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Here, we have successfully designed and synthesized a pair of water\u2010soluble cationic cages employing click reaction as the fundamental step followed by the <jats:italic>N<\/jats:italic>\u2010methylation of the triazole rings. The rigid and shape\u2010persistent 3D hydrophobic cavity, positively charged surface, H\u2010bonding triazolium rings, and excellent water solubility empower both cages to exhibit a superior affinity and selectivity for binding with adenosine\u20105\u2019\u2010triphosphate (ATP) compared to cyclophanes and other macrocyclic receptors. Both cage molecules (<jats:bold>PCC\u22c5Cl<\/jats:bold> and <jats:bold>BCC\u22c5Cl<\/jats:bold>) can bind a highly emissive dye HPTS (8\u2010hydroxypyrene\u20101,3,6\u2010trisulfonic acid trisodium salt) to form non\u2010fluorescent complexes. The addition of ATP resulted in the stronger cage\u2282ATP complexes with the retention of HPTS emission upon its displacement. The resultant indicator\u2010displacement assay system can efficiently sense and quantify ATP in nanomolar detection limits in buffer solutions and human serum matrix. Spectroscopic and theoretical studies revealed the synergistic effect of \u03c0\u22c5\u22c5\u22c5\u03c0 stacking interaction between the aromatic moiety of the cationic cages and the adenine moiety of ATP, as well as the electrostatic and hydrogen bonding interaction between the phosphate anion of ATP and triazole protons of cages, played the pivotal roles in the sensing process.<\/jats:p>","DOI":"10.1002\/chem.202303596","type":"journal-article","created":{"date-parts":[[2023,12,22]],"date-time":"2023-12-22T10:55:58Z","timestamp":1703242558000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":23,"title":["Water\u2010Soluble Triazolium Covalent Cages for ATP Sensing"],"prefix":"10.1002","volume":"30","author":[{"given":"Suman","family":"Maji","sequence":"first","affiliation":[{"name":"Organic and Medicinal Chemistry Division CSIR-Indian Institute of Chemical Biology  4 Raja S C Mullick Road Kolkata 700032 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