Novel Zirconium doped V2O5 nanoparticles for effective biological applications: an experimental and theoretical approach

Novel Zirconium doped V2O5 nanoparticles for effective biological applications: an experimental and theoretical approach | 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 Novel Zirconium doped V2O5 nanoparticles for effective biological applications: an experimental and theoretical approach Tamizharuvi T, Rajendran T.V., Mukta Sharma, Vetrivelan Vaithiyanathan, and 2 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7700511/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 17 Dec, 2025 Read the published version in BioNanoScience → Version 1 posted 9 You are reading this latest preprint version Abstract Vanadium oxide (V 2 O 5 ) is under great research in several fields, including batteries, solar cells, sensors, and electrochemical devices. Antibacterial drugs used excessively or mistreated have caused major health problems. Among the numerous antimicrobial agents (natural, organic, inorganic, etc.), inorganic antibacterial agents—especially V 2 O 5 —have attracted a lot of attention. Together with an analysis of their antibacterial activity, the present work describes the production of pure V 2 O 5 nanoparticles and Zr-doped V 2 O 5 nanoparticles using the precipitation method. Using X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Field Emission Scanning Electron Microscope (FE-SEM), Transmission Electron Microscope (TEM), and Photoluminescence spectroscopy (PL), the synthesized nanoparticles were thoroughly characterized. The XRD pattern confirmed the single-phase orthorhombic structure established for Zr-doped V 2 O 5 nanoparticles as well as for pure V 2 O 5 nanoparticles. Between 450 and 600 cm − 1 the FTIR vibration band supports the generation of V 2 O 5 nanoparticles. In the doped sample, the EDX spectra exposed elements V, Zr, and O. All of the room-temperature photoluminescence spectra had four main emission peaks: ultraviolet, violet, strong blue, and green, which indicated their better structural and optical qualities. Two Gram-positive pathogens, Bacillus subtilis and Staphylococcus aureus, as well as Gram-negative bacteria, especially Escherichia coli and Pseudomonas aeruginosa, were assessed for antibacterial activity against the generated V 2 O 5 nanoparticles and Zr-doped V 2 O 5 nanoparticles. With superoxide radicals mediating oxidative stress playing a fundamental role in the antibacterial process, Zr-doped V 2 O 5 nanoparticles showed much increased antibacterial activity compared to bare V 2 O 5 nanoparticles. Zr-doped V 2 O 5 nanoparticles demonstrate advantageous binding modes and affinities for the dihydrofolate reductase receptor according to in-silico molecular docking studies. To validate what was found in experiments along with understanding the biological significance of Zr@V 2 O 5 , a simulation involving density functional theory was conducted. Doping V2O5 photoluminescence antibacterial mechanism docking studies DFT Full Text Additional Declarations No competing interests reported. Tables 1 to 5 are available in the Supplementary Files section. Supplementary Files Tables.docx SupplementryFigures.docx Cite Share Download PDF Status: Published Journal Publication published 17 Dec, 2025 Read the published version in BioNanoScience → Version 1 posted Editorial decision: Revision requested 26 Oct, 2025 Reviews received at journal 25 Oct, 2025 Reviewers agreed at journal 18 Oct, 2025 Reviews received at journal 08 Oct, 2025 Reviewers agreed at journal 02 Oct, 2025 Reviewers invited by journal 01 Oct, 2025 Editor assigned by journal 01 Oct, 2025 Submission checks completed at journal 30 Sep, 2025 First submitted to journal 24 Sep, 2025 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-7700511","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":527984552,"identity":"1bd017cc-0a47-44a3-9671-787b194e2c97","order_by":0,"name":"Tamizharuvi T","email":"","orcid":"","institution":"Department of Chemistry, School of Science, Tamil Nadu Open University, Chennai, Tamil Nadu, India.","correspondingAuthor":false,"prefix":"","firstName":"Tamizharuvi","middleName":"","lastName":"T","suffix":""},{"id":527984553,"identity":"256f8ebc-be5f-462a-8105-b490a30603e5","order_by":1,"name":"Rajendran T.V.","email":"","orcid":"","institution":"Department of Chemistry, SRM Institute of Science and Technology, Ramapuram, Chennai - 600089, Tamil Nadu, India.","correspondingAuthor":false,"prefix":"","firstName":"Rajendran","middleName":"","lastName":"T.V.","suffix":""},{"id":527984554,"identity":"17a3be7c-bb20-4e09-acda-aef679ebbe05","order_by":2,"name":"Mukta