莫 帕
·荣誉奖励
2022 全国科技活动周科学普及奖
·研究兴趣
核燃料后处理，锕系元素化学，223Ra, 64Cu，多齿配体，放射性药物化学，超分子化学，有机合成
An/Ln分离配体的开发
开发用于从高放废物中能够选择性分离次锕系元素（Am， Cm等）的水溶性多齿杂环配体。目前，该方向仍然是中国以及其他国家在核燃料后处理领域共同的研究热点，目的是从高放废物中提取次锕系元素以降低高放废物的放射性毒性，尽可能地使核能利用更加安全。而我们目前正在开发的配体主要是基于四齿双三唑基-菲罗啉和双三氮杂基-四氮杂菲罗啉设计的。对于其他多齿配体，我们也有所研究，例如；三齿双三唑基-吡嗪和双三唑基-吡啶、二胺-菲罗啉、二胺-四氮杂菲罗啉以及双三唑基-三吡啶等。此外，该项目还包括一个分支——即双三唑基-菲罗啉功能化的介孔纳米硅基材料的开发以及基于三齿双三唑基-吡嗪的螯合配体。
64Cu标记的纳米药物
开发多功能上转化纳米材料，利用上转换纳米粒子的发光特性以及64Cu发射进行PET扫描来诊断和治疗三阴性乳腺癌。在对肿瘤部位进行适当的X射线照射后，该药物将以断裂二硒键的方式进行释放。
镭络合配体的开发
开发可与223Ra稳定络合的特异性配体并应用在靶向放射性治疗方面。尽管223Ra具有出色的放射治疗特性，但在目前的放射性免疫偶联物中还没有发现特别适合与223Ra络合的配体。这也就是为什么223Ra还不能用于靶向放射治疗的原因。而我们将在现有的macropa配体的基础上进行改进，让223Ra离子被牢牢地抓住以防止复合物分解。同时，这也将极大地提高macropa-镭复合物的稳定性，使其在靶向放射治疗中的应用成为可能。
·代表成果
1. The unusual (syn-/anti-) 2 conformation of a dimethoxypyrimidyl-based tennimides. Pavle Mocilac, Fabian Pohl, John F Gallagher. Acta Crystallographica Section E: Crystallographic Communications 2023, 79, 9.
2. Novel hydrophilic bistriazolyl-phenanthroline ligands with improved solubility and performance in An/Ln separations. Yong Qiang Wan, Huaixin Hao, Lu Yu, Zhi Peng Wang. Pavle Mocilac. RSC Advances 2023, 13, 32, 21982-21990.
3. Efficient removal of Se-79 from highly acidic solution using SiO2 particles functionalised with iron hydroxide. Juan Tong, Junqiang Yang, Linlin Zhang, Tonghuan Liu, Chenyang Peng, Xufeng Ni, Tianhao Dong, Pavle Mocilac, Keliang Shi, Xiaolin Hou. Chemical Engineering Journal 2022, 446, 4, 137387.
4. Probing the Electronic Properties and Interaction Landscapes in a Series of N-(Chlorophenyl)pyridinecarboxamides. John F Gallagher, Niall Hehir, Pavle Mocilac, Chloé Violin, Brendan F O’connor, Emmanuel Aubert, Enrique Espinosa, Benoît Guillot, Christian Jelsch. Crystal Growth & Design 2022, 22, 5, 3343-3358.
5. Enhanced removal of radioactive iodine anions from wastewater using modified bentonite: Experimental and theoretical study. Junqiang Yang, Keliang Shi, Fei Wu, Juan Tong, Yin Su, Tonghuan Liu, Jiangang He, Pavle Mocilac, Xiaolin Hou, Wangsuo Wu, Weiqun Shi. Chemosphere 2022, 292, 133401.
6. Efficient UO22+ extraction by DAPhens with asymmetric terminal groups: The molecular design, spectral titration, liquid-liquid extraction and mechanism study. Haolong Wang, Tengfei Cui, Jixue Sui, Pavle Mocilac, Yin Wang, Zhijun Guo. Separation and Purification Technology 2022, 282(A), 120046.
7. Technetium-99 decontamination from radioactive wastewater by modified bentonite: batch, column experiment and mechanism investigation. Junqiang Yang, Keliang Shi, Fei Wu, Juan Tong, Yin Su, Tonghuan Liu, Jiangang He, Pavle Mocilac, Xiaolin Hou, Wangsuo Wu, Weiqun Shi. Chemical Engineering Journal 2022, 428, 131333.
8. Pockets and Channels in Tennimide solvate structures: influence of solvent on crystal packing behaviour. John F. Gallagher, Pavle Mocilac. Journal of Molecular Structure 2021, 1234, 130149.
