{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T18:29:25Z","timestamp":1787077765827,"version":"build-2736575974"},"reference-count":24,"publisher":"American Chemical Society (ACS)","issue":"27","license":[{"start":{"date-parts":[[2025,7,4]],"date-time":"2025-07-04T00:00:00Z","timestamp":1751587200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["20K21121"],"award-info":[{"award-number":["20K21121"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["24K21710"],"award-info":[{"award-number":["24K21710"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["JP23H04878"],"award-info":[{"award-number":["JP23H04878"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2025,7,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Metal coordination has emerged as a promising strategy to modulate peptide self-assembly and enhance crystal stability. In this study, we investigated the crystallization behavior of a histidine-containing tetrapeptide in the presence and absence of copper ions to elucidate the role of metal coordination in peptide assembly. Crystals were obtained under both conditions and characterized using single-crystal X-ray diffraction (sc-XRD) and angle-resolved polarized Raman spectroscopy. The copper-free crystals exhibited a rod-like morphology stabilized predominantly by hydrogen bonding, with molecular alignment along the a-axis. In contrast, the copper-containing crystals adopted a needle-like form with a distinct molecular orientation. Raman spectroscopy revealed coordination between histidine side chains and copper ions, suggesting that metal binding modulates the intermolecular packing and alters the crystal architecture. These findings demonstrate how metal\u2013peptide interactions influence peptide crystallization and highlight the utility of vibrational spectroscopy in probing such interactions at the molecular level.<\/jats:p>","DOI":"10.1021\/acsomega.5c03327","type":"journal-article","created":{"date-parts":[[2025,7,4]],"date-time":"2025-07-04T03:30:27Z","timestamp":1751599827000},"page":"29647-29653","source":"Crossref","is-referenced-by-count":0,"title":["Structural and\nSpectroscopic Characterization of a\nHistidine-Containing Tetrapeptide Crystallized with Copper Chloride"],"prefix":"10.1021","volume":"10","author":[{"given":"Yumie","family":"Nishiyama","sequence":"first","affiliation":[{"name":"Institute of Science Tokyo , , 2-12-1, Ookayama, Meguro-ku , ,","place":["Tokyo, Japan, 152-8550"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vanessa Seudo","family":"Dimo","sequence":"additional","affiliation":[{"name":"Institute of Science Tokyo , , 2-12-1, Ookayama, Meguro-ku , ,","place":["Tokyo, Japan, 152-8550"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kazunori","family":"Motai","sequence":"additional","affiliation":[{"name":"Institute of Science Tokyo , , 2-12-1, Ookayama, Meguro-ku , ,","place":["Tokyo, Japan, 152-8550"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-8502-9391","authenticated-orcid":true,"given":"Yuki","family":"Wada","sequence":"additional","affiliation":[{"name":"Institute of Science Tokyo , , 2-12-1, Ookayama, Meguro-ku , ,","place":["Tokyo, Japan, 152-8550"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Masaki","family":"Kawano","sequence":"additional","affiliation":[{"name":"Institute of Science Tokyo , , 2-12-1, Ookayama, Meguro-ku , ,","place":["Tokyo, Japan, 152-8550"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1411-9400","authenticated-orcid":true,"given":"Yuhei","family":"Hayamizu","sequence":"additional","affiliation":[{"name":"Institute of Science Tokyo , , 2-12-1, Ookayama, Meguro-ku , ,","place":["Tokyo, Japan, 152-8550"]},{"name":"Institute of Integrated Research, Institute of Science Tokyo , , 4259 Nagatsuta-cho, Midori-ku , ,","place":["Yokohama, Japan, 226-8501"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,7,4]]},"reference":[{"issue":"5619","key":"2026081812130304500_cit1","doi-asserted-by":"publisher","first-page":"625","DOI":"10.1126\/science.1082387","article-title":"Casting Metal Nanowires Within Discrete Self-Assembled Peptide Nanotubes","volume":"300","author":"Reches","year":"2003","journal-title":"Science"},{"issue":"24","key":"2026081812130304500_cit2","doi-asserted-by":"publisher","first-page":"4463","DOI":"10.1021\/ol048253a","article-title":"A New Motif in the\nFormation of Peptide Nanotubes: The Crystallographic Signature","volume":"6","author":"Ray","year":"2004","journal-title":"Org. Lett."