{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T10:57:35Z","timestamp":1781089055932,"version":"3.54.1"},"reference-count":44,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,10,1]],"date-time":"2025-10-01T00:00:00Z","timestamp":1759276800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100004731","name":"Zhejiang Province Natural Science Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004731","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2025,10]]},"DOI":"10.1016\/j.saa.2025.126093","type":"journal-article","created":{"date-parts":[[2025,4,2]],"date-time":"2025-04-02T16:38:56Z","timestamp":1743611936000},"page":"126093","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":6,"special_numbering":"C","title":["Terahertz and Raman vibrational spectroscopy detection and structural analysis of acyclovir hydrate polymorphs"],"prefix":"10.1016","volume":"338","author":[{"given":"Qiuhui","family":"Zhao","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiale","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yaqi","family":"Jing","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiadan","family":"Xue","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jianjun","family":"Liu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jianyuan","family":"Qin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhi","family":"Hong","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6228-8148","authenticated-orcid":false,"given":"Yong","family":"Du","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"3","key":"10.1016\/j.saa.2025.126093_b1","doi-asserted-by":"crossref","first-page":"512","DOI":"10.1002\/nano.202000201","article-title":"Pharmaceutical co-crystal: An alternative strategy for enhanced physicochemical properties and drug synergy","volume":"2","author":"Ngilirabanga","year":"2021","journal-title":"Nano Sel."},{"issue":"8","key":"10.1016\/j.saa.2025.126093_b2","doi-asserted-by":"crossref","first-page":"1303","DOI":"10.3390\/pharmaceutics13081303","article-title":"Terahertz and Raman spectroscopic investigation of monohydrate cocrystal of antitubercular isoniazid with protocatechuic acid","volume":"13","author":"Bo","year":"2021","journal-title":"Pharmaceutics"},{"key":"10.1016\/j.saa.2025.126093_b3","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1016\/j.saa.2017.02.004","article-title":"Structural investigation of the cocrystal formed between 5-fluorocytosine and fumaric acid based on vibrational spectroscopic technique","volume":"178","author":"Du","year":"2017","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"issue":"21","key":"10.1016\/j.saa.2025.126093_b4","doi-asserted-by":"crossref","first-page":"3819","DOI":"10.1039\/C6CE00322B","article-title":"Studies on the crystal structure and arrangement of water in sitagliptin L-tartrate hydrates","volume":"18","author":"Tieger","year":"2016","journal-title":"CrystEngComm"},{"issue":"8","key":"10.1016\/j.saa.2025.126093_b5","doi-asserted-by":"crossref","first-page":"4774","DOI":"10.1021\/acs.cgd.9b00650","article-title":"Synthonic modeling of quercetin and its hydrates: Explaining crystallization behavior in terms of molecular conformation and crystal packing","volume":"19","author":"Klitou","year":"2019","journal-title":"Cryst. Growth & Des."},{"issue":"6","key":"10.1016\/j.saa.2025.126093_b6","doi-asserted-by":"crossref","first-page":"1087","DOI":"10.1021\/cg030084y","article-title":"Pseudo polymorph: A polemic","volume":"4","author":"Seddon","year":"2004","journal-title":"Cryst. Growth & Des."},{"issue":"9","key":"10.1016\/j.saa.2025.126093_b7","doi-asserted-by":"crossref","first-page":"4927","DOI":"10.1021\/acs.cgd.1c00353","article-title":"Toward an understanding of the propensity for crystalline hydrate formation by molecular compounds. Part 2","volume":"21","author":"Sanii","year":"2021","journal-title":"Cryst. Growth & Des."