研究队伍

助理研究员

 Email：sundongru(AT)nbu.edu.cn

研究领域：

计算化学

非血红素仿生氧化体系的构效关系及机理的理论研究

个人简介：

本人长期从事非血红素仿生氧化体系的构效关系与反应机理的理论研究，重点关注活性氧化中间体的电子结构、反应选择性及复杂氧化反应机制。近年来,以第一作者或通讯作者在J. Am. Chem. Soc.、ACS Catal.、Anal. Chem.、Inorg. Chem.、Chem. Commun.等国际学术期刊发表多篇代表性研究成果。主持国家自然青年科学基金、浙江省自然科学基金、宁波市自然科学基金及国家重点实验室开放课题各1项；同时作为主要参与人参与国家自然科学基金面上项目、国家自然科学基金重大研究计划项目。

教育与科研经历：

2013.09-2018.12

吉林大学，物理化学专业，博士

2019.01-至今

宁波大学，新药技术研究院，助理研究员

2025.10-2026.10

英属哥伦比亚大学(UBC)，访问学者, 合作导师：

Jolene P. Reid

科研项目：

1. 国家自然科学基金委员会，青年基金项目，22603067，非血红素仿生体系中醛去甲酰化反应竞争路径选择规律的理论研究，2027-01至2029-12，30万元，在研，主持。

2. 浙江省自然科学基金委员会,青年基金项目, LQ20B030004, 前列环素合成酶PGIS催化机理及动力学的理论研究, 2020-01至2022-12, 9万元, 已结题, 主持。

3. 宁波市科学技术局，一般项目，202003N4079，细胞色素P450酶的催化机理及动力学的理论研究，2020.01-2022.12，4万，已结题，主持。

4. 分子反应动力学国家重点实验室开放课题“与心血管疾病相关的P450同工酶代谢机理和动力学的理论研究”SKLMRD-K202005，2020-01至2020-12，5万元，已结题，主持。

5. 国家自然科学基金委员会, 面上项目, 22373053, 非血红素仿生氧化化学中几种重要反应机理的理论 研究, 2024-01-01 至 2027-12-31, 50万元, 在研, 参与.

6. 国家自然科学基金委员会, 重大研究计划, 92256203, 磷调控核苷对多肽合成的手性选择、传递及放大机制研究, 2023-01-01 至 2026-12-31, 300万元, 在研, 参与

代表性论文：

1. Dongru Sun*, Jolene P. Reid*. Non-Innocent Bromide Redirects Sulfur Oxygenation through O–O Bond Cleavage in a Nonheme Fe(III)–Superoxo System. ACS Catal., 2026. DOI: 10.1021/acscatal.6c05295

2. Dongru Sun, Zhimin Wu, Yufen Zhao, Wonwoo Nam*, Yong Wang*. How Do Brønsted Acids Promote Olefin Oxidations by the Bioinspired Nonheme CoIII(PhIO)(OH) Complex? Low-Barrier Hydrogen Bonds Make a Difference. J. Am. Chem. Soc., 2023, 145, 5739–5749.

3. Wenjuan Zhu,^¶ Dongru Sun^¶, Anran Zhou, Shoujun Wang, Yi Zhang, Henrik P. H. Wong, Akhilesh Kumar, Xiaoyan Lu, Peng Wu, Sayanta Sekhar Nag, Yong Wang*, Kallol Ray*, Sam P. de Visser*, Wonwoo Nam*. Debate of Nucleophilic versus Electrophilic Oxidative Aldehyde Deformylation by Mononuclear Nonheme Iron(III)-Peroxo and Iron(IV)-Oxo Complexes. J. Am. Chem. Soc., 2025, 147, 15006–15018.

4. Shuyi Lu, Qian Wu, Shanshan Wang*, Dongru Sun*, Yan Liu, Shaohua Huang, Biling Huang*. ^{^}19F NMR-Guided Chiral Analysis and Machine Learning for Absolute Configuration Prediction of Carboxylic Acids. Anal. Chem., 2025, 97, 22986–22994.

5. Zi-Xian Zhan, Bowen Shi, Shoujun Wang, Yufen Zhao, Dongru Sun*, Yong Wang*. Theoretical Investigation of Dioxygen Activation and Hydrocarbon Oxidation Catalysed by Bioinspired Metal–Organic Frameworks. Chem. Commun., 2026, 62, 3287–3290.

6. Chao Zhang, Zixian Zhan, Dongru Sun*, Hongbin Zhai*, Hua Zhao*, Yufen Zhao. The Succinimide Group as a Traceless Activator for Lewis Acid-Catalyzed Diarylative Ring-Opening of Cyclopropanes with Carbazoles and Electron-Rich Arenes. J. Org. Chem., 2026, 91, 522–533.

7. Chunxia Wu, Shoujun Wang, Dongru Sun, Jie Chen*, Wenhua Ji, Yong Wang*, Wonwoo Nam*, Bin Wang*. Nonheme Manganese-Catalyzed Oxidative N-Dealkylation of Tertiary Amides: Manganese(IV)-Oxo Aminopyridine Cation Radical Species and Hydride Transfer Mechanism. J. Am. Chem. Soc., 2025, 147, 11432–11445.

8. Zi-Ying Wang, Shoujun Wang, Nan-Nan Dai, Yao Xiao, Yu Zhou, Wen-Chan Tian, Dongru Sun, Qiang Li, Yong Wang*, Wen-Ting Wei*. Carbon–Carbon Triple Bond Cleavage and Reconstitution to Achieve Aryl Amidation Using Nitrous Acid Esters. Nature Commun., 2025, 16, 993.

9. Zhimin Wu, Xuan Zhang, Lanping Gao, Dongru Sun*, Yufen Zhao, Wonwoo Nam*, Yong Wang*. Elusive Active Intermediates and Reaction Mechanisms of ortho-/ipso-Hydroxylation of Benzoic Acid by Hydrogen Peroxide Mediated by Bioinspired Iron(II) Catalysts. Inorg. Chem., 2023, 62, 14261–14278.

10. Shoujun Wang, Dongru Sun*, Zhimin Wu, Yufen Zhao, Yong Wang*. The Elusive Reaction Mechanism of Mn(II)-Mediated Benzylic Oxidation of Alkylarene by H₂O₂: A gem-Diol Mechanism or a Dual Hydrogen Abstraction Mechanism? Dalton Trans., 2023, 52, 18247–18256.

11. Anran Zhou, Xiao-Xi Li, Dongru Sun*, Xuanyu Cao, Zhimin Wu, Huanhuan Chen, Yufen Zhao, Wonwoo Nam*, Yong Wang*. Theoretical Investigation on the Elusive Structure–Activity Relationship of the Bioinspired High-Valent Nickel–Halogen Complexes in the Oxidative Fluorination Reactions. Dalton Trans., 2023, 52, 1977–1988.

12. Xiaolu Chen, Dongru Sun*, Lanping Gao, Yufen Zhao, S. P. de Visser*, Yong Wang*. Theoretical Studies Unveil the Unusual Bonding in Oxygenation Reactions Involving Cobalt(II)-Iodylarene Complexes. Chem. Commun., 2021, 57, 3115–3118.

13. Dongru Sun*, Xiaolu Chen, Lanping Gao, Yufen Zhao, Yong Wang*. Theoretical Study on the Structural-Function Relationship of Manganese(III)-Iodosylarene Adducts. Front. Chem., 2020, 8, 744.