Publications
2026 (10)
97. Large Language Models in Chemistry and Materials Science: A Comprehensive Survey
π BilingualPublished: Sep 21, 2026
96. Symmetry-Aware Flow Matching for End-to-end Molecular Crystal Generation
π BilingualPublished: Sep 28, 2026
95. An agentic preparative thin-layer chromatography system for autonomous purification
π BilingualPublished: Oct 14, 2026
94. Hypothesis-and-Refinement Learning of Organic Structures from Multimodal Spectroscopic Data
π BilingualPublished: Sep 11, 2026
93. A Cross-Domain Graph Learning Protocol for Single-Step Molecular Geometry Refinement
π BilingualPublished: Jul 12, 2026
92. MoleCode unlocks structural intelligence in large language models
π BilingualPublished: May 15, 2026
91. Cycle-MS: A Closed-Loop End-to-End Framework for Mass Spectrometry Structure Elucidation
π BilingualPublished: Feb 25, 2026
90. Infrared Spectra Prediction for Carbonyl Group Utilizing a Graph Network Approach
π BilingualPublished: Feb 6, 2026
89. Unsupervised Hierarchical Symbolic Regression for Interpretable Property Modeling in Complex Multi-Variable Systems
π BilingualPublished: Jan 7, 2026
88. Automation and AI-Powered Prediction in Chromatographic Separation
π BilingualPublished: Dec 22, 2025
2025 (6)
87. Computed ECD spectral data for over 10,000 chiral organic small molecules
π BilingualPublished: Oct 14, 2025
86. Multimodal Learning in Synthetic Chemistry Applications: Gas Chromatography Retention Time Prediction and Isomer Separation Optimization
π BilingualPublished: Jul 2025
85. Intelligent Column Chromatography Prediction Model Based on Automation and Machine Learning
π BilingualPublished: May 2025
83. Explicit relation between thin film chromatography and column chromatography conditions from statistics and machine learning
π BilingualPublished: Jan 19, 2025
82. Decoupled peak property learning for efficient and interpretable ECD spectra prediction
π BilingualPublished: Jan 3, 2025
2024 (9)
81. Recent Advances in Methodologies for Radical-Mechanistic Borylation
π BilingualPublished: Oct 17, 2024
80. Research Progress on Photocatalytic Carboxylation Reactions Based on Radical Mechanisms
Published: Oct 11, 2024
79. Infrared Spectra Prediction for Functional Group Region Utilizing a Machine Learning Approach with Structural Neighboring Mechanism
π BilingualPublished: Sep 19, 2024
78. Artificial Intelligence-Enabled Chromatography Technology
Published: Jul 3, 2024
76. Machine Learning-Driven Discovery and Structure-Activity Relationship Analysis of Conductive Metal-Organic Frameworks
π BilingualPublished: May 20, 2024
75. Visible-Light Induced Transition-Metal Free Redox-Neutral Carboxylation of Remote C(sp3)-H bonds via 1,5-Hydrogen Atom Transfer
π BilingualPublished: Dec 13, 2023
74. Photoinduced Decarbonylative Borylation of Alkyl Aldehyde through 4-Alkyl-1,4-Dihydropyridines
π BilingualPublished: Dec 2023
73. Empowering Research in Chemistry and Materials Science through Intelligent Algorithms
π BilingualPublished: Dec 2023
2023 (8)
72. Transforming organic chemistry research paradigms: moving from manual efforts to the intersection of automation and artificial intelligence
π BilingualPublished: Oct 31, 2023
71. First-principles Investigation of the Unique Role of Anode Surfaces in Organic Electrochemical Reactions
π BilingualPublished: Jul 31, 2023
70. Transition-metal Free Visible Light Photoredox-catalyzed Remote C(sp3)-H Borylation Enabled by 1,5-Hydrogen Atom Transfer
π BilingualPublished: Jul 24, 2023
69. Photocarboxylation of Remote C-H Bond through Nitrogen-Centred Radicals 1,5-Hydrogen Atom Transfer
π BilingualPublished: Jun 2023
68. Retention Time Prediction for Chromatographic Enantioseparation by Quantile Geometry-enhanced Graph Neural Network
π BilingualPublished: May 29, 2023
67. Direct Stannylation and Silylation of Benzyl Alcohol by Palladium Catalysis
π BilingualPublished: Feb 15, 2023
66. Preview: "Cage escape" in photosensitized of diazonium derivatives
π BilingualPublished: Feb 2023
65. How to Embrace the Intelligent Era: Taking Chemistry as an Example
Published: Mar 14, 2022
2022 (9)
64. High-throughput discovery of chemical structure-polarity relationships combining automation and machine learning techniques
