biostudies-literatureLiang JThe national natural science foundation of chinaHubei province department of educatione2500357122https://www.ebi.ac.uk/biostudies/studies/S-EPMC12088403biostudies-literatureUnknown122(19)Regulating multistimulus responses in artificial systems remains a challenge in smart material development. We present a versatile chemical switching system that precisely controls the self-assembly of metal-organic cages via temperature and solvent changes. The key component, cyclo[2](1,3-(4,6-dimethyl)benzene) (4-pyridine)[6](1,3-(4,6-dimethyl)benzene) (<b>CP2</b>), was generated as three atropisomers (<b>1</b>, <b>2</b>, and <b>3</b>) with <i>C</i>_s, <i>C</i>₁, and <i>C</i>_2v symmetries. Thermally, metastable isomers (<b>1</b> and <b>2</b>) convert into the stable isomer (<b>3</b>), which reacts with Pd²⁺ to form specific molecular cages. Depending on the solvent, either rectangular M₂L₂ cages (<b>5'</b> and <b>5</b>) forProceedings of the National Academy of Sciences of the United States of AmericaSynergistic regulation of metal-organic cage architectures via temperature- and solvent-driven atropisomerism.PMC1208840392156009Q20222506Yang YDBi QNGuan AJCui JLi QHao XWang HLiang TLLi XGong HYLi ZALiang JPeng LJZhu KLChen XLfalseSynergistic regulation of metal-organic cage architectures via temperature- and solvent-driven atropisomerism.Regulating multistimulus responses in artificial systems remains a challenge in smart material development. We present a versatile chemical switching system that precisely controls the self-assembly of metal-organic cages via temperature and solvent changes. The key component, cyclo[2](1,3-(4,6-dimethyl)benzene) (4-pyridine)[6](1,3-(4,6-dimethyl)benzene) (<b>CP2</b>), was generated as three atropisomers (<b>1</b>, <b>2</b>, and <b>3</b>) with <i>C</i>_s, <i>C</i>₁, and <i>C</i>_2v symmetries. Thermally, metastable isomers (<b>1</b> and <b>2</b>) convert into the stable isomer (<b>3</b>), which reacts with Pd²⁺ to form specific molecular cages. Depending on the solvent, either rectangular M₂L₂ cages (<b>5'</b> and <b>5</b>) for2025-01-01T00:00:00Z2025 May2026-06-05T13:53:26.562Z2026-05-17T03:12:32.461ZS-EPMC120884034033911110.1073/pnas.2500357122