Work Experience 2018.9–now School of Chemistry and Chemical Engineering, Shandong University, Professor 2014.9–2018.8 Department of Chemistry, University of Pittsburgh, Postdoc (advisor: Prof. Peng Liu) 2012.8–2014.8 Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Research Assistant (advisor: Prof. Guo-Cong Guo) Educational Experience 2008.9–2012.7 University of Chinese Academy of Sciences Ph.D. (advisor: Prof. Zhi-Xiang Wang) 2005.9–2008.7 Northwest A&F University (Shaanxi, China) M.S. (advisor: Prof. Jun-Ru Wang) 2001.9–2005.7 Northwest A&F University (Shaanxi, China) B.Sc. (advisor: Prof. Jing-Fang Zhang)

We use computational chemistry to solve outstanding problems in synthetic organic chemistry. We develop effective computational models based on intermolecular forces to understand and predict reactivity and selectivity. We are interested in the functionalizations of simple starting materials, such as C–H, C–C, CO2, alkenes and alkynes.

Highly stereoselective α-glycosylation with GalN3 donors enabled collective synthesis of mucin-related tumor associated carbohydrates antigens Kunxiu Shou, Yunqin Zhang, Yujie Ji, Bin Liu, Qingli Zhou, Qiang Tan, Fuying Li, Xiufang Wang, Gang Lu* and Guozhi Xiao* Chem. Sci. 2024, Accepted Manuscript Origin of site-selectivity of hydrogen atom transfer in carbohydrate C–H alkylations via photoredox catalysis Yujie Ji, Lingfei Hu, Han Gao, Yan-Bo Wu, Xiangying Lv* and Gang Lu* Org. Chem. Front. 2024, Advance Article Rhodium(I)-Catalyzed Asymmetric Hydroarylative Cyclization of 1,6-Diynes to Access Atropisomerically Labile Chiral Dienes Panjie Hu, Lingfei Hu, Xiao-Xi Li, Mengxiao Pan, Gang Lu,* and Xingwei Li* Angew. Chem. Int. Ed. 2024, 63, e202312923. Carbon-Bonding Metal Catalysis (CBMC): A Supramolecular Complex Directs Structural-Isomer Selection in Gold-Catalyzed Reactions Xinxin Li, Lingfei Hu, Gang Lu*, and Yao Wang* J. Am. Chem. Soc. 2023, 145, 39, 21554–21561. Deciphering the Timing of Naphthalenic Ring Formation in the Biosynthesis of 8-Deoxyrifamycins Feng Ye, Xia Zhao, Yanrong Shi, Yanlei Hu, Yanjiao Ding, Chunhua Lu, Yaoyao Li, Haoxin Wang, Gang Lu*, and Yuemao Shen* Org. Lett. 2023, 25, 35, 6474–6478. Nickel-catalysed enantioselective hydrosulfenation of alkynes Ya-Qian Zhang, Lingfei Hu, Liyan Yuwen, Gang Lu*, Qing-Wei Zhang* Nat. Catal. 2023, DOI: 10.1038/s41929-023-00966-9. Divergent Rh Catalysis: Asymmetric Dearomatization Versus C–H Activation Initiated by C–C Activation Xiaotong Li, Lingfei Hu, Shuo Ma, Haiyong Yu, Gang Lu*, Tao Xu* ACS Catal. 2023, 13, 7, 4873–4881. How hexafluoroisopropanol solvent promotes Diels–Alder cycloadditions: ab initio metadynamics simulations Xia Zhao, Xinmin Hu, Xiangying Lv, Yan-Bo Wu, Yuxiang Bu, Gang Lu* Phys. Chem. Chem. Phys. 2023, 25, 14695–14699. Ab Initio Metadynamics Simulations of Hexafluoroisopropanol Solvent Effects: Synergistic Role of Solvent H-Bonding Networks and Solvent-Solute C−H/π Interactions Xinmin Hu, Xia Zhao, Xiangying Lv, Yan-Bo Wu, Yuxiang Bu, Gang Lu*Chem. Eur. J. 2023, 29, e202203879. Origins of Regioselectivity in CuH-Catalyzed Hydrofunctionalization of Alkenes Lingfei Hu, Han Gao, Yanlei Hu, Yan-Bo Wu, Xiangying Lv*, Gang Lu*J. Org. Chem. 2023, 88, 5, 2750–2757 Mechanism of Co(iii)-catalyzed annulation of N-chlorobenzamide with styrene and origin of cyclopentadienyl ligand-controlled enantioselectivity Han Gao,‡ Wujie Wang,‡ Xiangying Lv, Gang Lu*, Yuliang Li* Org. Chem. Front. 2023, Advance Article Weak Electrostatic Interactions with Bisphosphine Ligands Facilitate Reductive Elimination of PhCF3 from Pd(II) Complexes Han Gao, Lingfei Hu, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu*Chem. Asian J. 2023, 18, e202201219. Stereoretentive Regio- and Enantioselective Allylation of Isoxazolinones by a Planar Chiral Palladacycle Catalyst Xin Yu, Lingfei Hu, Wolfgang Frey, Gang Lu*, René Peters*Angew. Chem. Int. Ed. 2022, e202210145. Origins of regioselectivity in Ni-catalyzed hydrofunctionalization of alkenes via ligand-to-ligand hydrogen transfer mechanism Han Gao, Lingfei Hu, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu*Chem. Commun. 