},{"issue":"10","key":"10.1016\/j.saa.2025.126093_b8","doi-asserted-by":"crossref","first-page":"959","DOI":"10.3390\/pharmaceutics12100959","article-title":"Pharmaceutical hydrates analysis\u2014overview of methods and recent advances","volume":"12","author":"Jurczak","year":"2020","journal-title":"Pharmaceutics"},{"issue":"1","key":"10.1016\/j.saa.2025.126093_b9","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/sj.bjp.0706446","article-title":"Antiviral prodrugs\u2013the development of successful prodrug strategies for antiviral chemotherapy","volume":"147","author":"De Clercq","year":"2006","journal-title":"Br. J. Pharmacol."},{"issue":"3","key":"10.1016\/j.saa.2025.126093_b10","doi-asserted-by":"crossref","first-page":"78","DOI":"10.1097\/00128488-200109000-00003","article-title":"The American society of health system pharmacists","volume":"3","author":"Beard","year":"2001","journal-title":"JONA\u2019s Heal. Law, Ethics Regul."},{"issue":"12","key":"10.1016\/j.saa.2025.126093_b11","doi-asserted-by":"crossref","first-page":"1318","DOI":"10.1080\/03639040701385527","article-title":"Oral bioavailability enhancement of acyclovir by self-microemulsifying drug delivery systems (SMEDDS)","volume":"33","author":"Patel","year":"2007","journal-title":"Drug Dev. Ind. Pharm."},{"issue":"3","key":"10.1016\/j.saa.2025.126093_b12","doi-asserted-by":"crossref","first-page":"949","DOI":"10.1002\/jps.22336","article-title":"Polymorphs and hydrates of acyclovir","volume":"100","author":"Lutker","year":"2011","journal-title":"J. Pharm. Sci."},{"issue":"1\u20132","key":"10.1016\/j.saa.2025.126093_b13","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1080\/01411594.2023.2288583","article-title":"Investigation on the structural characteristics and polymorphic transformation mechanism of polymorphic hydrates: a case of minodronic acid monohydrate","volume":"97","author":"Gao","year":"2024","journal-title":"Phase Transit."},{"key":"10.1016\/j.saa.2025.126093_b14","series-title":"BIO Web of Conferences, Vol. 129","first-page":"07012","article-title":"Structural study of polyphasic mixtures using 3d electron diffraction: A case study of oxyresveratrol","author":"Agbemeh","year":"2024"},{"issue":"40","key":"10.1016\/j.saa.2025.126093_b15","doi-asserted-by":"crossref","first-page":"41555","DOI":"10.1021\/acsomega.4c05292","article-title":"Polymorphism in oxyresveratrol studied by 3D ED","volume":"9","author":"Husanu","year":"2024","journal-title":"ACS Omega"},{"issue":"2","key":"10.1016\/j.saa.2025.126093_b16","doi-asserted-by":"crossref","first-page":"298","DOI":"10.3390\/molecules26020298","article-title":"Investigation of solubility behavior of canagliflozin hydrate crystals combining crystallographic and hirshfeld surface calculations","volume":"26","author":"Zhu","year":"2021","journal-title":"Molecules"},{"issue":"7","key":"10.1016\/j.saa.2025.126093_b17","doi-asserted-by":"crossref","first-page":"5102","DOI":"10.1021\/acs.cgd.3c00322","article-title":"Dehydration of niclosamide monohydrate polymorphs: Different mechanistic pathways to the same product","volume":"23","author":"Mann","year":"2023","journal-title":"Cryst. Growth & Des."},{"issue":"11","key":"10.1016\/j.saa.2025.126093_b18","doi-asserted-by":"crossref","DOI":"10.1016\/j.heliyon.2022.e11317","article-title":"A study of the heat-mediated phase transformations of praziquantel hydrates. Evaluation of their impact on the dissolution rate","volume":"8","author":"Salazar-Rojas","year":"2022","journal-title":"Heliyon"},{"issue":"20","key":"10.1016\/j.saa.2025.126093_b19","article-title":"Dehydration as a preparative tool in the crystal structure landscape investigations of tenofovir","volume":"24","author":"Kaszubowski","year":"2024","journal-title":"Cryst. Growth & Des."},{"issue":"43","key":"10.1016\/j.saa.2025.126093_b20","doi-asserted-by":"crossref","first-page":"7272","DOI":"10.1039\/D0CE00261E","article-title":"Structural origin of physicochemical properties differences upon dehydration and polymorphic transformation of ciprofloxacin hydrochloride revealed by structure determination from powder X-ray diffraction data","volume":"22","author":"Putra","year":"2020","journal-title":"CrystEngComm"},{"issue":"9","key":"10.1016\/j.saa.2025.126093_b21","doi-asserted-by":"crossref","first-page":"6044","DOI":"10.1021\/acs.cgd.0c00768","article-title":"Conformational change initiates dehydration in fluconazole monohydrate","volume":"20","author":"Basford","year":"2020","journal-title":"Cryst. Growth & Des."