Results 131 to 140 of about 14,287 (211)

Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells

Advanced Science, EarlyView.
A generative artificial intelligence (AI) framework combining a discriminative machine learning model (SMILES‐X) and a generative language model (GPT‐2) autonomously discovers new molecular passivators for perovskite solar cells (PSCs). Through an iterative design loop, over 100 000 candidates are generated and screened, and randomly selected molecules
Adroit T. N. Fajar, Guillaume Lambard, Jessie Manopo, Ruili Guo, Kevin Septioga, Rizfi F. Pari, Toshinori Matsushima, Zhanglin Guo   +7 more
wiley   +1 more source

Hydrogen (H2) Recovery From Hydrogen Sulfide (H2S): Current Technologies, Challenges, and Future Outlook

Advanced Science, EarlyView.
ABSTRACT Hydrogen sulfide (H2S) can be transformed into hydrogen (H2) through several chemical and catalytic processes, offering a promising route for both waste treatment and clean H2 production. This colorless, flammable, and toxic gas is found abundantly in swamps, volcanoes, hot springs, sewages, other natural gas fields, and even in refineries and
Divyesh Cirikonda, Astrid Campos‐Mata, Sehmus Ozden, Shreyasi Chattopadhyay, Pulickel M. Ajayan   +4 more
wiley   +1 more source

NQO1‐Mediated Anoikis Resistance and Immune Evasion Define a High‐Risk Multi‐Omic Subtype for Precision Management of T1 High‐Grade Bladder Cancer

Advanced Science, EarlyView.
Multi‐omic profiling of T1 high‐grade bladder cancer identifies a high‐risk subtype (T1HG1) driven by NQO1, which couples anoikis resistance with immune evasion. NQO1 orchestrates macrophage–T cell crosstalk suppression via CXCL9 modulation. Pharmacological NQO1 inhibition with skullcapflavone II enhances cisplatin efficacy, representing a promising ...
Bin Guo, Chunru Xu, Shufan Fu, Qiang Cheng, Juan Li, Linkuo Shang, Gaojie Li, Yang Yang, Ying Wang, Yanqing Gong, Shengwei Xiong, Jian Fan, Changwei Yuan, Mei Zhang, Yifan Zuo, Elena Papaleo, Yue Shi, Yuan Liang, Xuesong Li, Hongzhao Li, Weimin Ci   +20 more
wiley   +1 more source

Endogenous Engineering Reprograms Extracellular Vesicles for Enhanced Therapeutic Function

Advanced Science, EarlyView.
This review explains how Extracellular vesicles‐producing cells can be endogenously engineered to load therapeutic proteins and nucleic acids. We summarize physiological and genetic strategies that harness native sorting pathways for selective cargo loading.
Jinghui Wang, Wenxuan Zhao, Xiaoming Hu, Yishu Wang, Peidong Yang, Diwei Zheng, Yugang Wang, Guanghui Ma, Min Shi, Wei Wei, Shuang Wang   +10 more
wiley   +1 more source

Toward Prostate Cancer Early Warning with a Self‐Powered Wearable Biosensing Platform Integrated with Machine Learning

Advanced Science, EarlyView.
ABSTRACT Current prostate cancer detection methods remain limited in non‐invasiveness and specificity, prompting interest in urinary biomarkers such as sarcosine. Here, we report a urine‐powered wearable platform for non‐invasive sarcosine detection as a proof‐of‐concept for decentralized early warning.
Jing Xu, Hanxiao Chen, Qichen Yuan, Liucun Yin, Yifang Tao, Hong Wang, Yuquan Xue, Delai Fu, Huan Pang, Tie Chong, Li Xue   +10 more
wiley   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

Spontaneous Non‐Catalyzed Molecular Reactions and Interactions in the Human Body: Biomedical Implications

Advanced Science, EarlyView.
ABSTRACT The human body functions as a natural reactor for a vast network of chemical and biological reactions and physical interactions among small molecules, proteins, cells, and numerous other components. These reactions/interactions are essential for maintaining normal physiological functions.
Yuhao Cai, Chao Zhao
wiley   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Deciphering Short‐Range Order in 2D Transition Metal Dichalcogenides: From Origin to Multi‐Scale Property Modulation

Advanced Science, EarlyView.
Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu, Linggang Zhu, Jian Zhou, Zhimei Sun   +3 more
wiley   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source