Sharma","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA3ElEQVRIiWNgGAWjYFACNhBxgIGBvQEqcICwFsYGsDIekNIEsBbGBjzqkbRIJBCpRXdGWvqDH3/u5OvOfHvwM+8PBjm+Gwnsj3nwaDG7kXawsbftmeW223nJ0jwJDMaSNxIYm/FrSW9s4G04bGB2O8eMGaglcQNISw4BLY1//gC13DwD1lJPhJa0g808bEAtN3jAWhIMCGo58yxxtmwbUMuZHGPJOWkShjPPPGyc/QefluNpBh/fgBx2/Izhhzc2NvJ8x5MPfJyBRws6kABiQjE5CkbBKBgFo4AgAAAh5lX/7EtnMAAAAABJRU5ErkJggg==","orcid":"","institution":"Graduate Institute, Prospective Technology of Electrical Engineering and Computer Science, National Chin-Yi University, Taichung 411030, Taiwan (ROC)","correspondingAuthor":true,"prefix":"","firstName":"Mukta","middleName":"","lastName":"Sharma","suffix":""},{"id":527984555,"identity":"eb109eb9-1a91-4b07-8b8e-fb29e0cb21f8","order_by":3,"name":"Vetrivelan Vaithiyanathan","email":"","orcid":"","institution":"Department of Physics, Government College of Engineering Srirangam, Tiruchirapalli 620012, Tamil Nadu, India","correspondingAuthor":false,"prefix":"","firstName":"Vetrivelan","middleName":"","lastName":"Vaithiyanathan","suffix":""},{"id":527984556,"identity":"fb0613a7-7c2c-4d1a-9c17-9462dc43c01d","order_by":4,"name":"Gopika U","email":"","orcid":"","institution":"CGHR, Saveetha Medical College and Hospital, Chennai, Tamil Nadu, India","correspondingAuthor":false,"prefix":"","firstName":"Gopika","middleName":"","lastName":"U","suffix":""},{"id":527984557,"identity":"032170ad-5e05-4ae7-8f99-e7919294ce07","order_by":5,"name":"Rajabhuvaneswari A","email":"","orcid":"","institution":"Department of Chemistry, Karpaga Vinayaga College of Engineering and Technology, Padlam, Tanil Nadu, India","correspondingAuthor":false,"prefix":"","firstName":"Rajabhuvaneswari","middleName":"","lastName":"A","suffix":""}],"badges":[],"createdAt":"2025-09-24 07:23:15","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-7700511/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-7700511/v1","draftVersion":[],"editorialEvents":[{"content":"https://doi.org/10.1007/s12668-025-02312-8","type":"published","date":"2025-12-17T15:58:03+00:00"}],"editorialNote":"","failedWorkflow":false,"files":[{"id":93622461,"identity":"3416fa3b-b55c-47de-b17a-19f5d7cd5013","added_by":"auto","created_at":"2025-10-15 18:11:18","extension":"docx","order_by":0,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":56250,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript24Sept25.docx","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/bf9eade8cc1dd7c1ba781f5d.docx"},{"id":93622472,"identity":"805671ed-1683-4081-884c-e46b0692df06","added_by":"auto","created_at":"2025-10-15 18:11:19","extension":"docx","order_by":1,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":1041481,"visible":true,"origin":"","legend":"","description":"","filename":"Figures.docx","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/17d1012776e7547f70ffe95e.docx"},{"id":93622462,"identity":"28d852b1-3fa7-4cdd-95c5-e6cb20360459","added_by":"auto","created_at":"2025-10-15 18:11:18","extension":"docx","order_by":2,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":30564,"visible":true,"origin":"","legend":"","description":"","filename":"Tables.docx","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/026ae8949ebe0e4bc8efb8f1.docx"},{"id":93621354,"identity":"0f3ab309-55b4-4069-a519-cd5b80cc1f3e","added_by":"auto","created_at":"2025-10-15 18:03:18","extension":"json","order_by":3,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":8287,"visible":true,"origin":"","legend":"","description":"","filename":"066088caedf44ba2b90f8dcdd60ac559.json","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/c53199059c9ad155a5b22bb0.json"},{"id":93622813,"identity":"4c9939c5-218e-4587-ac7c-895284b6b043","added_by":"auto","created_at":"2025-10-15 18:19:18","extension":"docx","order_by":4,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":489086,"visible":true,"origin":"","legend":"","description":"","filename":"SupplementryFigures.docx","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/d68608310ff3929549a51f45.docx"},{"id":93623377,"identity":"3306c9f5-d0da-4f0e-a179-87a09a9c9c16","added_by":"auto","created_at":"2025-10-15 18:27:18","extension":"xml","order_by":5,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":128988,"visible":true,"origin":"","legend":"","description":"","filename":"066088caedf44ba2b90f8dcdd60ac5591enriched.xml","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/5a2fb9999ac9ccd8249fe33c.xml"},{"id":93623534,"identity":"d2d2f9c7-368d-4d9c-a7d1-ca9e28971c7c","added_by":"auto","created_at":"2025-10-15 