{"insert":{"user_id":"R000056422","type":"published_papers","id":"51732774"},"force":{"see_also":[{"@id":"https://tokushima-u.repo.nii.ac.jp/records/2013967","label":"url"},{"@id":"https://web.db.tokushima-u.ac.jp/cgi-bin/edb_browse?EID=458451","label":"url"}],"paper_title":{"en":"Statistical prediction of chemical composition and monomer sequences in methyl acrylate ethyl acrylate copolymers by multivariate analysis of NMR spectra","ja":"Statistical prediction of chemical composition and monomer sequences in methyl acrylate ethyl acrylate copolymers by multivariate analysis of NMR spectra"},"authors":{"en":[{"name":"Hirano Tomohiro"},{"name":"Tamakoshi Reina"},{"name":"Kobayashi Yuzuki"},{"name":"Nakano Tamaki"},{"name":"Kawatani Ryo"},{"name":"Torii Kohei"},{"name":"Yoshida Ken"},{"name":"Mizuguchi Hitoshi"}],"ja":[{"name":"平野 朋広"},{"name":"Tamakoshi Reina"},{"name":"Kobayashi Yuzuki"},{"name":"Nakano Tamaki"},{"name":"川谷 諒"},{"name":"鳥井 浩平"},{"name":"吉田 健"},{"name":"水口 仁志"}]},"description":{"en":"Quantitative characterization of copolymer microstructures, including chemical composition and monomer sequences, is essential because these primary structures strongly influence material properties. In this study, we applied multivariate analysis to NMR spectra of methyl acrylate (MA) ethyl acrylate (EA) copolymers to predict their chemical composition and monomer sequences. By applying partial least squares (PLS) regression, the MA composition was successfully predicted from 13C NMR spectra. 1H NMR spectra also provided satisfactory predictions, but 13C NMR spectra yielded more accurate results, likely because the chemical shifts of the 13C signals of the individual monomeric units were more distinct, despite spectral overlap creating an apparently featureless line shape. Monomer sequences, particularly the hetero-diad sequence, were difficult to predict using 1H NMR spectra, whereas the use of 13C NMR spectra markedly improved the prediction accuracy owing to their wider chemical shift range. This level of primary structural detail in acrylate copolymers cannot be achieved using conventional NMR analysis that relies on peak assignment and integration. These findings demonstrate that NMR spectroscopy combined with statistical multivariate analysis offers a powerful approach for determining the primary structures of acrylate copolymers.","ja":"アクリル酸メチル/アクリル酸エチル共重合体のNMRスペクトルに多変量解析を適用することで，従来の解析法では定量することができなかった2連子モノマー連鎖分布の推定に成功した．"},"publication_date":"2026-01-09","publication_name":{"en":"Polymer","ja":"Polymer"},"volume":"343","starting_page":"129388","ending_page":"129388","languages":["eng"],"referee":true,"identifiers":{"doi":["10.1016/j.polymer.2025.129388"],"issn":["0032-3861"]},"published_paper_type":"scientific_journal"},"priority":"input_data"}