bluuebunny/crossref_metadata_2025_split huggingface dataset:
Passivated Zn Powders as Metal Anode
Authors: Sun Yiming , Jin Yanting , Huang Jiaxing 
Published: January 2025

AbstractImpacted by heavy corrosion and poor connections, zinc (Zn) powders have rarely been considered as the raw materials of Zn‐ion aqueous batteries (ZABs). Nonetheless, the ease of controlling loadings of Zn powders entitles ZABs to better capacity match between negative and positive electrodes. Here, a simple and rapid chemical solution passivation method is reported, which leads to a thin, dense, and conformal passivation layer on Zn powder surface. The passivation layer suppresses parasitic reactions of Zn powder anode, mitigates corrosions, and extends the calendar life. Mixing with well‐dispersed carbon nanotubes, the passivated Zn powder anode is able to cycle 100 h under 3 mA cm−2 and 3 mAh cm−2 at depth of discharge of 41.3%. Besides, the anode with negative/positive electrode capacity ratio of 5.95 improves the energy density of the Zn powder||MnO2 full cell to 70 Wh Kg−1. Such a simple “one‐step” passivation method is believed to be a “drop‐in” technique applied in the scalable manufacture of ZABs.
Permanent Plasma Surface Functionalization of Internal Surface Areas
Authors: Hegemann Dirk , Janůšová Martina , Navascués Paula , Zajíčková Lenka , Guex Anne Géraldine 
Published: January 2025

AbstractSurface functionalization technologies of fibrous or porous materials are often considered relatively unstable with a shelf life of several weeks or months at most, evoked by heterogeneous treatment of their internal surface areas. Here, it is demonstrating that the fine balance of plasma etching, deposition, and oxidation involving different reactive species, strongly enhances penetration depth within complex structures. On this basis, capillary wicking is maintained over >10 years after plasma functionalization of a scaffold material used for biomedical engineering. Electrospun membranes of poly(ε‐caprolactone) are coated with an oxygen‐functional hydrocarbon layer, deposited in a competitive ablation and plasma polymerization process with CO2 and C2H4 as reactive gases. Chemical analysis immediately after coating, 9 months later, and after storing at ambient conditions for over 10 years, indicate a stable surface coating. Using defined geometries such as a cavity and an undercut, the underlying plasma interaction mechanisms are revealed, showing different synergies of energetic particles, depositing species with different surface reactivities, and oxidizing species. A concerted action of such species during plasma functionalization is key to enabling long‐term wetting properties. This has a major implication for the surface functionalization of scaffolds, textiles, membranes, or foams used in diverse fields.
Ultrafast Diamond Photodiodes for Vacuum Ultraviolet Imaging in Space‐Based Applications
Authors: Jia Lemin , Zhu Siqi , Zhang Naiji , Lin Zhuogeng , Cai Wei , Cheng Lu , Lu Xiaoqiang , Zheng Wei 
Published: January 2025

AbstractMonitoring the vacuum ultraviolet (VUV) radiation from the Sun by spaceborne photodetectors is an indispensable and crucial approach in solar physics research and atmospheric photochemistry investigations. Diamond‐based photodetectors are emerging as ideal candidates to replace traditional silicon‐based detectors for high‐selectivity and radiation hardness. Here, a vertical Schottky photodiode based on p‐type high‐quality single‐crystal diamond is presented. By modulating the diamond surface band structure and band alignment, an ultra‐short response time of only 15 ns, and a photo‐to‐dark current ratio greater than 105 under the reverse bias are achieved. It is the first time to study the spectral response of the diamond photodiode in the range of 260 nm to as low as 120 nm under vacuum conditions, exhibiting an ideal selective responsivity and excellent imaging capability in the VUV range. This device holds promising prospects for coupling with optomechanical systems to enable a multidimensional detection of solar VUV radiation, including imaging and spectrum.
Biomimetic Gas‐Trapping Electrode Toward N2 Electrofixation
Authors: Li Di , Guo Haiyi , Wang Cui , Cao Guoliang , Jiang Lili , Guo Haocheng , Duan Jingjing , Chen Sheng 
Published: January 2025