},{"issue":"7","key":"10.1016\/j.saa.2025.126093_b22","doi-asserted-by":"crossref","first-page":"758","DOI":"10.1366\/13-07329","article-title":"Polymorph characterization of active pharmaceutical ingredients (APIs) using low-frequency Raman spectroscopy","volume":"68","author":"Larkin","year":"2014","journal-title":"Appl. Spectrosc."},{"issue":"2","key":"10.1016\/j.saa.2025.126093_b23","doi-asserted-by":"crossref","first-page":"152","DOI":"10.1109\/TTHZ.2024.3358734","article-title":"Distinguishing polymorphs of ethenzamide-saccharin cocrystal based on terahertz and Raman vibrational spectroscopic techniques","volume":"14","author":"Jing","year":"2024","journal-title":"IEEE Trans. Terahertz Sci. Technol."},{"issue":"6","key":"10.1016\/j.saa.2025.126093_b24","doi-asserted-by":"crossref","first-page":"4448","DOI":"10.1021\/acs.cgd.3c00200","article-title":"Two polymorphic cocrystals of theophylline with ferulic acid","volume":"23","author":"Liu","year":"2023","journal-title":"Cryst. Growth & Des."},{"key":"10.1016\/j.saa.2025.126093_b25","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1016\/j.saa.2017.06.011","article-title":"Solid-state cocrystal formation between acyclovir and fumaric acid: Terahertz and Raman vibrational spectroscopic studies","volume":"186","author":"Cai","year":"2017","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"issue":"38","key":"10.1016\/j.saa.2025.126093_b26","doi-asserted-by":"crossref","first-page":"4829","DOI":"10.2174\/1381612826666200523173448","article-title":"Raman and terahertz spectroscopic characterization of solid-state cocrystal formation within specific active pharmaceutical ingredients","volume":"26","author":"Du","year":"2020","journal-title":"Curr. Pharm. Des."},{"issue":"6","key":"10.1016\/j.saa.2025.126093_b27","doi-asserted-by":"crossref","first-page":"1747","DOI":"10.3390\/pharmaceutics15061747","article-title":"Polymorphism of carbamazepine pharmaceutical cocrystal: Structural analysis and solubility performance","volume":"15","author":"Surov","year":"2023","journal-title":"Pharmaceutics"},{"issue":"15","key":"10.1016\/j.saa.2025.126093_b28","doi-asserted-by":"crossref","first-page":"8550","DOI":"10.3390\/ijms23158550","article-title":"Pharmaceutical cocrystals of ethenzamide: molecular structure analysis based on vibrational spectra and DFT calculations","volume":"23","author":"Wan","year":"2022","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.saa.2025.126093_b29","doi-asserted-by":"crossref","first-page":"528","DOI":"10.1016\/j.saa.2017.08.041","article-title":"Intermolecular vibrational modes and H-bond interactions in crystalline urea investigated by terahertz spectroscopy and theoretical calculation","volume":"189","author":"Zhao","year":"2018","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.126093_b30","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2023.123478","article-title":"Investigation into polymorphism within ethenzamide-ethylmalonic acid cocrystal using Raman and terahertz vibrational spectroscopy","volume":"305","author":"Zhang","year":"2024","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"issue":"1","key":"10.1016\/j.saa.2025.126093_b31","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1109\/TTHZ.2024.3410680","article-title":"Structural investigation of co-crystal formed between theophylline and nicotinamide based on terahertz and Raman spectroscopy","volume":"20","author":"Qin","year":"2024","journal-title":"IEEE Trans. Terahertz Sci. Technol."},{"key":"10.1016\/j.saa.2025.126093_b32","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2024.139032","article-title":"Terahertz and Raman spectroscopy investigations of barbituric acid and nitrofurantoin cocrystal formation","volume":"1317","author":"Yang","year":"2024","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2025.126093_b33","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2023.123550","article-title":"Study of low-frequency spectroscopic characteristics of \u03b3-aminobutyric acid with THz and low-wavenumber Raman spectroscopy","volume":"305","author":"Ge","year":"2024","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.126093_b34","series-title":"Gaussian 09W, revision A. 02","author":"Frisch","year":"2009"},{"issue":"5\u20136","key":"10.1016\/j.saa.2025.126093_b35","doi-asserted-by":"crossref","first-page":"571","DOI":"10.1524\/zkri.220.5.571.65065","article-title":"CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals","volume":"220","author":"Dovesi","year":"2005","journal-title":"Z. F\u00fcr Kristallographie- Cryst. Mater."