Binding and release of Sulfide and Hydrosulfide Anions in Water by Bambusuril Macrocycles Julián Vázquez and Vladimir Šindelář Department of Chemistry and RECETOX, Masaryk University, Kamenice 5, 625 00, Brno, Czech Republic Email: sindelar@chemi.muni.cz Abstract Hydrogen sulfide (H2S) has become an important target for research due to its physiological properties and potential applications in medicine.1-3 Many synthetic molecules have been reported as exogenous H2S sources, which rely on chemical reactions for the delivery of the H2S.4-6 Bambusurils (BU) are a family of host macrocycles that bind inorganic and organic anions with high affinity and selectivity in both organic and aqueous media.7-9 In this work, supramolecular binding of sulfide (S2) and hydrosulfide (HS) anions by a synthetic receptor in water have been studied for the first time. Bambusuril macrocycles (BU) were used to stabilize these anions in its cavity following by their release into water.10 Figure 1. Energy-optimized geometry of the Bambusuril complex with sulfide anion. Acknowledgments This work was supported by the Czech Science Foundation (18-21801S) and by the RECETOX Research Infrastructure (LM2015051 and CZ.02.1.01/0.0/0.0/16_013/0001761). References [1] R. Wang, FASEB J., 2002, 16, 1792-1798; [2] G. Yang, K. Cao, L. Wu, R. Wang, J. Biol. Chem, 2004, 279, 49199-49205; [3] Z. W. Lee, J. Zhou, C.-S. Chen, Y. Zhao, C.-H. Tan, L. Li, P. K. Moore, L.-W. Deng, PloS one, 2011, 6, e21077; [4] E. Perrino, C. Uliva, C. Lanzi, P. D. Soldato, E. Masini, A. Sparatore, Bioorg. Med. Chem. Lett., 2009, 19, 1639-1642; [5] N. O. Devarie-Baez, P. E. Bagdon, B. Peng, Y. Zhao, C.-M. Park, M. Xian, Org. Lett., 2013, 15, 2786-2789; [6] Y. Zhao, T. D. Biggs, M. Xian, Chem. Commun., 2014, 50, 11788-11805; [7] J. Svec, M. Necas, V. Sindelar, Angew. Chem. Int. Ed., 2010, 49, 2378-2381; [8] M. A. Yawer, V. Havel, V. Sindelar, Angew. Chem. Int. Ed., 2015, 54, 276-279; [9] T. Lizal, V. Sindelar, Isr. J. Chem., 2018, 58, 326-333; [10] J. Vazquez and V. Sindelar, Chem. Commun., 2018, 54, 5859-5862.