[{"acknowledgement":"We acknowledge funding from the European Union’s Horizon 2020 Research and Innovation Program under the European Research Council (grant agreement 820008).We also thank the Deutsche Forschungsgemeinschaft (DFG) for support through priority program SPP1807(CL489/3-2) and RESOLV Cluster of Excellence EXC2033 (project number 390677874). A.B.G. acknowledges funding from the Zuckerman STEM Leadership Program. DFT calculations were carried out using resources provided by the Wrocław Center for Networking and Supercomputing, grant 329.","volume":145,"ddc":["540"],"day":"02","doi":"10.1021/jacs.3c08666","abstract":[{"lang":"eng","text":"The architecture of self-assembled host molecules can profoundly affect the properties of the encapsulated guests. For example, a rigid cage with small windows can efficiently protect its contents from the environment; in contrast, tube-shaped, flexible hosts with large openings and an easily accessible cavity are ideally suited for catalysis. Here, we report a “Janus” nature of a Pd6L4 coordination host previously reported to exist exclusively as a tube isomer (T). We show that upon encapsulating various tetrahedrally shaped guests, T can reconfigure into a cage-shaped host (C) in quantitative yield. Extracting the guest affords empty C, which is metastable and spontaneously relaxes to T, and the T⇄C interconversion can be repeated for multiple cycles. Reversible toggling between two vastly different isomers paves the way toward controlling functional properties of coordination hosts “on demand”."}],"citation":{"mla":"Hema, Kuntrapakam, et al. “Guest Encapsulation Alters the Thermodynamic Landscape of a Coordination Host.” <i>Journal of the American Chemical Society</i>, vol. 145, no. 45, American Chemical Society, 2023, pp. 24755–64, doi:<a href=\"https://doi.org/10.1021/jacs.3c08666\">10.1021/jacs.3c08666</a>.","short":"K. Hema, A.B. Grommet, M.J. Białek, J. Wang, L. Schneider, C. Drechsler, O. Yanshyna, Y. Diskin-Posner, G.H. Clever, R. Klajn, Journal of the American Chemical Society 145 (2023) 24755–24764.","ista":"Hema K, Grommet AB, Białek MJ, Wang J, Schneider L, Drechsler C, Yanshyna O, Diskin-Posner Y, Clever GH, Klajn R. 2023. Guest encapsulation alters the thermodynamic landscape of a coordination host. Journal of the American Chemical Society. 145(45), 24755–24764.","ama":"Hema K, Grommet AB, Białek MJ, et al. Guest encapsulation alters the thermodynamic landscape of a coordination host. <i>Journal of the American Chemical Society</i>. 2023;145(45):24755-24764. doi:<a href=\"https://doi.org/10.1021/jacs.3c08666\">10.1021/jacs.3c08666</a>","apa":"Hema, K., Grommet, A. B., Białek, M. J., Wang, J., Schneider, L., Drechsler, C., … Klajn, R. (2023). Guest encapsulation alters the thermodynamic landscape of a coordination host. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.3c08666\">https://doi.org/10.1021/jacs.3c08666</a>","ieee":"K. Hema <i>et al.</i>, “Guest encapsulation alters the thermodynamic landscape of a coordination host,” <i>Journal of the American Chemical Society</i>, vol. 145, no. 45. American Chemical Society, pp. 24755–24764, 2023.","chicago":"Hema, Kuntrapakam, Angela B. Grommet, Michał J. Białek, Jinhua Wang, Laura Schneider, Christoph Drechsler, Oksana Yanshyna, Yael Diskin-Posner, Guido H. Clever, and Rafal Klajn. “Guest Encapsulation Alters the Thermodynamic Landscape of a Coordination Host.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/jacs.3c08666\">https://doi.org/10.1021/jacs.3c08666</a>."