AbstractThis work has been inspired by water striders’ hair structures, developing a class of gas self‐storage electrodes for trapping N2 for electrofixation. The electrode is comprised of nickel phosphides encapsulated by phosphorus‐doped carbon shells, showing simultaneous “superaerophilic” and “superhydrophobic” domains on the surfaces with an underwater N2 contact angle of 13.4° and water contact angle of 140.7°. Through mechanism studies combining molecular dynamics (MD) and density functional theory (DFT) simulations, it shows the superaerophilic domains that contribute to enriching N2 at the electrode/electrolyte interfaces for favorable gas feedstock supply, while superhydrophobic domains suppressing competitive hydrogen evolution. Benefit from the directly trapping N2 molecules, the electrode drives right shift of the reaction equilibrium with substantially increased Faradic efficiency up to 42.4%, rating it among the most efficient nitrogen electrofixation catalysts in aqueous electrolytes. The present finding is expected to provide an additional dimension to biomimetic mechanisms that manipulate systems beyond traditional constraint.
Therapeutic Effect of a Near‐Infrared Responsive MTX‐Mn3O4@PDA Nano‐Delivery System on Rheumatoid Arthritis
Authors: Zhang Xinwei , Wang Ziping , Bai Yu , Hu Yulun , Chen Qing , Liu Yueping , Chang Mingming 
Published: January 2025

AbstractRheumatoid arthritis (RA) is an autoimmune disease associated with chronic inflammatory processes. RA, which is typically associated with the accumulation of hyperactive immune cells (HICs), particularly M1 proinflammatory macrophages, is accompanied by elevated levels of reactive oxygen species (ROS) and decreased pH in the synovial membranes of the joints. In this work, a nano‐delivery system (MTX‐Mn3O4@PDA) is designed that can deliver photothermal materials, ROS scavengers, and synovial fibroblast inhibitors at the joint site for the treatment of RA. After injecting MTX‐Mn3O4@PDA into the inflamed site of RA, photothermal therapy is initiated by near‐infrared (NIR) laser irradiation, which resulted in the death of activated inflammatory cells at the lesion site. While polydopamine (PDA) slowly dissociates under stimulation by a low pH microenvironment. Subsequently, excess ROS interacts with the Mn3O4 nanozyme and the undissociated PDA nanozyme, promoting ROS clearance, while Methotrexate (MTX) inhibits the proliferation of synovial fibroblasts. Intra‐articular injection of MTX‐Mn3O4@PDA (7 mg kg−1) into collagen‐induced arthritis mice demonstrated efficacy in reducing toe swelling and significantly alleviating synovial inflammation, bone erosion, and cartilage degeneration. This nano‐delivery system has potential clinical applications for treating RA.
Automated and Efficient Sampling of Chemical Reaction Space
Authors: Lee Minhyeok , Ucak Umit V. , Jeong Jinyoung , Ashyrmamatov Islambek , Lee Juyong , Sim Eunji 
Published: January 2025

AbstractMachine learning interatomic potentials (MLIPs) promise quantum‐level accuracy at classical force field speeds, but their performance hinges on the quality and diversity of training data. An efficient and fully automated approach to sample chemical reaction space without relying on human intuition, addressing a critical gap in MLIP development is presented. The method combines the speed of tight‐binding calculations with selective high‐level refinement, generating diverse datasets that capture both equilibrium and reactive regions of potential energy surfaces. By employing single‐ended growing string and nudged elastic band methods, reaction pathways previously underrepresented in MLIP training sets, particularly near transition states are systematically explored. This approach yields datasets with rich structural and chemical diversity, essential for robust MLIP development. Open‐source code is provided for the entire workflow, facilitating the integration of the approach into existing MLIP development pipelines.
MMFuncPhos: A Multi‐Modal Learning Framework for Identifying Functional Phosphorylation Sites and Their Regulatory Types
Authors: Xie Juan , Dong Ruihan , Zhu Jintao , Lin Haoyu , Wang Shiwei , Lai Luhua 
Published: January 2025