18:35:18","extension":"eps","order_by":6,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":405,"visible":true,"origin":"","legend":"","description":"","filename":"drawingimage1.eps","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/54afb4369bda29606983654b.eps"},{"id":93622463,"identity":"ddc16ca7-9455-4f86-8e9a-db33e0ff6865","added_by":"auto","created_at":"2025-10-15 18:11:18","extension":"eps","order_by":7,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":422,"visible":true,"origin":"","legend":"","description":"","filename":"drawingimage2.eps","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/8d30461bb7af6d447de8f780.eps"},{"id":93681985,"identity":"3b87db47-0943-4d19-896f-5a599b0e78a2","added_by":"auto","created_at":"2025-10-16 12:30:18","extension":"jpeg","order_by":8,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":116036,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage1.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/438846c76ed1f256c8837fce.jpeg"},{"id":93621369,"identity":"4c08b07c-10e7-422a-9216-b7c06815e39c","added_by":"auto","created_at":"2025-10-15 18:03:19","extension":"jpeg","order_by":9,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":295774,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage2.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/a1d1ef6da8d0fb9870da2239.jpeg"},{"id":93621366,"identity":"ff9ab8ee-959d-45f9-ae38-7f76ccb07d9b","added_by":"auto","created_at":"2025-10-15 18:03:18","extension":"jpeg","order_by":10,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":303624,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage3.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/2a6d1e5bd8c26083bb8456d2.jpeg"},{"id":93621368,"identity":"59b622b7-e210-4c80-93c6-6bd27c280c5f","added_by":"auto","created_at":"2025-10-15 18:03:19","extension":"jpeg","order_by":11,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":177939,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage4.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/3ee28d3ac4c18b2732fb11f2.jpeg"},{"id":93622820,"identity":"81713925-e8a4-4e40-b462-3bd26e18d334","added_by":"auto","created_at":"2025-10-15 18:19:19","extension":"jpeg","order_by":12,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":255106,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage5.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/2a0763491f3a1b29375c0f16.jpeg"},{"id":93623380,"identity":"765256df-64f3-4fb1-8f6e-44cc7a6212db","added_by":"auto","created_at":"2025-10-15 18:27:19","extension":"jpeg","order_by":13,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":25778,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage6.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/efb2f06204f1798f8bf7a032.jpeg"},{"id":93622469,"identity":"e7c74298-5884-4aeb-b6ca-ebb2eed47d58","added_by":"auto","created_at":"2025-10-15 18:11:19","extension":"jpeg","order_by":14,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":24805,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage7.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/0bd82592e1e92225902a34d8.jpeg"},{"id":93622470,"identity":"f5334f13-a512-40bd-ab14-5ef97949c43f","added_by":"auto","created_at":"2025-10-15 18:11:19","extension":"png","order_by":15,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":26752,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage1.png","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/4089c826b8d323d44543b1e9.png"},{"id":93621374,"identity":"ea1099d0-0a9c-488d-85ed-66f0ff55f76c","added_by":"auto","created_at":"2025-10-15 18:03:19","extension":"png","order_by":16,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":47306,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage2.png","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/c39f74686f91fe1bdd15bbfd.png"},{"id":93622819,"identity":"e81c622d-537a-42f6-a93c-2cd46efd5e77","added_by":"auto","created_at":"2025-10-15 18:19:19","extension":"png","order_by":17,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":598862,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage3.png","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/3c774631c763fd36143e92a5.png"},{"id":93622465,"identity":"29f8b3b9-0276-4e5a-9919-8583efa3a852","added_by":"auto","created_at":"2025-10-15 18:11:18","extension":"png","order_by":18,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":77492,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage4.png","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/fcc13785fdc6b35a690d214f.png"},{"id":93621361,"identity":"e162c0a1-ec59-45df-99c6-38db49514927","added_by":"auto","created_at":"2025-10-15 