π BilingualPublished: Dec 8, 2022
63. High-throughput automated platform for thin layer chromatography analysis
π BilingualPublished: Dec 2022
62. Thermodynamic analysis of a novel multi-target temperature transcritical CO2 ejector-expansion refrigeration cycle with vapor-injection
π BilingualPublished: Nov 15, 2022
61. Thermodynamic analysis of the effect of internal heat exchanger on the dual-ejector transcritical CO2 cycle for low-temperature refrigeration
π BilingualPublished: May 4, 2022
60. Research Progress on the Synthesis of Arylstannanes
Published: Apr 30, 2022
59. Transition Metal Free Stannylation of Alkyl Halides: the Rapid Synthesis of Alkyltrimethylstannanes
π BilingualPublished: Mar 8, 2022
57. Electrocatalytic Oxidative Hydrofunctionalization Reactions of Alkenes via Co(II/III/IV) Cycle
π BilingualPublished: Jan 27, 2022
Show earlier papers (2021 and before, 55 in total)
2021 (4)
55. Research Progress on the Mechanism of the SuzukiβMiyaura Coupling Reaction
Published: Jun 2, 2021
54. Recent Development of Aryl Diazonium Chemistry for the Derivatization of Aromatic Compounds
π BilingualPublished: Apr 9, 2021
53. Transition metal- and photo-free radical borylation of alkyl bromides and iodides by silane
π BilingualPublished: Apr 2021
52. Photo-induced radical borylation of hemiacetals via CβC bond cleavage
π BilingualPublished: Jan 29, 2021
2020 (5)
51. Anodic Oxidation Triggered Divergent 1,2- and 1,4-Group Transfer Reactions of Ξ²-Hydroxycarboxylic Acids Enabled by Electrochemical Regulation
π BilingualPublished: Sep 2020
50. Organoboration Reactions Based on Radical Mechanisms
Published: Aug 1, 2020
49. Discussion Addendum for: Synthesis of Arylboronic Pinacol Esters from Corresponding Arylamines
π BilingualPublished: Aug 2020
48. Carboxylation of Alkenyl Boronic Acids and Alkenyl Boronic Acid Pinacol Esters with CO2 Catalyzed by Cuprous Halide
π BilingualPublished: May 12, 2020
47. Electrocatalytic Oxidative Transformation of Organic Acids for CarbonβHeteroatom and SulfurβHeteroatom Bond Formation
π BilingualPublished: Feb 21, 2020
2019 (8)
46. Modification of TiO2 Nanoparticles with Organodiboron Molecules Inducing Stable Surface Ti3+ Complex
π BilingualPublished: Oct 25, 2019
44. Energy Level Modulation in Diboron Modified SnO2 for High Efficiency Perovskite Solar Cells
π BilingualPublished: Aug 15, 2019
43. Zn+-O- dual-spin surface states formation by modification of ZnO nanoparticles with diboron compounds
π BilingualPublished: Aug 14, 2019
42. Transition-Metal-Free Borylation of Alkyl Iodides via a Radical Mechanism
π BilingualPublished: Jun 25, 2019
40. Mn-Mediated Electrochemical Trifluoromethylation/C(sp2)βH Functionalization Cascade for the Synthesis of Azaheterocycles
π BilingualPublished: Jan 23, 2019
2018 (7)
38. Diboron-Assisted Interfacial Defect Control Strategy for Highly Efficient Planar Perovskite Solar Cells
π BilingualPublished: Oct 8, 2018
36. Oxidant-free oxidation of CβH bond by cathodic hydrogen evolution: a phosphonic Kolbe oxidation/cyclization process
π BilingualPublished: Jul 2018
35. Addition of Diazo Compounds ipso-C-H bond to Carbon Disulfide: Synthesis of 1,2,3-Thiadiazoles Under Mild Conditions
π BilingualPublished: Mar 19, 2018
34. Oxidant-Free C(sp2)βH Functionalization/CβO Bond Formation: A Kolbe Oxidative Cyclization Process
π BilingualPublished: Feb 23, 2018
33. Renaissance of Sandmeyer-Type Reactions: Conversion of Aromatic C-N Bonds into C-X Bonds (X = B, Sn, P, CF3)
π BilingualPublished: Jan 25, 2018
32. Cu(I)-Catalyzed Asymmetric Cross-Coupling of N-Tosylhydrazones and Trialkylsilylethynes: Enantioselective Construction of C(sp)-C(sp3) Bonds
π BilingualPublished: Jan 2018
2017 (2)
31. Direct Carboxylation of the Diazo Group ipso-C(sp2)βH bond with Carbon Dioxide: Access to Unsymmetrical Diazomalonates and Derivatives
π BilingualPublished: Dec 6, 2017
30. Chapter Two - Recent Advances in Transition-Metal-Catalyzed Cross-Coupling Reactions With N-Tosylhydrazones
π BilingualPublished: 2017
2016 (3)
29. Rhodium(I)-Catalyzed CβC Bond Activation of Siloxyvinylcyclopropanes with Diazoesters
