{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Geue N"],"funding":["European Research Council","Deutsche Forschungsgemeinschaft","Horizon 2020 Framework Programme","University of Manchester","Hanns-Seidel-Stiftung","Biotechnology and Biological Sciences Research Council"],"pagination":["6805-6811"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11229059"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["15(26)"],"pubmed_abstract":["Carbon nanohoops are promising precursors for the synthesis of nanotubes, whose structural dynamics are not well understood. Here, we investigate the conformational landscape and energetics of cycloparaphenylenes (CPPs), a methylene-bridged CPP and a carbon nanobelt. These nanohoops can form host-guest complexes with other rings, and understanding their structure is crucial for predicting their properties and identifying potential applications. We used a combination of ion mobility, tandem mass spectrometry, and density functional theory to characterize the nanohoops and their ring-in-ring complexes, following the energetics and conformations of their disassembly from intact complexes to fragment ions. Our results show structural integrity of the nanohoops and host-guest complexes. They al"],"journal":["The journal of physical chemistry letters"],"pubmed_title":["Conformational Landscapes and Energetics of Carbon Nanohoops and their Ring-in-Ring Complexes."],"pmcid":["PMC11229059"],"funding_grant_id":["ERC-2017-ADG-786734","H2020-FETOPEN-1-2016-2017-801406","786734","801406","BB/X002403/1","182849149"],"pubmed_authors":["Freiberger M","Geue N","Barran PE","Gorling A","Drewello T","Fruhwald S"],"additional_accession":[]},"is_claimable":false,"name":"Conformational Landscapes and Energetics of Carbon Nanohoops and their Ring-in-Ring Complexes.","description":"Carbon nanohoops are promising precursors for the synthesis of nanotubes, whose structural dynamics are not well understood. Here, we investigate the conformational landscape and energetics of cycloparaphenylenes (CPPs), a methylene-bridged CPP and a carbon nanobelt. These nanohoops can form host-guest complexes with other rings, and understanding their structure is crucial for predicting their properties and identifying potential applications. We used a combination of ion mobility, tandem mass spectrometry, and density functional theory to characterize the nanohoops and their ring-in-ring complexes, following the energetics and conformations of their disassembly from intact complexes to fragment ions. Our results show structural integrity of the nanohoops and host-guest complexes. They al","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Jul","modification":"2025-04-04T11:24:43.689Z","creation":"2025-04-04T11:24:43.689Z"},"accession":"S-EPMC11229059","cross_references":{"pubmed":["38913548"],"doi":["10.1021/acs.jpclett.4c01270"]}}