18:03:18","extension":"png","order_by":19,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":123133,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage5.png","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/7aeac44d8e6ff09a22e37d77.png"},{"id":93622475,"identity":"33a39c9b-2aa0-41a9-874f-7e69fc343cf9","added_by":"auto","created_at":"2025-10-15 18:11:19","extension":"png","order_by":20,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":13693,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage6.png","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/0fe3bd31c2d683a2e8b7534d.png"},{"id":93622817,"identity":"2c1f666a-ebf8-47e9-a78c-4d0848c049c0","added_by":"auto","created_at":"2025-10-15 18:19:19","extension":"png","order_by":21,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":25296,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage7.png","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/394e2b9439335564e1365120.png"},{"id":93621378,"identity":"7c5edcc5-8d13-4fed-8f2e-2995e9215473","added_by":"auto","created_at":"2025-10-15 18:03:19","extension":"xml","order_by":22,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":129029,"visible":true,"origin":"","legend":"","description":"","filename":"066088caedf44ba2b90f8dcdd60ac5591structuring.xml","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/0be11cde462ca5a9144e0034.xml"},{"id":93621379,"identity":"b6a81163-5651-4095-b04d-3ae4def6215b","added_by":"auto","created_at":"2025-10-15 18:03:19","extension":"html","order_by":23,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":137657,"visible":true,"origin":"","legend":"","description":"","filename":"earlyproof.html","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/91233dd5ebd8cb49798f5366.html"},{"id":98814160,"identity":"bae325fb-0ffc-467a-b8b7-394e76edfb4c","added_by":"auto","created_at":"2025-12-22 16:11:43","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1013768,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript24Sept2511.pdf","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1_covered_e6db7855-b3f0-4ec8-aeb7-c5be6b301464.pdf"},{"id":93621356,"identity":"4a2ba63b-ffaa-4f09-8608-3ddc2be7a2cd","added_by":"auto","created_at":"2025-10-15 18:03:18","extension":"docx","order_by":0,"title":"","display":"","copyAsset":false,"role":"supplement","size":30564,"visible":true,"origin":"","legend":"","description":"","filename":"Tables.docx","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/d3f91ee861bdc1923d542b1f.docx"},{"id":93621358,"identity":"367f6e12-cfd3-4319-9871-e0df3009ec61","added_by":"auto","created_at":"2025-10-15 18:03:18","extension":"docx","order_by":1,"title":"","display":"","copyAsset":false,"role":"supplement","size":489086,"visible":true,"origin":"","legend":"","description":"","filename":"SupplementryFigures.docx","url":"https://assets-eu.researchsquare.com/files/rs-7700511/v1/03659f0e20e77df02ecdd5fb.docx"}],"financialInterests":"\u003cp\u003eNo competing interests reported.\u003c/p\u003e\n\u003cp\u003eTables 1 to 5 are available in the Supplementary Files section.\u003c/p\u003e","formattedTitle":"Novel Zirconium doped V2O5 nanoparticles for effective biological applications: an experimental and theoretical approach","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"highlight":"","institution":"","isAcceptedByJournal":true,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"bionanoscience","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"bnsc","sideBox":"Learn more about [BioNanoScience](http://link.springer.com/journal/12668)","snPcode":"12668","submissionUrl":"https://submission.nature.com/new-submission/12668/3","title":"BioNanoScience","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"em","reportingPortfolio":"Springer Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false},"keywords":"Doping, V2O5, photoluminescence, antibacterial mechanism, docking studies, DFT","lastPublishedDoi":"10.21203/rs.3.rs-7700511/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7700511/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eVanadium oxide (V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e) is under great research in several fields, including batteries, solar cells, sensors, and electrochemical devices. Antibacterial drugs used excessively or mistreated have caused major health problems. Among the numerous antimicrobial agents (natural, organic, inorganic, etc.), inorganic antibacterial agents\u0026mdash;especially V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e\u0026mdash;have attracted a lot of attention. Together with an analysis of their antibacterial activity, the present work describes the production of