2022, 58, 8650-8653. Computational insights into strain-increase allylborations for alkylidenecyclopropanes Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu* Chem. Commun. 2022, 58, 7034-7037. Total synthesis of Lentinus giganteus glycans with antitumor activities via stereoselective α-glycosylation and orthogonal one-pot glycosylation strategies Yunqin Zhang, Yanlei Hu, Shanshan Liu, Haiqing He, Roujing Sun, Gang Lu*, Guozhi Xiao* Chem. Sci. 2022, 13, 7755-7764. Site-Divergent Alkenyl C–H Fluoroallylation of Olefins Enabled by Tunable Rhodium Catalysis Yaxin Zeng, Han Gao, Yulei Zhu, Zhong-Tao Jiang, Gang Lu*, Ying Xia* ACS Catal. 2022, 12, 15, 8857-8867. Computational study of Cu-catalyzed 1,2-hydrocarboxylation of 1,3-dienes with CO2: Pauli repulsion-controlled regioselectivity of Cu–Bpin additions Yanlei Hu, Lingfei Hu, Han Gao, Xiangying Lv, Yan-Bo Wu, Gang Lu* Org. Chem. Front. 2022, 9, 2240-2248. Palladium-Catalyzed Stagewise Strain-Release-Driven C-C Activation of Bicyclo[1.1.1]pentanyl Alcohols Songjie Yu*, Yinan Ai, Lingfei Hu, Gang Lu*, Chunying Duan, Yue Ma Angew. Chem. Int. Ed. 2022, 61, e202200052. Origins of regio- and stereoselectivity in Cu-catalyzed alkyne difunctionalization with CO2 and organoboranes Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu*Org. Chem. Front. 2022, 9, 1033-1039. How electron-deficient Cp ligand facilitates Rh-catalyzed annulations with alkynes Han Gao, Lingfei Hu, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu*Org. Chem. Front. 2022, 9, 979-988. Origin of Ligand Effects on Stereoinversion in Pd-Catalyzed Synthesis of Tetrasubstituted Olefins Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu*J. Org. Chem. 2021, 86, 24, 18128-18138. Multiple Reaction Pathways of Eight-Membered Rhodacycles in Rh-Catalyzed Annulations of 2-Alkenyl Phenols/Anilides with Alkynes Tao Liu*, Lingli Han, Jing Zhang*, Gang Lu*J. Org. Chem. 2021, 86, 15, 10484-10491. Electrostatic repulsion-controlled regioselectivity in nitrene-mediated allylic C–H amidations Fang Huang*, Xiaoxiao Tian, Fangao Hou, Yaping Xu, Gang Lu*Org. Chem. Front. 2021, 8, 6038-6047. Rh-Catalyzed Cascade C–C/Colefin–H Activations and Mechanistic Insight Yuxi Wang, Bo Qiu, Lingfei Hu, Gang Lu*, Tao Xu* ACS Catal. 2021, 11, 15, 9136-9142. Origins of Lewis acid acceleration in nickel-catalysed C–H, C–C and C–O bond cleavage Han Gao, Lingfei Hu, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu* Catal. Sci. Technol. 2021, 11, 4417-4428. Computational study of silver-catalyzed stereoselective hydroalkylation of alkynes: Pauli repulsion controlled Z/E selectivity Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu* Chem. Commun. 2021, 57, 6412-6415. Merging Reagent Modulation and Remote Anchimeric Assistance for Glycosylation: Highly Stereoselective Synthesis of α-Glycans up to a 30-mer Yunqin Zhang, Dr. Haiqing He, Zixi Chen, Yingying Huang, Guisheng Xiang, Penghua Li, Xingkuan Yang, Gang Lu*, Guozhi Xiao* Angew. Chem. Int. Ed. 2021, 60, 22, 12597-12606. Para‐Selective Cyanation of Arenes by H‐Bonded Template Sandeep Pimparkar, Trisha Bhattacharya, Arun Maji, Argha Saha, Ramasamy Jayarajan, Uttam Dutta, Gang Lu*, David W Lupton*, Debabrata Maiti* Chem. Eur. J. 2020, 26, 11558-11564. Density Functional Theory Mechanistic Study of Ni-Catalyzed Reductive Alkyne–Alkyne Cyclodimerization: Oxidative Cyclization versus Outer-Sphere Proton Transfer Xiaojian Ren, Yu Lu, Gang Lu*, Zhi-Xiang Wang* Org. Lett. 2020, 22, 6, 2454–2459.