AbstractProtein phosphorylation plays a crucial role in regulating a wide range of biological processes, and its dysregulation is strongly linked to various diseases. While many phosphorylation sites have been identified so far, their functionality and regulatory effects are largely unknown. Here, a deep learning model MMFuncPhos, based on a multi‐modal deep learning framework, is developed to predict functional phosphorylation sites. MMFuncPhos outperforms existing functional phosphorylation site prediction approaches. EFuncType is further developed based on transfer learning to predict whether phosphorylation of a residue upregulates or downregulates enzyme activity for the first time. The functional phosphorylation sites predicted by MMFuncPhos and the regulatory types predicted by EFuncType align with experimental findings from several newly reported protein phosphorylation studies. The study contributes to the understanding of the functional regulatory mechanism of phosphorylation and provides valuable tools for precision medicine, enzyme engineering, and drug discovery. For user convenience, these two prediction models are integrated into a web server which can be accessed at http://pkumdl.cn:8000/mmfuncphos.
Rescuing ACE2‐Deficiency‐Mediated Nucleus Pulposus Senescence and Intervertebral Disc Degeneration by a Nanotopology‐Enhanced RNAi System
Authors: Sun Kaiqiang , Kang Zijian , Yan Chen , Yu Yan , Han Linhui , Shi Yangyang , Chen Liang , Shi Jiangang , Chen Yu , Sun Jingchuan 
Published: January 2025

AbstractNucleus pulposus cell (NPC) senescence contributes to intervertebral disc degeneration (IVDD). However, the underlying molecular mechanisms are not fully understood. In this study, it is demonstrated that angiotensin‐converting enzyme 2 (ACE2) counteracted the aging of NPCs and IVDD at the cellular and physiological levels. The expression of ACE2 correlates negatively with the degree of NPC senescence and IVDD. Using both loss‐ and gain‐of‐function mouse models, it is revealed that ACE2 deficiency increased the senescence of NPCs and exacerbated injury‐ or instability‐induced IVDD, whereas ACE2 overexpression counteracted these detrimental effects. Mechanistically, integrated analysis of single‐cell and bulk transcriptomics shows that ACE2 deficiency results in the activation of TGFβ2/Smads signaling pathway and the transcription of Serpine1, ultimately triggering NPC senescence and IVDD. A nanomedical delivery system (virus‐like nanovectors, VNs) composed of nanovectors with a virus‐like surface topology and small interfering RNA targeting Serpine1 (VN‐siSer) is developed. With nanotopology‐enhanced transfection efficiency, RNA‐interfering treatment by VN‐siSer effectively alleviated NPC senescence and IVDD at both the cellular and animal levels. Overall, the data reveal the underlying mechanisms of ACE2 in NPC senescence and IVDD pathogenesis and propose a distinct paradigm of precise nanomedical senescence‐blockade RNAi for IVDD treatment.
Superior Multimodal Luminescence in a Stable Single‐Host Nanomaterial with Large‐Scale Synthesis for High‐Level Anti‐Counterfeiting and Encryption
Authors: Kong Bingyin , Pan Gencai , Wang Mengke , Tang Hongye , Lv Zhipeng , Sun Shiyu , Luo Yuxin , You Wenwu , Xu Wen , Mao Yanli 
Published: January 2025

AbstractMultimode luminescent materials exhibit tunable photon emissions under different excitation or stimuli channels, endowing them high encoding capacity and confidentiality for anti‐counterfeiting and encryption. Achieving multimode luminescence into a stable single material presents a promising but remains a challenge. Here, the downshifting/upconversion emissions, color‐tuning persistent luminescence (PersL), temperature‐dependent multi‐color emissions, and hydrochromism are integrated into Er3+ ions doped Cs2NaYbCl6 nanocrystals (NCs) by leveraging shallow defect levels and directed energy migration. The resulting NCs display strong static and dynamic colorful luminescence in response to ultraviolet, 980‐nm laser, and X‐ray. Additionally, the NCs exhibit distinct luminescent colors as the temperature increases from 330 to 430 K. Surprisingly, it also demonstrates the ability of the reversible emission modal and color in response to water. Theoretical calculations and experimental characterizations reveal that self‐trapped exciton state (STEs), chlorine vacancy defects, and ladderlike 4f energy levels of Er3+ ions contribute to multimodal luminescence. More importantly, it has extremely remarkable environmental stability, which can be stored in the air for more than 18 months, showing promising commercial prospects. This work not only gives new insights into lanthanide‐based metal halide NCs but also provides a new route for developing multimodal luminescent nanomaterials for anti‐counterfeiting and encryption.
A High Throughput Platform to Minimize Voltage and Fill Factor Losses
Authors: Haffner‐Schirmer Julian Matthias , Le Corre Vincent Marc , Forberich Karen , Egelhaaf Hans Joachim , Osterrieder Tobias , Wortmann Jonas , Liu Chao , Weitz Paul , Heumüller Thomas , Bornschlegl Andreas Josef , Wachsmuth Josua , Distler Andreas , Wagner Michael , Peng Zijian , Lüer Larry , Brabec Christoph Joseph 
Published: January 2025

