Investigation of the Electronic Properties of Vitamin A: Focus on Milk Analysis

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Abstract

Structural, reactivity and spectroscopic properties of vitamin A in its retinoid forms are examined. Time-Dependent DFT approach is used to study the first three electronically excited states of retinol, retinyl ester, retinol acetate and retinal. Singlet-singlet type vertical electronic transitions are considered. Computational simulations are carried out in the gas phase and in solution, within the polarizable continuum model. Once vitamin A is a natural fluorophore in milk, our findings contribute to understand its behavior in different environments, either to differentiate types of milk or to assess the quality of dairy products.
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Investigation of the Electronic Properties of Vitamin A: Focus on Milk Analysis | 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 Research Article Investigation of the Electronic Properties of Vitamin A: Focus on Milk Analysis Geórgia Maria A. Junqueira, Maria Jose V. Bell, Virgílio C. dos Anjos This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-2416296/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 Structural, reactivity and spectroscopic properties of vitamin A in its retinoid forms are examined. Time-Dependent DFT approach is used to study the first three electronically excited states of retinol, retinyl ester, retinol acetate and retinal. Singlet-singlet type vertical electronic transitions are considered. Computational simulations are carried out in the gas phase and in solution, within the polarizable continuum model. Once vitamin A is a natural fluorophore in milk, our findings contribute to understand its behavior in different environments, either to differentiate types of milk or to assess the quality of dairy products. Full Text Additional Declarations No competing interests reported. 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. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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