{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,27]],"date-time":"2026-10-27T03:41:56Z","timestamp":1793072516815,"version":"4.5.0"},"reference-count":39,"publisher":"Wiley","issue":"37","license":[{"start":{"date-parts":[[2025,7,23]],"date-time":"2025-07-23T00:00:00Z","timestamp":1753228800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22402227"],"award-info":[{"award-number":["22402227"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22172193"],"award-info":[{"award-number":["22172193"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"published-print":{"date-parts":[[2025,9,8]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Precise control of structures and morphologies in peptide self\u2010assembly has been challenging. We report the self\u2010assembly of amphiphilic peptides I\n                    <jats:sub>3<\/jats:sub>\n                    H, designed with a modular structure featuring three consecutive isoleucine residues as a hydrophobic tail and a C\u2010terminal histidine\u2010based hydrophilic headgroup. Microscopic, neutron scattering, and spectroscopic techniques demonstrate that the designed peptides self\u2010assemble into \u03b2\u2010sheet nanofibrils, with their helix handedness exhibiting subtle pH\u2010dependent inversion. pH titration, NMR, and molecular dynamics simulations reveal the underlying mechanism correlates with the protonation state of histidine and the molecular packing modes in \u03b2\u2010sheet assemblies. The protonated histidine promotes antiparallel \u03b2\u2010sheet packing at lower pH while its deprotonated state favors parallel packing when pH is increased. Strong \u03c0\u2010\u03c0 stacking interactions between deprotonated histidine side chains in parallel \u03b2\u2010sheet arrangements drive chiral flipping of \u03b2\u2010strands, ultimately inducing supramolecular helix inversion. Furthermore, such a pH\u2010dependent helix inversion can be engineered by inserting the achiral and flexible glycine at the hydrophobic\/hydrophilic interface, with I\n                    <jats:sub>3<\/jats:sub>\n                    GH assembly maintaining this effect while I\n                    <jats:sub>3<\/jats:sub>\n                    GGH assembly abolishing it. This work not only advances our mechanistic understanding of peptide chirality inversion at the level of individual \u03b2\u2010sheets but also provides a blueprint for designing hierarchical chirality through precise modulation of molecular packing modes and side\u2010chain interactions.\n                  <\/jats:p>","DOI":"10.1002\/anie.202511407","type":"journal-article","created":{"date-parts":[[2025,7,24]],"date-time":"2025-07-24T06:36:02Z","timestamp":1753338962000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["pH\u2010Dependent Packing Mode Variations and Chirality Inversion in Short Peptide Self\u2010Assembly"],"prefix":"10.1002","volume":"64","author":[{"given":"Xiaoyue","family":"Ma","sequence":"first","affiliation":[{"name":"College of Chemistry and Chemical Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kai","family":"Qi","sequence":"additional","affiliation":[{"name":"College of Chemistry and Chemical Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinfeng","family":"Ju","sequence":"additional","affiliation":[{"name":"College of Chemistry and Chemical Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yawei","family":"Sun","sequence":"additional","affiliation":[{"name":"College of Chemistry and Chemical Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hua","family":"Yang","sequence":"additional","affiliation":[{"name":"Spallation Neutron Source Science Center  Dalang Dongguan 523803 China"},{"name":"Institute of High Energy Physics Chinese Academy of Sciences (CAS)  Beijing 100049 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yubin","family":"Ke","sequence":"additional","affiliation":[{"name":"Spallation Neutron Source Science Center  Dalang Dongguan 523803 China"},{"name":"Institute of High Energy Physics Chinese Academy of Sciences (CAS)  Beijing 100049 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Material Science and Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yurong","family":"Zhao","sequence":"additional","affiliation":[{"name":"College of Chemistry and Chemical Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5796-4404","authenticated-orcid":false,"given":"Hai","family":"Xu","sequence":"additional","affiliation":[{"name":"College of Chemistry and Chemical Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7525-5943","authenticated-orcid":false,"given":"Jiqian","family":"Wang","sequence":"additional","affiliation":[{"name":"College of Chemistry and Chemical Engineering China University of Petroleum (East China)  66 Changjiang West Road Qingdao 266580 China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,7,23]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrg1115"},{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/nsb803"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/idm2.12117"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.8b00921"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr500671p"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/nn404886k"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja407583r"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202215867"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-019-0129-8"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2020.213418"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/smll.202003945"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp002590t"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.191250198"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi0485880"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2909550"},{"key":"e_1_2_7_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(73)90022-3"},{"key":"e_1_2_7_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.1c02547"},{"key":"e_1_2_7_18_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12274-023-5783-y"},{"key":"e_1_2_7_19_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-50448-0"},{"key":"e_1_2_7_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja500445z"},{"key":"e_1_2_7_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja021047i"},{"key":"e_1_2_7_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/la900653q"},{"key":"e_1_2_7_23_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja8037323"},{"key":"e_1_2_7_24_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41565-024-01641-1"},{"key":"e_1_2_7_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b00847"},{"key":"e_1_2_7_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.nanolett.1c02944"},{"key":"e_1_2_7_27_1","volume-title":"Fundamentals of Biochemistry","author":"Voet D.","year":"2002"},{"key":"e_1_2_7_28_1","doi-asserted-by":"publisher","DOI":"10.1007\/s002149900100"},{"key":"e_1_2_7_29_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26812"},{"key":"e_1_2_7_30_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22885"},{"key":"e_1_2_7_31_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0567739476001873"},{"key":"e_1_2_7_32_1","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1997.1348"},{"key":"e_1_2_7_33_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.262663499"},{"key":"e_1_2_7_34_1","doi-asserted-by":"publisher","DOI":"10.1006\/abio.1999.4320"},{"key":"e_1_2_7_35_1","doi-asserted-by":"publisher","DOI":"10.1006\/abio.1996.0084"},{"key":"e_1_2_7_36_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja060573x"},{"key":"e_1_2_7_37_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201403249"},{"key":"e_1_2_7_38_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.colsurfa.2023.131257"},{"key":"e_1_2_7_39_1","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.adu6759"}],"updated-by":[{"DOI":"10.1002\/anie.8533589","type":"correction","label":"Correction","source":"publisher","updated":{"date-parts":[[2026,1,29]],"date-time":"2026-01-29T00:00:00Z","timestamp":1769644800000}}],"container-title":["Angewandte Chemie International Edition"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/anie.202511407","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,11,30]],"date-time":"2025-11-30T06:02:41Z","timestamp":1764482561000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.202511407"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,7,23]]},"references-count":39,"journal-issue":{"issue":"37","published-print":{"date-parts":[[2025,9,8]]}},"alternative-id":["10.1002\/anie.202511407"],"URL":"https:\/\/doi.org\/10.1002\/anie.202511407","archive":["Portico"],"relation":{},"ISSN":["1433-7851","1521-3773"],"issn-type":[{"value":"1433-7851","type":"print"},{"value":"1521-3773","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,7,23]]},"assertion":[{"value":"2025-05-25","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-07-14","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-07-23","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e202511407"}}