MOLECULAR SIMULATION TECHNIQUE ON POLYMERIC MATERIALS*

Chao Ma ,  Cong Lin ,  Jian Li . MicroED as a powerful technique for the structure determination of complex porous materials. Chinese Journal of Structural Chemistry, 2024, 43(3): 100209-100209. doi: 10.1016/j.cjsc.2023.100209

Jinqi Yang , Xiaoxiang Hu , Yuanyuan Zhang , Lingyu Zhao , Chunlin Yue , Yuan Cao , Yangyang Zhang , Zhenwen Zhao . Direct observation of natural products bound to protein based on UHPLC-ESI-MS combined with molecular dynamics simulation. Chinese Chemical Letters, 2025, 36(5): 110128-. doi: 10.1016/j.cclet.2024.110128

Shiyang Sun , Ning Yang , Yaqiu Mao , Ting Wei , Pengli Wei , Tingting Yang , Yixin Zhang , Jian Yan , Changkai Jia , Yi Li , Xu Cai , Zhiyuan Zhao , Xuesong Feng , Xiaomei Zhuang , Wenpeng Zhang , Junhai Xiao , Pengyun Li , Zhibing Zheng , Song Li . Rational design of VHL-recruiting KRAS^G12C proteolysis-targeting chimeras based on molecular dynamics simulation. Chinese Chemical Letters, 2026, 37(2): 110992-. doi: 10.1016/j.cclet.2025.110992

Yajie Yang , Mengde Zhai , Haoxin Wang , Cheng Chen , Ziyang Xia , Chengyang Liu , Yi Tian , Ming Cheng . Molecular engineering of dibenzo-heterocyclic core based hole-transporting materials for perovskite solar cells. Chinese Chemical Letters, 2025, 36(5): 110700-. doi: 10.1016/j.cclet.2024.110700

Ruike Hu , Kangmin Wang , Junxiang Liu , Jingxian Zhang , Guoliang Yang , Liqiu Wan , Bijin Li . Extended π-conjugated systems by external ligand-assisted C−H olefination of heterocycles: Facile access to single-molecular white-light-emitting and NIR fluorescence materials. Chinese Chemical Letters, 2025, 36(4): 110113-. doi: 10.1016/j.cclet.2024.110113

Junqing Wu , Yiyang Zhang , Qingqing Hong , Hui Yang , Lifeng Zhang , Ming Zhang , Lei Yu . Organometallic modification of silica with europium endowing the fluorescence properties: The key technique for numerical quality monitoring. Chinese Chemical Letters, 2025, 36(4): 110165-. doi: 10.1016/j.cclet.2024.110165

Sijia Zhou , Tianyi Zhou , Yuhua Hou , Wang Li , Yanfei Shen , Songqin Liu , Kaiqing Wu , Yuanjian Zhang . Recent advances in electrochemiluminescence based on polymeric luminophores. Chinese Chemical Letters, 2025, 36(5): 110284-. doi: 10.1016/j.cclet.2024.110284

Huimin Gao ,  Zhuochen Yu ,  Xuze Zhang ,  Xiangkun Yu ,  Jiyuan Xing ,  Youliang Zhu ,  Hu-Jun Qian ,  Zhong-Yuan Lu . A mini review of the recent progress in coarse-grained simulation of polymer systems. Chinese Journal of Structural Chemistry, 2024, 43(5): 100266-100266. doi: 10.1016/j.cjsc.2024.100266

Haozhi Lei , Qian Xia , Xiqiu Wang , Yang Sun , Weihong Tan . Simulation of immune signal transduction through DNA strand displacement. Chinese Chemical Letters, 2025, 36(12): 110941-. doi: 10.1016/j.cclet.2025.110941

Fang-Yuan Chen , Wen-Chao Geng , Kang Cai , Dong-Sheng Guo . Molecular recognition of cyclophanes in water. Chinese Chemical Letters, 2024, 35(5): 109161-. doi: 10.1016/j.cclet.2023.109161

Yue Pan , Wenping Si , Yahao Li , Haotian Tan , Ji Liang , Feng Hou . Promoting exciton dissociation by metal ion modification in polymeric carbon nitride for photocatalysis. Chinese Chemical Letters, 2024, 35(12): 109877-. doi: 10.1016/j.cclet.2024.109877