},"year":"2023","date_updated":"2023-12-11T11:47:07Z","external_id":{"pmid":["37917939"]},"publisher":"American Chemical Society","article_type":"original","quality_controlled":"1","page":"24755-24764","file_date_updated":"2023-12-11T11:44:54Z","article_processing_charge":"Yes (in subscription journal)","department":[{"_id":"RaKl"}],"date_created":"2023-12-10T23:00:59Z","publication_status":"published","intvolume":"       145","title":"Guest encapsulation alters the thermodynamic landscape of a coordination host","scopus_import":"1","_id":"14664","pmid":1,"issue":"45","author":[{"first_name":"Kuntrapakam","last_name":"Hema","full_name":"Hema, Kuntrapakam"},{"full_name":"Grommet, Angela B.","first_name":"Angela B.","last_name":"Grommet"},{"first_name":"Michał J.","last_name":"Białek","full_name":"Białek, Michał J."},{"first_name":"Jinhua","last_name":"Wang","full_name":"Wang, Jinhua"},{"full_name":"Schneider, Laura","first_name":"Laura","last_name":"Schneider"},{"last_name":"Drechsler","first_name":"Christoph","full_name":"Drechsler, Christoph"},{"first_name":"Oksana","last_name":"Yanshyna","full_name":"Yanshyna, Oksana"},{"last_name":"Diskin-Posner","first_name":"Yael","full_name":"Diskin-Posner, Yael"},{"full_name":"Clever, Guido H.","last_name":"Clever","first_name":"Guido H."},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn"}],"file":[{"creator":"dernst","file_id":"14675","relation":"main_file","access_level":"open_access","success":1,"file_name":"2023_JACS_Hema.pdf","content_type":"application/pdf","date_updated":"2023-12-11T11:44:54Z","checksum":"a1f37df6b83f88f51ba64468ce0c1589","file_size":4304472,"date_created":"2023-12-11T11:44:54Z"}],"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"oa":1,"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"type":"journal_article","date_published":"2023-11-02T00:00:00Z","language":[{"iso":"eng"}],"oa_version":"Published Version","month":"11","has_accepted_license":"1","publication":"Journal of the American Chemical Society"},{"language":[{"iso":"eng"}],"publication":"Science","oa_version":"Preprint","month":"09","main_file_link":[{"open_access":"1","url":"https://doi.org/10.26434/chemrxiv-2023-gq2h0"}],"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","type":"journal_article","date_published":"2023-09-22T00:00:00Z","publication_identifier":{"eissn":["1095-9203"]},"oa":1,"quality_controlled":"1","page":"1357-1363","publisher":"American Association for the Advancement of Science","article_type":"original","scopus_import":"1","_id":"13340","issue":"6664","author":[{"last_name":"Gemen","first_name":"Julius","full_name":"Gemen, Julius"},{"full_name":"Church, Jonathan R.","first_name":"Jonathan R.","last_name":"Church"},{"first_name":"Tero-Petri","last_name":"Ruoko","full_name":"Ruoko, Tero-Petri"},{"first_name":"Nikita","last_name":"Durandin","full_name":"Durandin, Nikita"},{"full_name":"Białek, Michał J.","first_name":"Michał J.","last_name":"Białek"},{"last_name":"Weissenfels","first_name":"Maren","full_name":"Weissenfels, Maren"},{"full_name":"Feller, Moran","first_name":"Moran","last_name":"Feller"},{"full_name":"Kazes, Miri","first_name":"Miri","last_name":"Kazes"},{"full_name":"Borin, Veniamin A.","last_name":"Borin","first_name":"Veniamin A."},{"full_name":"Odaybat, Magdalena","first_name":"Magdalena","last_name":"Odaybat"},{"first_name":"Rishir","last_name":"Kalepu","full_name":"Kalepu, Rishir"},{"last_name":"Diskin-Posner","first_name":"Yael","full_name":"Diskin-Posner, Yael"},{"first_name":"Dan","last_name":"Oron","full_name":"Oron, Dan"},{"full_name":"Fuchter, Matthew J.","last_name":"Fuchter","first_name":"Matthew J."},{"full_name":"Priimagi, Arri","last_name":"Priimagi","first_name":"Arri"},{"last_name":"Schapiro","first_name":"Igor","full_name":"Schapiro, Igor"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn"}],"department":[{"_id":"RaKl"}],"article_processing_charge":"No","date_created":"2023-08-01T08:26:15Z","publication_status":"published","intvolume":"       381","title":"Disequilibrating azoarenes by visible-light sensitization under confinement","volume":381,"acknowledgement":"We acknowledge funding from the European Union’s Horizon 2020 Research and Innovation Program [European Research Council grants 820008 (Ra.K.) and 101045223 (A.P.) and Marie Skłodowska-Curie grants 812868 (J.G.) and 101022777 (T.