π BilingualPublished: Nov 9, 2016
28. Metal-Free Aromatic CarbonβPhosphorus Bond Formation via a Sandmeyer-Type Reaction
π BilingualPublished: Nov 7, 2016
27. Enantioselective Synthesis of Trisubstituted Allenes via Cu(I)-Catalyzed Coupling of Diazoalkanes with Terminal Alkynes
π BilingualPublished: Nov 1, 2016
2015 (4)
26. Bi-functional Ligand-assisted Catalytic Ketone Ξ±-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies
π BilingualPublished: Dec 3, 2015
25. Synthesis, Structure, and Reactivity of Anionic sp2βsp3 Diboron Compounds: Readily Accessible Boryl Nucleophiles
π BilingualPublished: Apr 15, 2015
23. Transition metal-catalyzed ketone-directed or mediated CβH functionalization
π BilingualPublished: 2015
2014 (3)
22. Regioselective ketone Ξ±-alkylation with simple olefins via dual activation
π BilingualPublished: Jul 4, 2014
21. Synthesis of Trimethylstannyl Arylboronate Compounds by Sandmeyer-Type Transformations and Their Applications in Chemoselective Cross-Coupling Reactions
π BilingualPublished: Feb 20, 2014
20. Alcohols or Masked Alcohols as Directing Groups for CβH Bond Functionalization
π BilingualPublished: Dec 26, 2013
2013 (4)
19. Synthesis of Aryl Trimethylstannanes from Aryl Amines: A Sandmeyer-Type Stannylation Reaction
π BilingualPublished: Sep 6, 2013
18. Silver-Mediated Trifluoromethylation of Aryldiazonium Salts: Conversion of Amino Group into Trifluoromethyl Group
π BilingualPublished: Jul 9, 2013
16. Synthesis of Pinacol Arylboronates from Aromatic Amines: A Metal-Free Transformation
π BilingualPublished: Nov 6, 2012
2012 (5)
15. Synthesis of ortho-Acylphenols through the Palladium-Catalyzed Ketone-Directed Hydroxylation of Arenes
π BilingualPublished: Nov 19, 2012
13. Catalytic Functionalization of Unactivated sp3 CβH Bonds via exo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols
π BilingualPublished: Oct 5, 2012
12. Catalyst-Free Imidation of Allyl Sulfides with Chloramine-T and Subsequent [2,3]-Sigmatropic Rearrangement
π BilingualPublished: Sep 25, 2012
11. Increments for 1H and 13C NMR chemical shifts in pinacol arylboronates
π BilingualPublished: 2012
2011 (3)
10. New developments in aromatic halogenation, borylation, and cyanation
π BilingualPublished: Dec 14, 2011
9. Gold(III)-Catalyzed Direct Acetoxylation of Arenes with Iodobenzene Diacetate
π BilingualPublished: Sep 1, 2011
8. A base-free, one-pot diazotization/cross-coupling of anilines with arylboronic acids
π BilingualPublished: 2011
2010 (5)
7. Gold(III)-Catalyzed Halogenation of Aromatic Boronates with N-Halosuccinimides
π BilingualPublished: Nov 11, 2010
6. Diastereoselective addition of lithium enolate of Ξ³-substituted Ξ±-diazoacetoacetate to N-sulfinyl imines
π BilingualPublished: Sep 9, 2010
5. Gold-Catalyzed Halogenation of Aromatics by N-Halosuccinimides
π BilingualPublished: Mar 3, 2010
4. Direct Conversion of Arylamines to Pinacol Boronates: A Metal-Free Borylation Process
π BilingualPublished: Feb 22, 2010
3. Enantioselective synthesis of condensed and transannular ring skeletons containing pyrrolidine moiety
π BilingualPublished: 2010
2009 (2)
2. AuPPh3Cl/AgOTf-catalyzed reaction of terminal alkynes: nucleophilic addition to activated CO bond
π BilingualPublished: 2010
1. Highly Diastereoselective Addition of the Lithium Enolate of Ξ±-Diazoacetoacetate to N-Sulfinyl Imines: Enantioselective Synthesis of 2-Oxo and 3-Oxo Pyrrolidines
π BilingualPublished: Feb 12, 2008
Peking University Shenzhen Graduate School (15)
Solution Preparation Apparatus for Laboratory Use
Application No. 202511894016.6 Β· Filing Date 2025-12-16 Β· Publication Date 2026-01-16
Sampling Apparatus, Control Method, and Automated Production Equipment
Application No. 202511668286.5 Β· Filing Date 2025-11-14 Β· Publication Date 2025-12-16
Testing Apparatus, Control Method, and Fiber Production Equipment
Application No. 202511238817.7 Β· Filing Date 2025-09-01 Β· Publication Date 2025-11-14
Collector
Application No. 202530503769.4 Β· Filing Date 2025-08-25 Β· Publication Date 2026-04-07 Β· Grant Date 2026-04-07
Chromatograph Main Unit
Application No. 202530503768.X Β· Filing Date 2025-08-25 Β· Publication Date 2026-04-07 Β· Grant Date 2026-04-07
