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2023年11月嘲风作品集（一）

已有 494 次阅读 2024-1-25 14:23 |个人分类:作品发表|系统分类:论文交流

▲ Vol 18 Issue 06 | November , 2023

Mechanistic engineering of celastrol liposomes induces ferroptosis and apoptosis by directly targeting VDAC2 in hepatocellular carcinoma

Piao Luo, Qian Zhang, Shuo Shen, Yehai An, Lixia Yuan, Yin-Kwan Wong, Sizhe Huang, Shaohui Huang, Jingnan Huang, Guangqing Cheng, Jiahang Tian, Yu Chen, Xiaoyong Zhang, Weiguang Li, Songqi He, Jigang Wang, Qingfeng Du

Hepatocellular carcinoma (HCC) is one of most common and deadliest malignancies. Celastrol (Cel), a natural product derived from the Tripterygium wilfordii plant, has been extensively researched for its potential effectiveness in fighting cancer. However, its clinical application has been hindered by the unclear mechanism of action. Here, we used chemical proteomics to identify the direct targets of Cel and enhanced its targetability and anti-tumor capacity by developing a Cel-based liposomes in HCC. We demonstrated that Cel selectively targets the voltage-dependent anion channel 2 (VDAC2). Cel directly binds to the cysteine residues of VDAC2, and induces cytochrome C release via dysregulating VDAC2-mediated mitochondrial permeability transition pore (mPTP) function. We further found that Cel induces ROS-mediated ferroptosis and apoptosis in HCC cells. Moreover, coencapsulation of Cel into alkyl glucoside-modified liposomes (AGCL) improved its antitumor efficacy and minimized its side effects. AGCL has been shown to effectively suppress the proliferation of tumor cells. In a xenograft nude mice experiment, AGCL significantly inhibited tumor growth and promoted apoptosis. Our findings reveal that Cel directly targets VDAC2 to induce mitochondria-dependent cell death, while the Cel liposomes enhance its targetability and reduces side effects. Overall, Cel shows promise as a therapeutic agent for HCC.

‍https://www.sciencedirect.com/science/article/pii/S1818087623001009‍

▲ Vol 06 Issue 06 | November , 2023

MXene-Based Quantum Dots Optimize Hydrogen Production via Spontaneous Evolution of Cl- to O-Terminated Surface Groups

Yuhua Liu, Xiaoyu Zhang, Wei Zhang, Xin Ge, Yan Wang, Xu Zou, Xinyan Zhou, Weitao Zheng

MXene quantum dots (MQDs) offer wide applications owing to the abundant surface chemistry, tunable energy-level structure, and unique properties. However, the application of MQDs in electrochemical energy conversion, including hydrogen evolution reaction (HER), remains to be realized, as it remains a challenge to precisely control the types of surface groups and tune the structure of energy levels in MQDs, owing to the high surface energy–induced strong agglomeration in post-processing. Consequently, the determination of the exact catalytically active sites and processes involved in such an electrocatalysis is challenging because of the complexity of the synthetic process and reaction conditions. Herein, we demonstrated the spontaneous evolution of the surface groups of the Ti2CTx MQDs (x: the content of O atom), i.e., replacement of the -Cl functional groups by O-terminated ones during the cathode reaction. This process resulted in a low Gibbs free energy (0.26 eV) in HER. Our steady Ti2COx/Cu2O/Cu foam systems exhibited a low overpotential of 175 mV at 10 mA cm−2 in 1 M aq. KOH, and excellent operational stability over 165 h at a constant current density of −10 mA cm−2.

https://onlinelibrary.wiley.com/doi/10.1002/eem2.12438

▲ Vol 145 Issue 43 | November 01, 2023

Data-Driven Insight into the Reductive Stability of Ion–Solvent Complexes in Lithium Battery Electrolytes

Yu-Chen Gao, Nan Yao, Xiang Chen, Legeng Yu, Rui Zhang, and Qiang Zhang

Lithium (Li) metal batteries (LMBs) are regarded as one of the most promising energy storage systems due to their ultrahigh theoretical energy density. However, the high reactivity of the Li anodes leads to the decomposition of the electrolytes, presenting a huge impediment to the practical application of LMBs. The routine trial-and-error methods are inefficient in designing highly stable solvent molecules for the Li metal anode. Herein, a data-driven approach is proposed to probe the origin of the reductive stability of solvents and accelerate the molecular design for advanced electrolytes. A large database of potential solvent molecules is first constructed using a graph theory-based algorithm and then comprehensively investigated by both first-principles calculations and machine learning (ML) methods. The reductive stability of 99% of the electrolytes decreases under the dominance of ion–solvent complexes, according to the analysis of the lowest unoccupied molecular orbital (LUMO). The LUMO energy level is related to the binding energy, bond length, and orbital ratio factors. An interpretable ML method based on Shapley additive explanations identifies the dipole moment and molecular radius as the most critical descriptors affecting the reductive stability of coordinated solvents. This work not only affords fruitful data-driven insight into the ion–solvent chemistry but also unveils the critical molecular descriptors in regulating the solvent’s reductive stability, which accelerates the rational design of advanced electrolyte molecules for next-generation Li batteries.

‍https://pubs.acs.org/doi/10.1021/jacs.3c08346‍

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