{"title":"Large language model-guided high-throughput screening for accelerated discovery of Pt-based high-entropy electrocatalysts.","authors":"Lunbo Chen, Xiangyi Shan, Cunhang Qian, Furong Cai, Yuanhua Tu, Jingbo Yu, Pengfei Wang, Zhaoyu Jin, Zhiming Cui, Jianan Xu, Min Zhou","doi":"10.1016/j.scib.2026.09.077","DOIUrl":"https://doi.org/10.1016/j.scib.2026.09.077","url":null,"abstract":"<p><p>Pt-based high-entropy alloy (Pt-HEA) catalysts show significant potential for the hydrogen evolution reaction (HER), yet their vast compositional space challenges conventional trial-and-error approaches. Here, we propose a large language model (LLM)-guided closed-loop framework for high-throughput discovery to accelerate the rational design and optimization of Pt-HEA catalysts. The framework first extracts structured knowledge from extensive literature and incorporates retrieval-augmented generation (RAG) to develop an LLM assistant tailored to HEA electrocatalysis research. The assistant transforms scattered literature knowledge, experimental constraints, and platform capabilities into experimentally feasible Pt-HEA candidate combinations and executable experimental protocols. High-throughput synthesis and screening enabled rapid evaluation of multiple Pt-HEA candidates, followed by Bayesian optimization to efficiently refine compositions within the representative Fe-Co-Ni-Cu-Pt system. This established a collaborative closed-loop workflow linking LLM-assisted candidate generation, high-throughput feedback, Bayesian optimization recommendations, density functional theory (DFT) mechanistic interpretation, and proton exchange membrane water electrolysis (PEMWE) device validation. Using this framework, we completed three iterative cycles involving 50 samples within 48 h, revealing how HER activity depends on atomic ratios in the Fe-Co-Ni-Cu-Pt system and identifying Fe<sub>30</sub>Co<sub>30</sub>Ni<sub>10</sub>Cu<sub>10</sub>Pt<sub>20</sub> as the optimal composition. Theoretical calculations demonstrated that the multimetallic local coordination environment formed by Fe, Co, Ni, and Cu regulates the electronic structure of Pt active sites and fine-tunes the Pt-H interaction. Further PEMWE testing confirmed the catalyst's promising performance under device operating conditions. This work establishes a generalizable closed-loop paradigm integrating literature knowledge, experimental feedback, and model-driven decision-making, offering a viable route to the rational design and efficient optimization of complex multicomponent electrocatalytic materials.</p>","PeriodicalId":421,"journal":{"name":"Science Bulletin","volume":" ","pages":""},"PeriodicalIF":20.7,"publicationDate":"2026-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Science BulletinPub Date : 2026-09-25DOI: 10.1016/j.scib.2026.09.072
Zhimin Jiang, Chengcai Chu
{"title":"TGW1a breaks the trade-off between early maturity and high yield for intensive rice cropping.","authors":"Zhimin Jiang, Chengcai Chu","doi":"10.1016/j.scib.2026.09.072","DOIUrl":"https://doi.org/10.1016/j.scib.2026.09.072","url":null,"abstract":"","PeriodicalId":421,"journal":{"name":"Science Bulletin","volume":" ","pages":""},"PeriodicalIF":20.7,"publicationDate":"2026-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Science BulletinPub Date : 2026-09-24DOI: 10.1016/j.scib.2026.09.068
Tianzhao Bu, Ziyue Wang, Guodong Xue, Yaoyao Liu, Chang Liu, Xiao Xiao, Yi Lv, Sicheng Dong, Quanlin Guo, Jianhua Zeng, Guoxu Liu, Wei Tang, Jun Chen, Kaihui Liu, Zhong Lin Wang, Chi Zhang
{"title":"Ultrahigh-resolution photoluminescence visualization via triboelectrification effect.","authors":"Tianzhao Bu, Ziyue Wang, Guodong Xue, Yaoyao Liu, Chang Liu, Xiao Xiao, Yi Lv, Sicheng Dong, Quanlin Guo, Jianhua Zeng, Guoxu Liu, Wei Tang, Jun Chen, Kaihui Liu, Zhong Lin Wang, Chi Zhang","doi":"10.1016/j.scib.2026.09.068","DOIUrl":"https://doi.org/10.1016/j.scib.2026.09.068","url":null,"abstract":"<p><p>High-spatial-resolution visualization of localized physical stimuli remains constrained by structural and material limitations. Here, we develop a sub-micrometer-resolution visualization platform based on the nanoscale-triboelectrification-tuned photoluminescence (PL) in two-dimensional (2D) transition-metal dichalcogenides (TMDCs). The PL intensity can be precisely regulated by controlling the contact force, scan rate and scan cycles of an atomic force microscopy (AFM) tip. With an AFM tip diameter of 20 nm and an excitation light wavelength of 532 nm, an ultrahigh resolution of 571.4 nm, corresponding to an equivalent pixel density of 44,452 pixels per inch, has been demonstrated, approaching the optical resolution limit. This work provides a proof-of-concept strategy for sub-micrometer-resolution PL visualization by coupling triboelectrification with the PL characteristic of 2D TMDCs. The proposed mechanism may provide a promising visualization platform for future high-resolution optical information encoding, mechanical mapping, and nano-optoelectronic systems.