},{"issue":"3","key":"2026081812130304500_cit3","doi-asserted-by":"publisher","first-page":"403","DOI":"10.1038\/s41563-020-0799-0","article-title":"Mechanistic Insights\nof Evaporation-Induced Actuation in Supramolecular Crystals","volume":"20","author":"Piotrowska","year":"2021","journal-title":"Nat. Mater."},{"issue":"2","key":"2026081812130304500_cit4","doi-asserted-by":"publisher","first-page":"100","DOI":"10.5185\/amlett.2010.12223","article-title":"Diphenylalanine\nPeptide Nanotube: Charge Transport, Band Gap And Its Relevance To\nPotential Biomedical Applications","volume":"2","author":"Santhanamoorthi","year":"2011","journal-title":"Adv. Mater.\nLett."},{"issue":"5","key":"2026081812130304500_cit5","doi-asserted-by":"publisher","first-page":"1704551","DOI":"10.1002\/adma.201704551","article-title":"Bioinspired\nFlexible and Tough Layered Peptide Crystals","volume":"30","author":"Adler-Abramovich","year":"2018","journal-title":"Adv. Mater."},{"issue":"6365","key":"2026081812130304500_cit6","doi-asserted-by":"publisher","DOI":"10.1126\/science.aam9756","article-title":"Self-Assembling Peptide\nSemiconductors","volume":"358","author":"Tao","year":"2017","journal-title":"Science"},{"issue":"47","key":"2026081812130304500_cit7","doi-asserted-by":"publisher","first-page":"11186","DOI":"10.1002\/anie.201103941","article-title":"Uniaxially\nOriented Peptide Crystals for Active Optical Waveguiding","volume":"50","author":"Yan","year":"2011","journal-title":"Angew. Chem., Int. Ed."},{"issue":"6","key":"2026081812130304500_cit8","doi-asserted-by":"publisher","first-page":"4556","DOI":"10.1021\/acs.cgd.3c00302","article-title":"Bifurcated Hydrogen\nBonds in a Peptide Crystal Unveiled by X-Ray Diffraction and Polarized\nRaman Spectroscopy","volume":"23","author":"Motai","year":"2023","journal-title":"Cryst. Growth Des."},{"issue":"23","key":"2026081812130304500_cit9","doi-asserted-by":"publisher","first-page":"5153","DOI":"10.1002\/1521-3765(20011203)7:23&lt;5153::AID-CHEM5153&gt;3.0.CO;2-N","article-title":"Nanotube\nFormation by Hydrophobic Dipeptides","volume":"7","author":"Go\u0308rbitz","year":"2001","journal-title":"Chem. \u2013\nEur. J."},{"key":"2026081812130304500_cit10","doi-asserted-by":"publisher","first-page":"1840","DOI":"10.1038\/s41565-024-01766-3","article-title":"High-Entropy\nNon-Covalent Cyclic Peptide Glass","volume":"19","author":"Yuan","year":"2024","journal-title":"Nat. Nanotechnol."},{"issue":"43","key":"2026081812130304500_cit11","doi-asserted-by":"publisher","first-page":"2102524","DOI":"10.1002\/adfm.202102524","article-title":"2D Layered Dipeptide Crystals for\nPiezoelectric Applications","volume":"31","author":"Zelenovskii","year":"2021","journal-title":"Adv. Funct. Mater."},{"key":"2026081812130304500_cit12","doi-asserted-by":"publisher","first-page":"14","DOI":"10.1016\/j.ccr.2019.06.013","article-title":"Peptide-Coordination\nSelf-Assembly for the Precise Design of Theranostic Nanodrugs","volume":"397","author":"Cao","year":"2019","journal-title":"Coord. Chem. Rev."},{"issue":"29","key":"2026081812130304500_cit13","doi-asserted-by":"publisher","first-page":"16160","DOI":"10.1021\/jacs.3c04710","article-title":"X-Ray and\nElectron Diffraction Observations of Steric Zipper Interactions in\nMetal-Induced Peptide Cross-\u03b2 Nanostructures","volume":"145","author":"Tsunekawa","year":"2023","journal-title":"J. Am. Chem. Soc."