Method and Model for Generating Three-Dimensional Molecular Structures
Application No. 202511117932.9 Β· Filing Date 2025-08-11 Β· Publication Date 2025-11-21
Column Chromatography and Rotary Evaporation System, and Control Method, Equipment, and Medium Therefor
Application No. 202511053400.3 Β· Filing Date 2025-07-30 Β· Publication Date 2025-08-29 Β· Grant Date 2025-10-10
Chromatography Column Assembly System, and Control Method, Equipment, and Medium Therefor
Application No. 202511038383.6 Β· Filing Date 2025-07-28 Β· Publication Date 2025-08-29 Β· Grant Date 2025-09-19
Laboratory Equipment
Application No. 202521592759.3 Β· Filing Date 2025-07-28
Product Collection Device and Control Method Therefor
Application No. 202511017125.X Β· Filing Date 2025-07-23 Β· Publication Date 2026-04-07 Β· Grant Date 2026-04-07
Collection Module and Preparative Thin-Layer Chromatography Platform
Application No. 202521558470.X Β· Filing Date 2025-07-23 Β· Publication Date 2026-06-09 Β· Grant Date 2026-06-09
Preparative Thin-Layer Chromatography Platform and Control Method Therefor
Application No. 202511019452.9 Β· Filing Date 2025-07-23 Β· Publication Date 2025-09-26 Β· Grant Date 2025-09-26
Liquid Chromatograph, Component Separation Method, Storage Medium, and Product
Application No. 202510605173.4 Β· Filing Date 2025-05-12 Β· Publication Date 2025-07-08
Molecular Structure Inference Method, Electronic Device, and Computer-Readable Storage Medium
Application No. 202510546901.9 Β· Filing Date 2025-04-28 Β· Publication Date 2025-08-12 Β· Grant Date 2026-04-07
A Machine Learning-Based Method for Predicting Gas Chromatography Isomer Separation Conditions
Application No. 202410933367.2 Β· Filing Date 2024-07-12 Β· Publication Date 2026-01-13
Peking University (6)
A Machine Learning-Based Method for Column Chromatography Prediction
Application No. 202410282149.7 Β· Filing Date 2024-03-13 Β· Publication Date 2024-05-10
A Fully Automated Chromatographic Eluate Collection Device
Application No. 202410135790.8 Β· Filing Date 2024-01-31 Β· Publication Date 2025-08-01
A Fully Automated Chromatographic Eluate Collection Device
Application No. 202420240950 Β· Filing Date 2024-01-31 Β· Publication Date 2025-08-01 Β· Grant Date 2024-10-18
A Machine Learning-Based Method for Predicting Retention Factor (Rf) Values
Application No. 202111638511.2 Β· Filing Date 2021-12-29 Β· Publication Date 2022-03-11 Β· Grant Date 2025-02-18
An Automated Organic Chemistry Experimental Apparatus
Application No. 202122346010.9 Β· Filing Date 2021-09-27
Preparation and Application of Oxygen-Sensitive Semiconductor Oxide Nanomaterials
Application No. 201710122191.2 Β· Filing Date 2017-03-02 Β· Publication Date 2017-07-14 Β· Grant Date 2019-06-07
Representative awards and projects the group has received in innovation, entrepreneurship, and technology transfer.
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14th China Innovation and Entrepreneurship Competition Β· AI Digital-Intelligence Fusion Track
Awardee: Xizhi Technology (Suzhou) Co., Ltd. Β· 2025
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2025 China Innovation Method Competition Β· Guangdong Regional Contest
Participant: Peking University Shenzhen Graduate School Β· Project: ChromAI Prep preparative liquid chromatography platform based on "AI + intelligent separation system" Β· Team: Fanyang Mo, Boxuan Zhao, Xinyue Zhao, Jipeng Li Β· Issued by: Guangdong Province Association for Science and Technology Β· 2025.11
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2025 GuangdongβHong KongβMacao Greater Bay Area High-Value Intellectual Property Cultivation and Layout Competition Β· Top 300
Participants: Peking University Shenzhen Graduate School, Peking University Β· Project: ChromAI Prep preparative liquid chromatography platform based on "AI + intelligent separation system" Β· November 2025
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27th China International High-Tech Fair Β· Outstanding Scientific Research Achievement Innovation Award
Awardee: Peking University Shenzhen Graduate School Β· Project: ChromAI Prep intelligent preparative liquid chromatograph Β· November 2025