Synthesis of Porous Molecularly Imprinted Polymerized High Internal Phase Emulsion (MIP-PolyHIPE) Adsorbents for removal of water pollutants: Experimental and Molecular Dynamics Studies

Synthesis of Porous Molecularly Imprinted Polymerized High Internal Phase Emulsion (MIP-PolyHIPE) Adsorbents for removal of water pollutants: Experimental and Molecular Dynamics Studies | 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 Synthesis of Porous Molecularly Imprinted Polymerized High Internal Phase Emulsion (MIP-PolyHIPE) Adsorbents for removal of water pollutants: Experimental and Molecular Dynamics Studies Mehrnaz Sadat Seyedkhademi, Hossein Karimian, Ghasem Bahlakeh, and 1 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3956629/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 Highly porous molecularly imprinted polymers (MIPs) with molecular memory have the potential to be used for identifying various compounds. This study investigated the removal of widely used fungicides in agriculture, namely penconazole and carboxin, from aqueous solutions using molecularly imprinted polymerized high internal phase emulsions (MIP-polyHIPEs). The synthesized MIPs were characterized by SEM, TEM, FTIR, BET, and contact angle analyses. The adsorption capacity of MIPs was determined by the UV-Vis analysis. Preliminary studies showed that the MIP-polyHIPEs respectively adsorbed 85% and 57% of penconazole and carboxin. The successful desorption of fungicides from the MIPs indicated its reusability in the adsorption process. The surface hydrophilicity increased by functionalizing the MIP surface with sulfuric acid, leading to a higher adsorption percentage for penconazole. Molecular dynamics (MD) calculations also approved the capability of MIP-PolyHIPEs in adsorbing penconazole and carboxin. Molecularly Imprinted Polymers Emulsion-templated Polymerization Separation Molecular Dynamics 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. 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-3956629","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":272930915,"identity":"03a262f1-2be7-4dee-8077-4c4cd3626ef4","order_by":0,"name":"Mehrnaz Sadat Seyedkhademi","email":"","orcid":"","institution":"Golestan University","correspondingAuthor":false,"prefix":"","firstName":"Mehrnaz","middleName":"Sadat","lastName":"Seyedkhademi","suffix":""},{"id":272930916,"identity":"e6bd23d1-fc59-4d65-ae69-05b94cb8ebbe","order_by":1,"name":"Hossein Karimian","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA0klEQVRIiWNgGAWjYBACAwY2MMnDwMB8ACLETLwWtgRStIABjwFxDjNnYEv8XFGwTYZ/ds/n1zwMdvIM7LwP8GqxbGA7LHnG4DaPxJ2z26x5GJING5jZ8VtncIC9QbIBqIXhRu42Yx4G5gQGZja8OkBamn+CtMjfyHkG1FJPjBa2Y2BbDG7kMD/mYThMhJbDbGmWIC2GN9LMGOcYHDdsI6jleJvxzYY/t+3lbiQ//vCmolqen/8Yfi3IEccmAYwmBgJ2oOn+QIrqUTAKRsEoGDkAAC41ObDXdMHrAAAAAElFTkSuQmCC","orcid":"","institution":"Golestan University","correspondingAuthor":true,"prefix":"","firstName":"Hossein","middleName":"","lastName":"Karimian","suffix":""},{"id":272930917,"identity":"b27bac83-9e43-4d29-a5e6-b1bc69844eb3","order_by":2,"name":"Ghasem Bahlakeh","email":"","orcid":"","institution":"Golestan University","correspondingAuthor":false,"prefix":"","firstName":"Ghasem","middleName":"","lastName":"Bahlakeh","suffix":""},{"id":272930918,"identity":"e8d6fd26-da64-4fc9-9ce6-5591aa0ae5f8","order_by":3,"name":"Ali Mokhtari","email":"","orcid":"","institution":"Golestan University","correspondingAuthor":false,"prefix":"","firstName":"Ali","middleName":"","lastName":"Mokhtari","suffix":""}],"badges":[],"createdAt":"2024-02-14 16:50:48","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-3956629/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-3956629/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":51289577,"identity":"2c5c2aec-7a2c-40c4-a3f6-90ea0a6eccdc","added_by":"auto","created_at":"2024-02-18 18:57:17","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":2160042,"visible":true,"origin":"","legend":"","description":"","filename":"MainManuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-3956629/v1_covered_857ccdfe-d99c-4043-a6b0-792afdb9f736.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Synthesis of Porous Molecularly Imprinted Polymerized High Internal Phase Emulsion (MIP-PolyHIPE) Adsorbents for removal of water pollutants: Experimental and Molecular Dynamics Studies","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Molecularly Imprinted Polymers, Emulsion-templated Polymerization, Separation, Molecular Dynamics","lastPublishedDoi":"10.21203/rs.3.rs-3956629/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-3956629/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eHighly porous molecularly imprinted polymers (MIPs) with molecular memory have the potential to be used for identifying various compounds. This study investigated the removal of widely used fungicides in agriculture, namely penconazole and carboxin, from aqueous solutions using molecularly imprinted polymerized high internal phase emulsions (MIP-polyHIPEs). The synthesized MIPs were characterized by SEM, TEM, FTIR, BET, and contact angle analyses. The adsorption capacity of MIPs was determined by the UV-Vis analysis. Preliminary studies showed that the MIP-polyHIPEs respectively adsorbed 85% and 57% of penconazole and carboxin. The successful desorption of fungicides from the MIPs indicated its reusability in the adsorption process. The surface hydrophilicity increased by functionalizing the MIP surface with sulfuric acid, leading to a higher adsorption percentage for penconazole. 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