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RESEARCH PAPER · Chemistry of Materials · 2021

Design and Synthesis of Novel Oxime Ester Photoinitiators Augmented by Automated Machine Learning

Won Jung Lee, H. Shaun Kwak, Deuk-rak Lee, Chunrim Oh, Eul Kgun Yum, Yuling An, Mathew David Halls, Chi‐Wan Lee

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Design and Synthesis of Novel Oxime Ester Photoinitiators Augmented by Automated Machine LearningOriginalEffects of the number and position of methoxy substituents on triphenylamine-based chalcone visible-light-absorbing photoinitiators185,12‐Dialkyl‐5,12‐dihydroindolo[3,2‐a]carbazole‐Based Oxime‐Esters for LED Photoinitiating Systems and Application on 3D Printing31Photobleachable bis-chalcones-based oxime ester dyes for radical visible photopolymerization33An anthraquinone-based oxime ester as a visible-light photoinitiator for 3D photoprinting applications32Carbazole-fused coumarin based oxime esters (OXEs): efficient photoinitiators for sunlight driven free radical photopolymerization46Multibranched triarylamine end-capped oxime esters as visible-light absorbing type I photoinitiators for free radical photopolymerization14Visible-light-mediated synthesis of oxime esters via multicomponent reactions of aldehydes, aryl amines, and N -hydroxyphthalimide esters14The future of visible light photoinitiators of polymerization for photocrosslinking applications45Recent Advances on Furan-Based Visible Light Photoinitiators of Polymerization19Photoinitiation behavior of phenothiazines containing two oxime ester functionalities (OXEs) in free radical photopolymerization and 3D printing application24Recent Advances on Quinoxaline-Based Photoinitiators of Polymerization8Predicting photoresist sensitivity using machine learning9Recent advances on phenothiazine-based oxime esters as visible light photoinitiators of polymerization20High Photoinitiating Efficiency of Benzothioxanthene‐Based Oxime Esters in Photopolymerization via Photocleavage and/or Single Electron Transfer under Visible Light and Sunlight6High Photoinitiating Efficiency of Benzothioxanthene‐Based Oxime Esters in Photopolymerization via Photocleavage and/or Single Electron Transfer under Visible Light and Sunlight33Computational screening combined with well-tempered metadynamics simulations identifies potential TMPRSS2 inhibitors21Machine learning-based design of pincer catalysts for polymerization reaction7Lithium tert -butoxide-mediated efficient transesterification of N -hydroxyphthalimide esters toward oxime functionalization1Advancing efficiency in deep-blue OLEDs: Exploring a machine learning–driven multiresonance TADF molecular design35Homolytic Photocleavage of the B–N Bond in N-Heterocyclic Carbene Borane Scaffolds: Towards Efficient Type I Photoinitiators1Synthesis and Structural Characterization of Ferrocenyl Carboxylate Containing Benzaldoxime Moieties and Preliminary Cytotoxicity against Cancer Cell Lines02D-QSAR-DFT assisted design of unimolecular coumarin oxime ester photoinitiators with terminal fluorobenzene moieties for radical polymerization0Novel Non‐Cytotoxic Acylphosphinates and Acylphosphine Oxides Photoinitiators0Novel Non‐Cytotoxic Acylphosphinates and Acylphosphine Oxides Photoinitiators0Benzothiazole-based oxime esters for acrylate photopolymerization: Reaction mechanisms, molecular modeling and kinetics0

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  1. Effects of the number and position of methoxy substituents on triphenylamine-based chalcone visible-light-absorbing photoinitiators

    Polymer Chemistry · 2022-01-01

    Shih-Chieh Yen, Zhong‐Han Lee, Jen‐Shyang Ni, Ching‐Chin Chen, Yung‐Chung Chen

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  2. 5,12‐Dialkyl‐5,12‐dihydroindolo[3,2‐a]carbazole‐Based Oxime‐Esters for LED Photoinitiating Systems and Application on 3D Printing