AbstractOrganic photovoltaics (OPV) now can exceed 20% power conversion efficiency in single junction solar cells. To close the remaining gap to competing technologies, both fill factor and open‐circuit voltage must be optimized. The Langevin reduction factor is a well‐known concept that measures the degree to which charge extraction is favored over charge recombination. It is therefore ideally suited as an optimization target in high‐throughput workflows; however, its evaluation so far requires expert interaction. Here, an integrated high‐throughput workflow is presented, able to obtain the Langevin reduction factor within a few seconds with high accuracy without human intervention and thus suited for autonomous experiments. This is achieved by combining evidence from UV–vis spectra, current–voltage curves, and a novel implementation of microsecond transient absorption kinetics allowing, for the first time, the intrinsic determination of charge absorption cross‐sections, which is crucial to reporting stationary charge densities. The method is demonstrated by varying the donor:acceptor ratio of the high performance OPV blend PM6:Y12. The high reproducibility of the method allows to find a strictly exponential relationship between the PM6 exciton energy and the Langevin reduction factor.
Natural Dextran as an Efficient Interfacial Passivator for ZnO‐Based Electron‐Transport Layers in Inverted Organic Solar Cells
Authors: Zhang Bin , Pan Zhenshen , Li Wenming , Zhao Yushou , Qin Xiaolan , Li Aiqin , Lv Menglan , Qin Xiaofeng , Guo Weile , He Zhicai , Wang Ergang 
Published: January 2025

AbstractCompared to conventional organic solar cells (OSCs) with acidic PEDOT:PSS as the hole transport layer (HTL), inverted OSCs (i‐OSCs) with zinc oxide (ZnO) as the electron transport layer (ETL) display significant advantages in terms of high stability. However, an obvious limitation in i‐OSCs is that the sol‐gel processed ZnO layers possess detrimental defects at the interface, which hinders the improvement of its photovoltaic performance. To address this problem, a natural, and green dextran (Dex) is used as an efficient interfacial passivator to modify the ZnO layer, thereby achieving enhanced device performance in i‐OSCs. The introduction of the Dex passivator efficiently suppresses the interfacial recombination loss, resulting in higher power conversion efficiencies (PCEs). Interestingly, Dex‐passivated ZnO exhibits broad applications as an ETL for different types of i‐OSCs, including fullerene, non‐fullerene, and all‐polymer OSCs, in which the D18:Y6 system gives the highest PCE of 18.32%. This is one of the highest values reported for binary i‐OSCs. Moreover, the application of Dex significantly improves the device stability, and the T80 lifetimes based on PM6:Y6, D18:Y6, and PM6:PY‐IT exceed 1500 h. These results imply that Dex is an excellent interfacial passivator for ZnO‐based ETL for high‐efficiency and stable i‐OSCs.
Sub‐Nano Confinement Engineering Toward Anion‐Reinforced Solvation Structure to Achieve Highly Reversible Anode‐Free Lithium Metal Batteries
Authors: Xu Jipeng , Gu Haoyuan , Wu Yingjie , Lin Yiting , Zhu Minghui , Liu Honglai , Lian Cheng , Su Haiping , Li Jingkun 
Published: January 2025

AbstractThe practical application of anode‐free lithium metal batteries (AFLMBs) is impeded by poor cycling performance due to sluggish Li+ transport kinetics, unfavorable side reactions, and dendrite Li growth. To address these issues, ≈200 nm zeolitic imidazolate framework‐8 (ZIF‐8) interphase layer is introduced to enable highly reversible Li plating/stripping by electrosynthesis method. ZIF‐8 interphase layer with sub‐nano windows accelerates Li+ desolvation kinetics and thus suppresses unfavorable side reactions. Further, the internal cavities of ZIF‐8 serve as an anion reservoir to modulate anion‐reinforced solvation structure of Li+, facilitating the formation of LiF‐ and Li3N‐riched solid–electrolyte interphase. Thus, the Li/Cu@ZIF‐8 asymmetric cell exhibits remarkable Aurbach coulombic efficiency of 99.84%, and Cu@ZIF‐8/LiFePO4 AFLMB delivers impressive capacity retention (57.8%) over 400 cycles. This work highlights the effectiveness of ZIF‐8 to enable highly reversible AFLMBs and inspires the potential application of porous materials with sub‐nano windows and interval cavities in anode‐free batteries.
Root decomposition and nutrient dynamics in multifunctional forage‐biomass buffer‐strip systems
Authors: Amorim Helen C. S. , Ashworth Amanda J. , Adams Taylor C. , Savin Mary C. , Moore Philip A. 
Published: January 2025