9. At the interface of isomorphous behaviour in a 3x3 isomer grid of mono-chlorobenzamides: Analyses of the interaction landscapes via contact enrichment studies. John F. Gallagher, Mark Farrell, Niall Hehir, Pavle Mocilac, Emmanuel Aubert, Enrique Espinosa, Benoit Guillot, Christian Jelsch. Crystal Growth & Design 2019, 19, 11, 6141-6158.
10. Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: Is there a link between poor carbamate crystal growth and Z'> 1? Pavle Mocilac and John F. Gallagher. CrystEngComm 2019, 21, 4048-4062.
11. Aggregation in isomeric imides: analysis of the weak interactions in six N-(benzoyl)-N-(2-pyridyl)benzamides. Pavle Mocilac, Mark Farrell, Alan J. Lough, Christian Jelsch and John F. Gallagher. Structural Chemistry 2018, 29, 4, 1153-1164.
12. Transport of Nucleoside Triphosphates into Cells by Artificial Molecular Transporters. Zbigniew Zawada, Ameneh Tatar, Pavle Mocilac, Miloš Buděšínský, Tomáš Kraus. Angewandte Chemie Int. Ed. 2018, 57, 31, 9891-9895.
13. Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro (pyridyl) benzamide Dihydrate. Pavle Mocilac, John F. Gallagher, Christian Jelsch. Croat. Chem. Acta, 2018, 91, 2.
14. Hydrophilic 2,9-bis-triazolyl-1,10-phenanthroline ligands enable selective Am(III) separation: a step further towards sustainable nuclear energy. Alyn C. Edwards, Pavle Mocilac, Andreas Geist, Laurence M. Harwood, Clint A. Sharrad, Neil A. Burton, Roger C. Whitehead and Melissa A. Denecke. Chemical Communication 2017, 53, 5001-5004.
15. Structural systematics and conformational analyses of an isomer grid of nine tolyl-N-pyridinylcarbamates. Pavle Mocilac and John F. Gallagher. Structural Chemistry 2016, 28, 697-708.
16. Short C-H…F interactions involving the 2,5-difluorobenzene group: Understanding the role of fluorine in aggregation and complex C-F/C-H disorder in a 2 x 6 isomer grid. Pavle Mocilac, Islam Ali Osman and John F Gallagher. CrystEngComm 2016, 18, 5764-5776.
17. Halogenated tennimides and trezimides: Impact of halogen bonding and solvent role on porous network formation and inclusion. Pavle Mocilac and John F. Gallagher. CrystEngComm 2016, 18, 2375-2384.
18. Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines. Niall T. Coogan, Michael A. Chimes, James Raftery, Pavle Mocilac and Melissa A. Denecke. Journal of Organic Chemistry 2015, 80, 17, 8684-8693.
19. Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromophenyl N-(pyridin-3-yl)carbamate monohydrates. Pavle Mocilac and John F. Gallagher. Acta Crystallographica Section E 2015, E71 , 11, 1366-1370.
20. Halogen bonding in Bromo-substituted Trezimides and Tennimides. Pavle Mocilac and John F. Gallagher. CrystEngComm 2014, 16, 10, 1893-1903.
21. The First Phenyl-N-pyridinylcarbamate structures: Structural and Conformational Analyses of nine Methoxyphenyl-N-pyridinylcarbamates. Pavle Mocilac and John F. Gallagher. Crystal Growth & Design 2013, 13, 12, 5295-5304.
22. Trezimides and Tennimides: New Imide-Based Macrocycles. Pavle Mocilac and John F. Gallagher. Journal of Organic Chemistry 2013, 78, 6, 2355-2361.
23. Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate. Pavle Mocilac and John F. Gallagher. Acta Crystallographica Section B 2013, B69, 62-69.
24. Structural systematics studies and conformational analyses of an isomer grid of nine fluoro-N-(pyridyl) benzamides; comparison of physico-chemical properties between four isomer grids (including thermal behaviour). Pavle Mocilac, Katie Donnelly and John F. Gallagher. Acta Crystallographica Section B 2012, B68, 189-203.
25. Structural systematics and conformational analyses of a 3 × 3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives. Pavle Mocilac and John F. Gallagher. CrystEngComm 2011, 13, 17, 5354-5366.
26. Structures and conformational analysis of a 3 × 3 isomer grid of nine N-(fluorophenyl) pyridinecarboxamides. Pavle Mocilac, Alan J. Lough and John F. Gallagher. CrystEngComm 2011, 13, 6, 1899-1909.
27. Synthesis, structural and conformational analysis of a 3 × 3 isomer grid based on nine methyl-N-(pyridyl)benzamides. Pavle Mocilac, Mark Tallon, Alan J. Lough and John F. Gallagher. CrystEngComm 2010, 12, 10, 3080-3090.