    Macromolecular Materials and Engineering · 2022-04-07

    Fatima Hammoud, Nicolas Giacoletto, Malek Nechab, Bernadette Graff, Akram Hijazi, Frédéric Dumur, Jacques Lalevée

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  3. Photobleachable bis-chalcones-based oxime ester dyes for radical visible photopolymerization

    Dyes and Pigments · 2022-07-06

    Xiang Jun Wu, Shang Qing Gong, Zihao Chen, Jing Hou, Qiuyan Liao, Ying Xiong, Zhen Li, Hongding Tang

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  4. An anthraquinone-based oxime ester as a visible-light photoinitiator for 3D photoprinting applications

    Polymer Chemistry · 2023-01-01

    Christine Elian, Nil Sanosa, Nicolas Bogliotti, Christian Herrero, Diego Sampedro, Davy‐Louis Versace

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  5. Carbazole-fused coumarin based oxime esters (OXEs): efficient photoinitiators for sunlight driven free radical photopolymerization

    Green Chemistry · 2023-01-01

    Yijun Zhang, Zheng Liu, Timur Borjigin, Bernadette Graff, Fabrice Morlet‐Savary, Michael Schmitt, Didier Gigmès, Frédéric Dumur, Jacques Lalevée

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  6. Multibranched triarylamine end-capped oxime esters as visible-light absorbing type I photoinitiators for free radical photopolymerization

    Polymer Chemistry · 2023-01-01

    Yuhao Wu, Adel Noon, Fatima Hammoud, Tayssir Hamieh, Joumana Toufaily, Bernadette Graff, Jacques Lalevée, Yung‐Chung Chen

    Read original paper ↗ ·

  7. Visible-light-mediated synthesis of oxime esters via multicomponent reactions of aldehydes, aryl amines, and N -hydroxyphthalimide esters

    RSC Advances · 2023-01-01

    Anh Thu Nguyen, Hee‐Kwon Kim

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  8. The future of visible light photoinitiators of polymerization for photocrosslinking applications

    European Polymer Journal · 2023-02-11

    Frédéric Dumur

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  9. Recent Advances on Furan-Based Visible Light Photoinitiators of Polymerization

    Catalysts · 2023-02-28

    Frédéric Dumur

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  10. Photoinitiation behavior of phenothiazines containing two oxime ester functionalities (OXEs) in free radical photopolymerization and 3D printing application

    Dyes and Pigments · 2023-03-09

    Yijun Zhang, Fabrice Morlet‐Savary, Michael Schmitt, Bernadette Graff, Alexandre Rico, Malika Ibrahim‐Ouali, Frédéric Dumur, Jacques Lalevée

    Read original paper ↗ ·

  11. Recent Advances on Quinoxaline-Based Photoinitiators of Polymerization

    Catalysts · 2023-04-10

    Frédéric Dumur

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  12. Predicting photoresist sensitivity using machine learning

    Bulletin of the Korean Chemical Society · 2023-08-23

    BALAJI GAUTAM GHULE, Min-Kyeong Kim, Ji‐Hyun Jang

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  13. Recent advances on phenothiazine-based oxime esters as visible light photoinitiators of polymerization

    European Polymer Journal · 2023-11-17

    Frédéric Dumur

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  14. High Photoinitiating Efficiency of Benzothioxanthene‐Based Oxime Esters in Photopolymerization via Photocleavage and/or Single Electron Transfer under Visible Light and Sunlight

    Angewandte Chemie · 2024-06-15

    Yijun Zhang, Bin Song, Zheng Liu, Adel Noon, Céline Dietlin, Fabrice Morlet‐Savary, Michael Schmitt, Didier Gigmès, Frédéric Dumur, Jacques Lalevée

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  15. High Photoinitiating Efficiency of Benzothioxanthene‐Based Oxime Esters in Photopolymerization via Photocleavage and/or Single Electron Transfer under Visible Light and Sunlight

    Angewandte Chemie International Edition · 2024-06-15

    Yijun Zhang, Bin Song, Zheng Liu, Adel Noon, Céline Dietlin, Fabrice Morlet‐Savary, Michael Schmitt, Didier Gigmès, Frédéric Dumur, Jacques Lalevée