},{"issue":"26","key":"2026081812130304500_cit14","doi-asserted-by":"publisher","first-page":"7287","DOI":"10.1039\/c1cc11202c","article-title":"Metal\u2013Biomolecule\nFrameworks\n(MBioFs)","volume":"47","author":"Imaz","year":"2011","journal-title":"Chem. Commun."},{"issue":"1","key":"2026081812130304500_cit15","doi-asserted-by":"publisher","first-page":"2","DOI":"10.1107\/S2053230X13033141","article-title":"Introduction to\nProtein Crystallization","volume":"70","author":"McPherson","year":"2014","journal-title":"Acta Crystallogr. Sect.\nF Struct. Biol. Commun."},{"issue":"2","key":"2026081812130304500_cit16","doi-asserted-by":"publisher","first-page":"125","DOI":"10.1107\/S0907444909047337","article-title":"XDS","volume":"66","author":"Kabsch","year":"2010","journal-title":"Acta Crystallogr.\nD Biol. Crystallogr."},{"issue":"1","key":"2026081812130304500_cit17","doi-asserted-by":"publisher","first-page":"3","DOI":"10.1107\/S2053273314026370","article-title":"SHELXT\u2013Integrated\nSpace-Group and Crystal-Structure Determination","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Crystallogr. Sect. Found. Adv."},{"issue":"1","key":"2026081812130304500_cit18","doi-asserted-by":"publisher","first-page":"3","DOI":"10.1107\/S2053229614024218","article-title":"Crystal\nStructure Refinement with SHELXL","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Crystallogr.\nSect. C Struct. Chem."},{"issue":"2","key":"2026081812130304500_cit19","doi-asserted-by":"publisher","first-page":"339","DOI":"10.1107\/S0021889808042726","article-title":"OLEX2: A Complete\nStructure Solution, Refinement and Analysis Program","volume":"42","author":"Dolomanov","year":"2009","journal-title":"J. Appl. Crystallogr."},{"issue":"3","key":"2026081812130304500_cit20","doi-asserted-by":"publisher","first-page":"280","DOI":"10.1107\/S010876818400210X","article-title":"The Geometry\nof the N\u2013H\u00b7\u00b7\u00b7O\n= C Hydrogen Bond. 3. Hydrogen-Bond Distances and Angles","volume":"40","author":"Taylor","year":"1984","journal-title":"Acta Crystallogr. B"},{"issue":"8","key":"2026081812130304500_cit21","doi-asserted-by":"publisher","first-page":"4689","DOI":"10.1103\/PhysRevB.30.4689","article-title":"Spectroscopic\nEvidence for Davydov-like Solitons in\nAcetanilide","volume":"30","author":"Careri","year":"1984","journal-title":"Phys. Rev. B"},{"key":"2026081812130304500_cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2021.119712","article-title":"Potential\nof Raman Spectroscopic Techniques to Study\nProteins","volume":"258","author":"Kuhar","year":"2021","journal-title":"Spectrochim. Acta. A. Mol. Biomol.\nSpectrosc."},{"issue":"6","key":"2026081812130304500_cit23","doi-asserted-by":"publisher","first-page":"1148","DOI":"10.1246\/bcsj.80.1148","article-title":"Structural Details of a Fowl Feather Elucidated by\nUsing Polarized Raman Microspectroscopy","volume":"80","author":"Yokote","year":"2007","journal-title":"Bull.\nChem. Soc. Jpn."},{"key":"2026081812130304500_cit24","doi-asserted-by":"publisher","first-page":"305","DOI":"10.1002\/bip.10440","article-title":"Raman Structural\nMarkers of Tryptophan and Histidine Side Chains in Proteins","volume":"72","author":"Takeuchi","year":"2003","journal-title":"Biopolymers"}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.5c03327","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/10\/27\/29647\/40842682\/ao5c03327.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/10\/27\/29647\/40842682\/ao5c03327.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T18:02:59Z","timestamp":1787076179000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/acsodf\/article\/10\/27\/29647\/3654984\/Structural-and-Spectroscopic-Characterization-of-a"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,7,4]]},"references-count":24,"journal-issue":{"issue":"27","published-online":{"date-parts":[[2025,7,4]]},"published-print":{"date-parts":[[2025,7,15]]}},"URL":"https:\/\/doi.org\/10.1021\/acsomega.5c03327","relation":{},"ISSN":["2470-1343"],"issn-type":[{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,7,4]]}}}