Yingqi Li

Exploring biochemical systems, reaction mechanisms, and molecular dynamics through computation.

Date of birth: 27 July 2005

Hometown: Zhenjiang, Jiangsu, P.R.C.

Telephone: +86 151 6299 8429

Email: yingqilichem@gmail.com

GitHub ↗

01. Background

Affiliations

2020—2023

Jiangsu Provincial Zhenjiang No. 1 High School

2023—Present

B.Sc

School of Pharmacy, Jiangsu Ocean University

2026—Present

Research Assistant in Theoretical and Computational Chemistry

School of Chemistry and Materials Science, Nanjing Normal University (Advisor: Prof. Haiyan Wei)

02. Current focus

Research Interests

Complex biochemical systems
QM/MM methods
Reaction mechanism studies
Computational chemistry programming
Molecular dynamics simulations

03. Away from the desk

Personal Interests

Cats — especially blue and tabby cats
“Touching fish”
Restaurant exploration

04. Selected work

Publications

2026

Xueyi Ji, Ziyue Huang, Yingqi Li, Xi Chen, Jiawei Xu, Haiyan Wei; JMJD5 Dioxygenase Inhibition Mechanism by 2-Hydroxyglutarate: A QM/MM Study. ACS Phys. Chem Au 2026; https://doi.org/10.1021/acsphyschemau.6c00095

Zijian Chen, Yingqi Li, Xiaotian Zhang, Yong Wu, Hongyan Ren, Jiawei Xu; Asynchronous Radical Addition-Coupled Two-Electron Transfer in P450-Catalyzed Arene Oxidation. ACS Org. Inorg. Au 2026; https://doi.org/10.1021/acsorginorgau.6c00038

05
Ziyue Huang; Yingqi Li; Xiaotian Zhang; Xi Chen; Jiawei Xu^*; Haiyan Wei^*.
Elucidating the Oxygen-Activation Mechanism in Nonheme Mn^II-, Fe^II-, or Co^II-Containing MOFs Mimicking Fe^II/2-Oxoglutarate-Dependent Complexes.
Inorganic Chemistry 2026, 65 (22), 12206–12219.

04
Wei Deng^#; Jiawei Xu^#; Junyi Yu; Yingqi Li; Min Zhao; Xianfeng Huang^*.
Self-Driven-Formed Cu(III) Enables Rapid Decomplexation of Cu(II)-EDTA in UV/Peroxymonosulfate under Acidic Conditions.
ACS ES&T Water 2026, 6 (2), 913–921.

2025

03
Ziwei Wang^#; Yingqi Li^#; Han Zhang; Nan Jiang^*; Jiawei Xu^*; Dongxia Zhu; Martin R. Bryce^*.
Non-Traditional Luminescent Polyurethanes of n–π Electron Hybrid Structures with Varying Separation of Aromatic Rings.
ACS Applied Polymer Materials 2025, 7 (18), 12337–12344.

02
Yajie Meng; Ziyue Huang; Xi Chen; Yingqi Li; Xueyuan Yan^*; Jiawei Xu^*; Haiyan Wei^*.
Curvature-Influenced Electrocatalytic NRR Reactivity by Heme-like FeN₄-Site on Carbon Materials.
Molecules 2025, 30 (8), 1670.

2024

01
Yajie Meng; Xi Chen; Yingqi Li; Yunlong Shang; Yulin Guo; Yong Wu^*; Haiyan Wei^*; Jiawei Xu^*.
Marcus Inverted Region in Organic Long-Persistent Luminescence Host–Guest Systems Designed from a Thermally Activated Delayed Fluorescence Molecule: A Mechanism Study.
Journal of Materials Chemistry C 2024, ASAP.

^# Equal contribution. ^* Corresponding author.