-P.R.)], the Academy of Finland [Center of Excellence Programme LIBER grant 346107 (A.P.), Flagship Programme PREIN grant 320165 (A.P.), and Postdoctoral Researcher grant 340103 (T.-P.R.)], Zuckerman STEM Leadership Program Fellowship (J.R.C.), President’s PhD Scholarship (M.O.), and the EPSRC [Established Career Fellowship grant EP/R00188X/1 (M.J.F.)].","year":"2023","citation":{"short":"J. Gemen, J.R. Church, T.-P. Ruoko, N. Durandin, M.J. Białek, M. Weissenfels, M. Feller, M. Kazes, V.A. Borin, M. Odaybat, R. Kalepu, Y. Diskin-Posner, D. Oron, M.J. Fuchter, A. Priimagi, I. Schapiro, R. Klajn, Science 381 (2023) 1357–1363.","mla":"Gemen, Julius, et al. “Disequilibrating Azoarenes by Visible-Light Sensitization under Confinement.” <i>Science</i>, vol. 381, no. 6664, American Association for the Advancement of Science, 2023, pp. 1357–63, doi:<a href=\"https://doi.org/10.1126/science.adh9059\">10.1126/science.adh9059</a>.","ista":"Gemen J, Church JR, Ruoko T-P, Durandin N, Białek MJ, Weissenfels M, Feller M, Kazes M, Borin VA, Odaybat M, Kalepu R, Diskin-Posner Y, Oron D, Fuchter MJ, Priimagi A, Schapiro I, Klajn R. 2023. Disequilibrating azoarenes by visible-light sensitization under confinement. Science. 381(6664), 1357–1363.","ama":"Gemen J, Church JR, Ruoko T-P, et al. Disequilibrating azoarenes by visible-light sensitization under confinement. <i>Science</i>. 2023;381(6664):1357-1363. doi:<a href=\"https://doi.org/10.1126/science.adh9059\">10.1126/science.adh9059</a>","apa":"Gemen, J., Church, J. R., Ruoko, T.-P., Durandin, N., Białek, M. J., Weissenfels, M., … Klajn, R. (2023). Disequilibrating azoarenes by visible-light sensitization under confinement. <i>Science</i>. American Association for the Advancement of Science. <a href=\"https://doi.org/10.1126/science.adh9059\">https://doi.org/10.1126/science.adh9059</a>","chicago":"Gemen, Julius, Jonathan R. Church, Tero-Petri Ruoko, Nikita Durandin, Michał J. Białek, Maren Weissenfels, Moran Feller, et al. “Disequilibrating Azoarenes by Visible-Light Sensitization under Confinement.” <i>Science</i>. American Association for the Advancement of Science, 2023. <a href=\"https://doi.org/10.1126/science.adh9059\">https://doi.org/10.1126/science.adh9059</a>.","ieee":"J. Gemen <i>et al.</i>, “Disequilibrating azoarenes by visible-light sensitization under confinement,” <i>Science</i>, vol. 381, no. 6664. American Association for the Advancement of Science, pp. 1357–1363, 2023."},"date_updated":"2023-10-03T08:11:26Z","day":"22","doi":"10.1126/science.adh9059","abstract":[{"text":"Photoisomerization of azobenzenes from their stable E isomer to the metastable Z state is the basis of numerous applications of these molecules. However, this reaction typically requires ultraviolet light, which limits applicability. In this study, we introduce disequilibration by sensitization under confinement (DESC), a supramolecular approach to induce the E-to-Z isomerization by using light of a desired color, including red. DESC relies on a combination of a macrocyclic host and a photosensitizer, which act together to selectively bind and sensitize E-azobenzenes for isomerization. The Z isomer lacks strong affinity for and is expelled from the host, which can then convert additional E-azobenzenes to the Z state. In this way, the host–photosensitizer complex converts photon energy into chemical energy in the form of out-of-equilibrium photostationary states, including ones that cannot be accessed through direct photoexcitation.","lang":"eng"}]}]