AbstractPerennial crops are thought as a solution for enhancing food security and providing ecosystem services under a changing climate, including forage‐biomass production, reduced erosion and nutrient leaching, and soil C accumulation. However, the drivers of root decomposition and C allocation in perennial multifunctional forage‐biomass buffer‐strips as affected by fertility management are poorly elucidated. Thus, study objectives were to assess root decomposition and soil CO2 efflux on switchgrass (Panicum virgatum L.), eastern gamagrass (Tripsacum dactyloides L.), silphium (Silphium integrifolium Michx.), and intermediate wheatgrass Kernza (Thinopyrum intermedium [Host] Barkworth & D.R. Dewey) treated with poultry litter (PL) relative to the unfertilized control. Root mass loss was greatest for silphium, owing to low neutral and acid detergent fibers and lignin contents (6%) relative to the other species (16%–25%). Root‐C loss was the greatest for intermediate wheatgrass (IW), mostly driven by hemicellulose degradation. Low root mass, surface area, and volume likely enhanced root decomposition for silphium and IW. Root mass loss and C, N, and P mineralization for novel perennial buffer‐strip species were greater in PL plots. Soil organic C stocks were mostly similar across forage‐biomass species × amendment combinations. Silphium‐PL had 27%–50% greater SOC stocks after 4 years, owing to higher root sloughing and C inputs to soil. Root decomposition rates were primarily affected by root chemical composition and morphology, while soil CO2 efflux was driven by soil moisture and temperature. Greater root sloughing, C inputs, and nutrient cycling showcase the potential for C storage and multiple purposes of novel perennial buffer‐strips.
Potential of plant growth promoting rhizobacteria for enhancement of tomato growth
Authors: Mekonnen Habtamu , Kibret Mulugeta , Assefa Fassil , Kabtimer Negash 
Published: January 2025

AbstractPlant growth‐promoting rhizobacteria (PGPR) associated with roots produce several biomolecules that stimulate plant growth. The study aimed to assess the potential of PGPR for tomato (Solanum lycopersicum L.) growth enhancement. Three PGPR isolates (Pseudomonas isolates PIA2 and PIA3, and Bacillus isolate BIA1) were evaluated for growth promotion under greenhouse conditions. The experiment was conducted in three replications using Maya and Melkesalsa tomato varieties in a completely randomized design. Treatment with BIA1 resulted in the highest fresh weights of shoots (29.05 g) and roots (3.72 g) for the Maya variety (TC1) and 28.69 and 2.76 g for the Melkesalsa variety (TC2), respectively. Treatment with PIA2 showed maximum fresh weights of the shoots (25.05 g) and roots (3.26 g) for the TC2. Tomato plants treated with BIA1 and PIA2 exhibited significant increases in height, by 40.1% and 22.6% in the TC1 and 45.2% and 27.6% in the TC2, respectively. Besides, treatments with BIA1 and PIA2 in the TC1 increased the dry weight of shoots by 46.6% and 30.2% and that of roots by 73.3% and 68.7%, respectively. For the TC2, BIA1 and PIA2 isolates increased the dry weight of roots by 54.9% and 34.4% and that of roots by 68.1% and 48.9%, respectively. The results generally showed that BIA1 and PIA2 could be used to foster plant growth. Further study under field the conditions of BIA1 and PIA2 are highly recommended.
Effects of Climate Shocks on the Dynamism of Agricultural Production in Burkina Faso
Authors: Akouwerabou Dénis B. , Bako Parfait , Goh Brigitte W. M. , Kaboré Patrick J. P.‐W. 
Published: January 2025

ABSTRACTFloods constitute climate shocks that cause both tangible and intangible damage to the agricultural sector. An immediate effect of flooding on the farming sector is production loss. We analyze the effects of flooding on the dynamism of the production of Burkina Faso farmers. To this end, we apply the difference‐in‐differences method to balanced panel data covering the agricultural seasons from 2008 to 2012. Our case study involves farming areas that flooded in 2009. The results indicate that the effects of flooding persist for several agricultural seasons.