Karaca Mehmet Ali , Khalili Vida , Ege Duygu 
Published: January 2025

ABSTRACTCartilage damage resulting from trauma demonstrates a poor capacity for repair due to its avascular nature. Cartilage tissue engineering offers a unique therapeutic option for cartilage recovery. In this study, methylcellulose (MC)/gelatin (GEL) hydrogels (MC10G20, MC12.5G20, MC15G20, and MC17.5G20) were developed to assess and compare their chemical, mechanical, and biological characteristics for cartilage repair. First, the interaction between MC and GEL after blending and subsequent crosslinking with EDC/NHS was confirmed by using FTIR. Mechanical tests under compression test revealed that hydrogels' resistance to both elastic and plastic deformation increased with higher wt.% of MC. The % strain of the hydrogels doubled with the addition of MC, likely due to abundant hydrogen bonding between polymeric chains. Furthermore, the compressive modulus of MC/GEL hydrogels was approximately 0.2 MPa, closely matching modulus of human cartilage tissue. Similarly, the % water retention capacity of the hydrogels increased over the 7 days as the MC content increased. Additionally, SEM images showed that the incorporation of MC to GEL introduced porosity with the diameters ranging from 10 to 50 μm, similar to the size of pores in native cartilage. In vitro cell culture studies confirmed the biocompatibility of MC/GEL hydrogels. Fluorescence staining showed a 2.5‐fold increase in F‐actin staining following the incorporation of MC into the hydrogels. Overall, this study highlights the potential of MC/GEL hydrogels for cartilage tissue engineering, however, further research is required to assess its full potential.
Remodeling pedagogical evaluation tools to incorporate student self‐efficacy and sense of belonging in scientific research
Authors: Tanner Richelle L. , Burnett Nicholas P. , King Emily E. , Todgham Anne E. 
Published: January 2025

AbstractCurated undergraduate research experiences have been widely used at colleges and universities for decades to build student interest, technical preparation, and confidence in the pursuit of scientific careers. Educators often employ standardized survey instruments to evaluate learning outcomes for research experiences, but many of these assessments consider only technical skill development and career interests and are not rooted in discrete pedagogical theories. As higher education aims to create inclusive and equitable learning experiences for students, we argue that pedagogical assessment tools for undergraduate research experiences need to expand to consider outcomes such as increased science literacy, confidence in relational “soft” skills, and a sense of belonging to a community that values scientific inquiry. We report on and critique a survey instrument that uses validated metrics to evaluate student sense of belonging and the relational skills developed during an undergraduate research experience. We also provide a revised survey instrument that is founded in social and emotional learning principles and expectation disconfirmation theory. We describe best practices for remodeling the undergraduate research environment to prioritize these inclusive learning objectives alongside publishable research output that is sought by research advisors. Survey tools, like the one described here, are critical for helping colleges and universities train students in science while evolving to promote inclusivity, self‐efficacy, and sense of belonging. Higher education programs will continue to produce scientists, but a focus on confidence‐building and soft‐skill development is essential for creating a general population that is scientifically literate and supportive and trusting of the scientific process.
New Pyranopyrazole‐Based Indolin‐2,3‐Dione Hybrid as Effective Inhibitors of Xanthine Oxidase: Synthesis, In Vitro, and Molecular Modeling Approaches
Authors: Alharbi Osama , Al‐Mutairi Khalid Awadh , Ibrahim Munjed M. , Ramu Ramith , Al‐Ghorbani Mohammed 
Published: January 2025

ABSTRACTIn the current study, new pyranopyrazole analogs (9a–d and 10a–d) were synthesized through a one‐pot condensation reaction of 2‐arylacetohydrazide. The inhibitory abilities were investigated against the xanthine oxidase (XO) enzyme through experimental and molecular docking analyses. The synthesis studies were based on ultrasound‐mediated condensation reactions of four‐component containing 2‐arylacetohydrazide, ethyl acetoacetate, indoline‐2,3‐dione, and ethyl 2‐cyanoacetate/malononitrile in various solvents and catalysts to yield pyranopyrazole analogs (9a–d and 10a–d) in a short reaction time and remarkably favorable yields ranging from 79% to 92%. On the basis of the XO inhibition study of compounds 9a–d and 10a–d, compound 10d was the most potent (IC50 = 0.09 ± 0.22 µM), followed by 9c (0.12 ± 0.11 µM). With IC50 values of 0.20 ± 0.27 and 0.17 ± 0.11 µM respectively, compounds 10a and 10c exhibited moderate activity. The other compounds have shown less activity compared to the allopurinol control (IC50 = 0.14 ± 0.10 µM). Furthermore, in the molecular docking analysis, compound 10d was predicted to have the highest binding affinity against the target XO enzyme.