Enhancing the Sensitivity of Covalent Organic Frameworks for Ciprofloxacin Detection through Strategic Heteroatom Doping (X = N, P, S, Si)

Enhancing the Sensitivity of Covalent Organic Frameworks for Ciprofloxacin Detection through Strategic Heteroatom Doping (X = N, P, S, Si) | 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 Enhancing the Sensitivity of Covalent Organic Frameworks for Ciprofloxacin Detection through Strategic Heteroatom Doping (X = N, P, S, Si) Okpanachi Nuhu Oyibo, Lubem Aondoakaa, Maryann A. Odume, Jovita K. Ngene This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-9324385/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 8 You are reading this latest preprint version Abstract Ciprofloxacin water pollution from poor waste management poses serious ecological and public health risks. In this research, we investigated the adsorption capacity of covalent organic frameworks (COFs) doped with heteroatoms such as nitrogen, phosphorus, sulfur, and silicon to enhance their ability to adsorb ciprofloxacin. Using density functional theory (DFT) with the ꞷB97XD/6-311G(d) level of theory. This study included structural analysis, electronic properties, spectral analysis, topological studies, and adsorption energy investigations to provide a comprehensive understanding of the COF-ciprofloxacin interaction. The results revealed that the bare COF was strongly chemisorbed with ciprofloxacin, with an adsorption energy of -1.088 eV. Conversely, doping COFs with nitrogen alone or in combination with sulfur and silicon significantly improved chemisorption, with adsorption energies of -1.116 eV, (N-COF-CFN) -1.415 eV, (N-COF-S-CFN), and − 1.687 eV (N-COF-Si-CFN). These findings suggest that specific heteroatom doping can significantly enhance the adsorption capacity of COF for ciprofloxacin. COF DFT Pharmaceutical pollutant Ciprofloxacin Adsorption Full Text Additional Declarations No competing interests reported. Supplementary Files CFNSupportinginformation.docx Cite Share Download PDF Status: Under Review Version 1 posted Reviews received at journal 03 May, 2026 Reviewers agreed at journal 22 Apr, 2026 Reviewers agreed at journal 22 Apr, 2026 Reviewers invited by journal 22 Apr, 2026 Editor invited by journal 21 Apr, 2026 Editor assigned by journal 08 Apr, 2026 Submission checks completed at journal 08 Apr, 2026 First submitted to journal 05 Apr, 2026 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. 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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-9324385","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":631148850,"identity":"aeddef1d-c1aa-42f1-8e8a-10b0b0ab1451","order_by":0,"name":"Okpanachi Nuhu Oyibo","email":"data:image/png;base64,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","orcid":"","institution":"University of Nigeria","correspondingAuthor":true,"prefix":"","firstName":"Okpanachi","middleName":"Nuhu","lastName":"Oyibo","suffix":""},{"id":631148852,"identity":"33c2ae78-db5b-4cd7-a199-8f557f260844","order_by":1,"name":"Lubem Aondoakaa","email":"","orcid":"","institution":"University of Calabar","correspondingAuthor":false,"prefix":"","firstName":"Lubem","middleName":"","lastName":"Aondoakaa","suffix":""},{"id":631148860,"identity":"839f1fe7-555d-43fd-a289-54df9e63ff75","order_by":2,"name":"Maryann A. 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