Sub-microsecond 2D Molecular Motion Mapping of Polymer Resin Enabled by Machine Learning

Sub-microsecond 2D Molecular Motion Mapping of Polymer Resin Enabled by Machine Learning | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article Sub-microsecond 2D Molecular Motion Mapping of Polymer Resin Enabled by Machine Learning Masahiro Kuramochi, Kentaro Hoshisashi, Shunya Shimomura, Daisuke Sasaki, and 7 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6574721/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract We developed a time-resolved X-ray method, Transmitted X-ray Blinking (TXB), with a temporal resolution of 900 ns per frame, enabling sub-microsecond analysis of molecular dynamics. TXB was applied to two structurally distinct polymer resins—crystalline PEEK and amorphous PEI—which exhibit nearly identical X-ray transmission images. Despite this similarity, single-pixel autocorrelation function (spACF) analysis revealed statistically significant differences in their dynamic behaviour. Complementary Diffracted X-ray Blinking (DXB) measurements confirmed dynamic differences, indicating that contrast arises not only from temporal resolution but also from sensitivity to distinct molecular motions, such as rotational diffusion. Although a two-dimensional map of decay constants showed only partial separation, applying principal component analysis (PCA) followed by linear discriminant analysis (LDA) to the spACF curves enabled >90% classification accuracy. Spectral analysis further revealed that the key discriminative components involved periodic fluctuations with peaks around 300 and 400 kHz. These findings demonstrate that TXB, especially when combined with multivariate analysis, can uncover hidden dynamic features in materials with otherwise indistinguishable static contrast. While demonstrated on solid-state polymers, this approach holds promise for broader applications in soft and biological materials, where subtle dynamic signatures often play critical roles in structure–function relationships. Physical sciences/Chemistry/Analytical chemistry Physical sciences/Nanoscience and technology/Techniques and instrumentation/Imaging techniques Full Text Additional Declarations No competing interests reported. Supplementary Files PEEKPEISciRepSupplv2.pdf Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-6574721","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":451341533,"identity":"6af612b7-ea7e-401f-ad23-b66cb61d2fbe","order_by":0,"name":"Masahiro 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