Hongyi Li , Huiyun Wen , He Zhang , Jin Li , Xiang Cao , Jiaqing Zhang , Yutao Zheng , Saipeng Huang , Weiming Xue , Xiaojun Cai . Polymeric micelle-hydrogel composites design for biomedical applications. Chinese Chemical Letters, 2025, 36(5): 110072-. doi: 10.1016/j.cclet.2024.110072

Shiyu Hou , Maolin Sun , Liming Cao , Chaoming Liang , Jiaxin Yang , Xinggui Zhou , Jinxing Ye , Ruihua Cheng . Computational fluid dynamics simulation and experimental study on mixing performance of a three-dimensional circular cyclone-type microreactor. Chinese Chemical Letters, 2024, 35(4): 108761-. doi: 10.1016/j.cclet.2023.108761

Sanmei Wang , Yong Zhou , Hengxin Fang , Chunyang Nie , Chang Q Sun , Biao Wang . Constant-potential simulation of electrocatalytic N₂ reduction over atomic metal-N-graphene catalysts. Chinese Chemical Letters, 2025, 36(3): 110476-. doi: 10.1016/j.cclet.2024.110476

Gaowa Xing , Yuxuan Li , Hongren Yao , Qiang Zhang , Zengnan Wu , Caihou Lin , Jin-Ming Lin . Tryptophan accumulation and inflammation of glioblastoma cells in a multicomponent microchip for gut-brain-axis simulation. Chinese Chemical Letters, 2025, 36(12): 111035-. doi: 10.1016/j.cclet.2025.111035

Zi-Jian Zhou ,  Xin-Ping Wu . Level-shifted embedded cluster method may offer a viable alternative for the simulation of metal oxides. Chinese Journal of Structural Chemistry, 2025, 44(5): 100471-100471. doi: 10.1016/j.cjsc.2024.100471

Jing Guo , Chunhui Luo , Peng Li , Mao Ye , Zhihua Qiao , Yubo Wu , Huiqin Hu , Xubiao Luo , Liming Yang , Yulin Cai , Pengwei Li , Kai Zhu , Cheng Fu , Bing Yu , Yueying Chen , Shichang Wang , Ting Wang , Chongchong Qi , Zirou Liu , Dongmei Huang , Zengxi Wei , Fangxin Mao , Yi Wei , Caining Wen , Chao Han , Bo Weng , Han Feng , Junming Hong , Jing Wu , Yu Xiao , Guang Liu , Linlin Song , Rongzheng Ren , Zhenhua Wang , Long Kong , Huaifang Shang , Lihua Wang , Yongzhi Chen , Changjie Ou , Huijun Yang , Xiaoyu Liu , Jin Yi , Siwu Li , Chuang Yu , Yanhui Cao , Zhong Wu , Yida Deng , Wenbin Hu , Jianjian Zhong , Xiong Zhang , Yanwei Ma , Jianmin Ma . Roadmap on sustainable materials and technologies. Chinese Chemical Letters, 2026, 37(2): 112116-. doi: 10.1016/j.cclet.2025.112116

Ziruo Zhou ,  Wenyu Guo ,  Tingyu Yang ,  Dandan Zheng ,  Yuanxing Fang ,  Xiahui Lin ,  Yidong Hou ,  Guigang Zhang ,  Sibo Wang . Defect and nanostructure engineering of polymeric carbon nitride for visible-light-driven CO2 reduction. Chinese Journal of Structural Chemistry, 2024, 43(3): 100245-100245. doi: 10.1016/j.cjsc.2024.100245

Yiran Tao , Chunlei Dai , Zhaoxiang Xie , Xinru You , Kaiwen Li , Jun Wu , Hai Huang . Redox responsive polymeric nanoparticles enhance the efficacy of cyclin dependent kinase 7 inhibitor for enhanced treatment of prostate cancer. Chinese Chemical Letters, 2024, 35(8): 109170-. doi: 10.1016/j.cclet.2023.109170

Yu Qin , Mingyang Huang , Chenlu Huang , Hannah L. Perry , Linhua Zhang , Dunwan Zhu . O₂-generating multifunctional polymeric micelles for highly efficient and selective photodynamic-photothermal therapy in melanoma. Chinese Chemical Letters, 2024, 35(7): 109171-. doi: 10.1016/j.cclet.2023.109171