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  16. Computational screening combined with well-tempered metadynamics simulations identifies potential TMPRSS2 inhibitors

    Scientific Reports · 2024-07-13

    Chelankara Suresh Sharanya, D. Sasikala Wilbee, Shijulal Nelson Sathi, Kathiresan Natarajan

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  17. Machine learning-based design of pincer catalysts for polymerization reaction

    Journal of Catalysis · 2024-09-19

    Shrabani Dinda, Tanvi Bhola, Suyash Pant, Anand R. Chandrasekaran, Alex K. Chew, Mathew David Halls, Madhavi Sastry

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  18. Lithium tert -butoxide-mediated efficient transesterification of N -hydroxyphthalimide esters toward oxime functionalization

    Organic & Biomolecular Chemistry · 2025-01-01

    Jiangfei Chen, Yi-Lin Qu, Hongyan Hao, Cheng Yao, Yurou Wang, Dayun Huang, Chenshu Dai, Sheng‐Rong Guo

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  19. Advancing efficiency in deep-blue OLEDs: Exploring a machine learning–driven multiresonance TADF molecular design

    Science Advances · 2025-01-22

    Hyung Suk Kim, Hyung Jin Cheon, Sang Hoon Lee, Junho Kim, Seunghyup Yoo, Yun‐Hi Kim, Chihaya Adachi

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  20. Homolytic Photocleavage of the B–N Bond in N-Heterocyclic Carbene Borane Scaffolds: Towards Efficient Type I Photoinitiators

    Synthesis · 2025-02-17

    Jacques Lalevée, Emmanuel Lacôte, Sofia Telitel, Nicolas Blanchard, Bernadette Graff

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  21. Synthesis and Structural Characterization of Ferrocenyl Carboxylate Containing Benzaldoxime Moieties and Preliminary Cytotoxicity against Cancer Cell Lines

    Current Pharmaceutical Design · 2025-05-12

    Zhipeng Ruan, Jianping Yong, Le Li, Can‐Zhong Lu, Olagoke Zacchaeus Olatunde

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  22. 2D-QSAR-DFT assisted design of unimolecular coumarin oxime ester photoinitiators with terminal fluorobenzene moieties for radical polymerization

    Polymer · 2026-02-13

    Yongchao He, Hanzhao Kuang, Xiaoqing Liu, Hai Zheng, Yinhang Zhang, Xuan Wang, Yinghua Huang, Yinghua Huang, JinJing Tang, Feng Wang, Xudong Cui, Mingbo Yang, H. Chen, Yanhao Huang, Yanhao Huang

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  23. Novel Non‐Cytotoxic Acylphosphinates and Acylphosphine Oxides Photoinitiators

    Angewandte Chemie International Edition · 2026-05-25

    Jiansong Yin, Yijun Zhang, Bernadette Graff, Céline Dietlin, Michael Schmitt, Fabrice Morlet‐Savary, Tatiana Petithory, Laurent Pieuchot, Jing Lin Zhang, Xiaotong Peng, Yangyang Xu, Jean‐Michel Becht, Pu Xiao, Jacques Lalevée

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  24. Novel Non‐Cytotoxic Acylphosphinates and Acylphosphine Oxides Photoinitiators

    Angewandte Chemie · 2026-05-25

    Jiansong Yin, Yijun Zhang, Bernadette Graff, Céline Dietlin, Michael Schmitt, Fabrice Morlet‐Savary, Tatiana Petithory, Laurent Pieuchot, Jing Lin Zhang, Xiaotong Peng, Yangyang Xu, Jean‐Michel Becht, Pu Xiao, Jacques Lalevée

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  25. Benzothiazole-based oxime esters for acrylate photopolymerization: Reaction mechanisms, molecular modeling and kinetics

    European Polymer Journal · 2026-09-22

    Monika Dzwonkowska-Zarzycka, Alicja Balcerak, Coralie Ohl, Sławomir Wilczewski, Jacques Lalevée, Janina Kabatc

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