pure V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles and Zr-doped V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles using the precipitation method. Using X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Field Emission Scanning Electron Microscope (FE-SEM), Transmission Electron Microscope (TEM), and Photoluminescence spectroscopy (PL), the synthesized nanoparticles were thoroughly characterized. The XRD pattern confirmed the single-phase orthorhombic structure established for Zr-doped V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles as well as for pure V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles. Between 450 and 600 cm\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e the FTIR vibration band supports the generation of V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles. In the doped sample, the EDX spectra exposed elements V, Zr, and O. All of the room-temperature photoluminescence spectra had four main emission peaks: ultraviolet, violet, strong blue, and green, which indicated their better structural and optical qualities. Two Gram-positive pathogens, Bacillus subtilis and Staphylococcus aureus, as well as Gram-negative bacteria, especially Escherichia coli and Pseudomonas aeruginosa, were assessed for antibacterial activity against the generated V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles and Zr-doped V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles. With superoxide radicals mediating oxidative stress playing a fundamental role in the antibacterial process, Zr-doped V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles showed much increased antibacterial activity compared to bare V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles. Zr-doped V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e nanoparticles demonstrate advantageous binding modes and affinities for the dihydrofolate reductase receptor according to in-silico molecular docking studies. To validate what was found in experiments along with understanding the biological significance of Zr@V\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e, a simulation involving density functional theory was conducted.\u003c/p\u003e","manuscriptTitle":"Novel Zirconium doped V2O5 nanoparticles for effective biological applications: an experimental and theoretical approach","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-10-15 18:03:14","doi":"10.21203/rs.3.rs-7700511/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"Revision requested","date":"2025-10-26T13:59:53+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-10-25T10:05:07+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"227933752657801860032421624608561780783","date":"2025-10-18T09:24:31+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-10-08T20:37:22+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"82126375436394349055881387421879984389","date":"2025-10-02T18:41:25+00:00","index":"hide","fulltext":""},{"type":"reviewersInvited","content":"","date":"2025-10-01T06:54:41+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2025-10-01T06:49:47+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2025-09-30T09:22:05+00:00","index":"","fulltext":""},{"type":"submitted","content":"BioNanoScience","date":"2025-09-24T07:08:55+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"bionanoscience","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"bnsc","sideBox":"Learn more about [BioNanoScience](http://link.springer.com/journal/12668)","snPcode":"12668","submissionUrl":"https://submission.nature.com/new-submission/12668/3","title":"BioNanoScience","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"em","reportingPortfolio":"Springer Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"95d2870e-b6c1-4e0d-b0eb-97e22ef0c83f","owner":[],"postedDate":"October 15th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"published-in-journal","subjectAreas":[],"tags":[],"updatedAt":"2025-12-22T16:05:46+00:00","versionOfRecord":{"articleIdentity":"rs-7700511","link":"https://doi.org/10.1007/s12668-025-02312-8","journal":{"identity":"bionanoscience","isVorOnly":false,"title":"BioNanoScience"},"publishedOn":"2025-12-17 15:58:03","publishedOnDateReadable":"December 17th, 2025"},"versionCreatedAt":"2025-10-15 18:03:14","video":"","vorDoi":"10.1007/s12668-025-02312-8","vorDoiUrl":"https://doi.org/10.1007/s12668-025-02312-8","workflowStages":[]},"version":"v1","identity":"rs-7700511","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7700511","identity":"rs-7700511","version":["v1"]},"buildId":"XKTyCvWXoU3ODBz1xrDgd","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}