},{"key":"10.1016\/j.saa.2025.126093_b36","doi-asserted-by":"crossref","first-page":"1261","DOI":"10.1007\/s10973-013-3140-1","article-title":"Polymorphic and pseudomorphic transformation behavior of acyclovir based on thermodynamics and crystallography","volume":"113","author":"Terada","year":"2013","journal-title":"J. Therm. Anal. Calorim."},{"issue":"12","key":"10.1016\/j.saa.2025.126093_b37","doi-asserted-by":"crossref","first-page":"2646","DOI":"10.1139\/v84-449","article-title":"Conformational features of acyclonucleosides: structure of acyclovir, an antiherpes agent","volume":"62","author":"Birnbaum","year":"1984","journal-title":"Can. J. Chem."},{"key":"10.1016\/j.saa.2025.126093_b38","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1016\/j.saa.2018.05.002","article-title":"Investigation into structure and dehydration dynamic of gallic acid monohydrate: A Raman spectroscopic study","volume":"201","author":"Cai","year":"2018","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.126093_b39","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2021.120344","article-title":"Terahertz spectra and weak intermolecular interactions of nucleosides or nucleoside drugs","volume":"265","author":"Wang","year":"2022","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.126093_b40","doi-asserted-by":"crossref","DOI":"10.1016\/j.ijpharm.2022.121759","article-title":"The fingerprints of nifedipine\/isonicotinamide cocrystal polymorph studied by terahertz time-domain spectroscopy","volume":"620","author":"Wang","year":"2022","journal-title":"Int. J. Pharm."},{"key":"10.1016\/j.saa.2025.126093_b41","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2022.121931","article-title":"Spectroscopic and quantum chemical investigations to explore the effect of intermolecular interactions in a diuretic drug: Hydrochlorothiazide","volume":"285","author":"Yadav","year":"2023","journal-title":"Spectrochim. Acta Part A: Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.126093_b42","doi-asserted-by":"crossref","first-page":"231","DOI":"10.1007\/s12272-001-1146-x","article-title":"Polymorphism and pseudopolymorphism of acyclovir","volume":"31","author":"Sohn","year":"2008","journal-title":"Arch. Pharmacal Res."},{"issue":"10","key":"10.1016\/j.saa.2025.126093_b43","first-page":"1069","article-title":"Co-crystal between nitrofurantion and urea investigated by terahertz spectroscopy and density functional theory","volume":"73","author":"Zhang","year":"2015","journal-title":"Acta Chim. Sin."},{"issue":"4","key":"10.1016\/j.saa.2025.126093_b44","doi-asserted-by":"crossref","first-page":"1510","DOI":"10.1021\/cg3017112","article-title":"Green synthesis of ibuprofen\u2013nicotinamide cocrystals and in-line evaluation by Raman spectroscopy","volume":"13","author":"Soares","year":"2013","journal-title":"Cryst. Growth & Des."}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142525003993?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142525003993?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,5,22]],"date-time":"2025-05-22T11:55:41Z","timestamp":1747914941000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142525003993"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,10]]},"references-count":44,"alternative-id":["S1386142525003993"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2025.126093","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2025,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Terahertz and Raman vibrational spectroscopy detection and structural analysis of acyclovir hydrate polymorphs","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2025.126093","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"126093"}}