</p>","PeriodicalId":421,"journal":{"name":"Science Bulletin","volume":" ","pages":""},"PeriodicalIF":20.7,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Two-dimensional vermiculite neuroprotectants attenuate multifaceted complications in ischemic stroke.","authors":"Lishuai Feng, Lili Xia, Chenyao Wu, Chaoran Dou, Diwen Tang, Kai Sheng, Yijia Xiong, Yingying Du, Mingkang Wang, Tingting Yao, Wangshu Zhu, Haoyang Xu, Wenping Sun, Jing Lu, Xiaoer Wei, Yueqi Zhu, Wei Feng, Yu Chen, Yuehua Li","doi":"10.1016/j.scib.2026.09.067","DOIUrl":"https://doi.org/10.1016/j.scib.2026.09.067","url":null,"abstract":"<p><p>Multifaceted complications underlie suboptimal outcomes after ischemic stroke. Conventional single-target therapies fail to address the complex spatiotemporal evolution of these complications. In this work, we designed and engineered two-dimensional vermiculite nanosheets (VM NSs) as a neuroprotective platform that integrates surface-catalytic reactive oxygen species (ROS) neutralization with protein kinase B (AKT)-centered signaling modulation to mitigate ischemic-cascade complications across the full course of post-stroke pathology. VM NSs exert dual-action efficacy through a hierarchically organized catalysis-signaling axis: immediate surface-mediated redox reactions neutralize ROS, as supported by computational modeling. Concomitantly, stable hydrophobic interactions with the AKT pleckstrin homology domain modulate anti-inflammatory signaling, as revealed by molecular dynamics simulations and validated by increased AKT phosphorylation in microglia. These actions are synergistically coupled: initial ROS scavenging creates a favorable microenvironment that facilitates subsequent AKT-mediated anti-inflammatory and pro-repair effects, whereas anti-inflammatory signaling limits secondary ROS generation from activated microglia, establishing a positive feedback loop that amplifies neuroprotection. Multimodal imaging and histopathology confirm that cerebrospinal fluid-delivered VM NSs achieve ischemic-penumbra-specific biodistribution through microglial endocytosis, reducing infarction, restoring cerebral perfusion, preserving blood-brain barrier integrity, and preventing hemorrhagic transformation. This therapeutic platform addresses key translational limitations of monotherapies by combining computationally supported surface catalysis with protein-level signaling modulation, offering an interdisciplinary paradigm for managing post-stroke complications throughout disease progression.</p>","PeriodicalId":421,"journal":{"name":"Science Bulletin","volume":" ","pages":""},"PeriodicalIF":20.7,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149190546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Science BulletinPub Date : 2026-09-23DOI: 10.1016/j.scib.2026.09.053
Yuan Feng, Ye-Fei Yuan, Shuang-Nan Zhang
{"title":"Measuring the jet-black hole spin misalignment in MAXI J1820 + 070.","authors":"Yuan Feng, Ye-Fei Yuan, Shuang-Nan Zhang","doi":"10.1016/j.scib.2026.09.053","DOIUrl":"https://doi.org/10.1016/j.scib.2026.09.053","url":null,"abstract":"<p><p>Compact relativistic jets are commonly observed across multiple wavelengths during the hard-state outbursts of black hole X-ray binaries. If the axis of the jet is misaligned with the black hole spin, the jet will precess due to the effect of frame dragging of the spinning black hole. In this work, we present the first measurement of this jet-spin misalignment by modeling the phase-resolved spectra of X-ray quasi-periodic oscillations (QPOs) detected in MAXI J1820 + 070 during its hard state. We find the misalignment angle to be 30.3°<sub>-3.1°</sub><sup>+3.2°</sup>, demonstrating significant evolution throughout the hard state, with the statistical significance much greater than 5σ. This result supports a geometric origin for QPOs within the black hole spacetime and provides direct observational evidence that the low-frequency QPOs (LFQPOs) in MAXI J1820 + 070 arise from jet precession. The measured large jet-spin misalignment provides geometric constraints on jet formation models, indicating that relativistic jets are launched in a highly non-axisymmetric environment. These findings offer valuable insights into refining theories of jet acceleration and magnetic field configuration near the event horizon.</p>","PeriodicalId":421,"journal":{"name":"Science Bulletin","volume":" ","pages":""},"PeriodicalIF":20.7,"publicationDate":"2026-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Active regulation of synergistic interfacial materials for solar water purification.","authors":"Xinyu Li, Xiaoke Li, Zhen Yu, Xinrong Huang, Jun Xia, Zechang Wei, Jintong Gao, Yingtang Zhou, Lenan Zhang, Swee Ching Tan","doi":"10.1016/j.scib.2026.09.065","DOIUrl":"https://doi.org/10.1016/j.scib.2026.09.065","url":null,"abstract":"<p><p>Coupling solar interfacial evaporation with photocatalysis provides a dual-functional strategy for simultaneous freshwater production and pollutant remediation. However, the current strategy of the passive stacking of functional layers faces bottlenecks due to inherent mechanistic conflicts, specifically manifested as the heat-adsorption paradox, mass transfer mismatch, and light energy competition, often resulting in a mutual loss of overall efficiency (1+1<2). To overcome these specific limitations, we propose a paradigm shift from passive assembly to active regulation. This review defines three core design principles aimed at precisely reconciling the aforementioned conflicts: (1) achieving spatial decoupling through a Janus structure, physically isolating the heat generation area from the exothermic adsorption sites to resolve thermodynamic conflicts; (2) implementing kinetic gating through a selective transport network, regulating reactant retention and preventing catalyst poisoning to address the mass transfer mismatch; (3) alleviating light energy competition through band synergy and energy modulation, and converting waste heat into catalytic potential. Furthermore, this article establishes a quantitative evaluation framework centered on the synergistic factor, aiming to accurately distinguish between physical volatilization and chemical mineralization, thereby eliminating efficiency illusions. Finally, this review outlines the path towards intelligent, closed-loop systems, emphasizing adaptive and self-regulating platforms for next-generation water purification.</p>","PeriodicalId":421,"journal":{"name":"Science Bulletin","volume":" ","pages":""},"PeriodicalIF":20.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}