| 2 | First‑principles computational insights into lithium battery cathode materials显示文摘Lithium-ion batteries(LIBs)are considered to be indispensable in modern society.Major advances in LIBs depend on the development of new high-performance electrode materials,which requires a fundamental understanding of their properties.First-principles calculations have become a powerful technique in developing new electrode materials for high-energy–den-sity LIBs in terms of predicting and interpreting the characteristics and behaviors of electrode materials,understanding the charge/discharge mechanisms at the atomic scale,delivering rational design strategies for electrode materials,etc.In this review,we present an overview of first-principles calculation methods and highlight their valuable role in contemporary research on LIB cathode materials.This overview focuses on three LIB cathode scenarios,which are divided by their cati-onic/anionic redox mechanisms.Then,representative examples of rational cathode design based on theoretical predictions are presented.Finally,we present a personal perspective on the current challenges and future directions of first-principles calculations in LIBs. | Shu Zhao Boya Wang Zihe Zhang Xu Zhang Shiman He Haijun Yu | 2022 | Electrochemical Energy Reviews2022，5，1： | 0 |
| 3 | Integrated proteogenomic characterization across major histological types of pituitary neuroendocrine tumors显示文摘Pituitary neuroendocrine tumor(PitNET)is one of the most common intracranial tumors.Due to its extensive tumor heterogeneity and the lack of high-quality tissues for biomarker discovery,the causative molecular mechanisms are far from being fully defined.Therefore,more studies are needed to improve the current clinicopathological classification system,and advanced treatment strategies such as targeted therapy and immunotherapy are yet to be explored.Here,we performed the largest integrative genomics,transcriptomics,proteomics,and phosphoproteomics analysis reported to date for a cohort of 200 PitNET patients.Genomics data indicate that GNAS copy number gain can serve as a reliable diagnostic marker for hyperproliferation of the PIT1 lineage.Proteomics-based classification of PitNETs identified 7 clusters,among which,tumors overexpressing epithelial-mesenchymal transition(EMT)markers clustered into a more invasive subgroup.Further analysis identified potential therapeutic targets,including CDK6,TWIST1,EGFR,and VEGFR2,for different clusters.Immune subtyping to explore the potential for application of immunotherapy in PitNET identified an association between alterations in the JAK1-STAT1-PDL1 axis and immune exhaustion,and between changes in the JAK3-STAT6-FOS/JUN axis and immune infiltration.These identified molecular markers and alternations in various clusters/subtypes were further confirmed in an independent cohort of 750 PitNET patients.This proteogenomic analysis across traditional histological boundaries improves our current understanding of PitNET pathophysiology and suggests novel therapeutic targets and strategies. | Fan Zhang Qilin Zhang Jiajun Zhu Boyuan Yao Chi Ma Nidan Qiao Shiman He Zhao Ye Yunzhi Wang Rui Han Jinwen Feng Yongfei Wang Zhaoyu Qin Zengyi Ma Kai Li Yichao Zhang Sha Tian Zhengyuan Chen Subei Tan Yue Wu Peng Ran Ye Wang Chen Ding Yao Zhao | 2022 | Cell Research2022，32，12： | 0 |
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