{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,4]],"date-time":"2026-11-04T23:22:01Z","timestamp":1793834521884,"version":"4.6.1"},"reference-count":45,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,11,17]],"date-time":"2025-11-17T00:00:00Z","timestamp":1763337600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100014738","name":"Vision Group on Science and Technology","doi-asserted-by":"publisher","award":["1110"],"award-info":[{"award-number":["1110"]}],"id":[{"id":"10.13039\/501100014738","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Ultrasonics Sonochemistry"],"published-print":{"date-parts":[[2025,12]]},"DOI":"10.1016\/j.ultsonch.2025.107686","type":"journal-article","created":{"date-parts":[[2025,11,23]],"date-time":"2025-11-23T15:21:15Z","timestamp":1763911275000},"page":"107686","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":12,"special_numbering":"C","title":["Encapsulation of curcumin in groundnut oil-in-water (O\/W) nanoemulsions: Experimental analysis and molecular dynamics simulations"],"prefix":"10.1016","volume":"123","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-3231-174X","authenticated-orcid":false,"given":"Gerard Nathan","family":"Mathias","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"K Vamshi","family":"Krishna Goud","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8460-7990","authenticated-orcid":false,"given":"Srikanth","family":"Divi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anoop Kishore","family":"Vatti","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7216-7227","authenticated-orcid":false,"given":"Jitendra","family":"Carpenter","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sivakumar","family":"Manickam","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"1","key":"10.1016\/j.ultsonch.2025.107686_b0005","doi-asserted-by":"crossref","first-page":"673","DOI":"10.1515\/epoly-2020-0042","article-title":"Curcumin-loaded polyvinyl butyral film with antibacterial activity","volume":"20","author":"Qiao","year":"2020","journal-title":"E-Polymers"},{"issue":"3","key":"10.1016\/j.ultsonch.2025.107686_b0010","doi-asserted-by":"crossref","first-page":"190","DOI":"10.2174\/092986710790149738","article-title":"Curcumin as an anticancer agent: review of the gap between basic and clinical applications","volume":"17","author":"Bar-Sela","year":"2010","journal-title":"Curr. Med. Chem."},{"issue":"10","key":"10.1016\/j.ultsonch.2025.107686_b0015","doi-asserted-by":"crossref","DOI":"10.1111\/ijcp.14280","article-title":"Curcumin and rheumatoid arthritis: a systematic review of literature","volume":"75","author":"Pourhabibi-Zarandi","year":"2021","journal-title":"Int. J. Clin. Pract."},{"key":"10.1016\/j.ultsonch.2025.107686_b0020","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1016\/j.phrs.2017.03.001","article-title":"Curcumin as a potential protective compound against cardiac diseases","volume":"119","author":"Jiang","year":"2017","journal-title":"Pharmacol. Res."},{"issue":"1","key":"10.1016\/j.ultsonch.2025.107686_b0025","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/s12885-017-3058-2","article-title":"Curcumin decreases malignant characteristics of glioblastoma stem cells via induction of reactive oxygen species","volume":"17","author":"Gersey","year":"2017","journal-title":"BMC Cancer"},{"key":"10.1016\/j.ultsonch.2025.107686_b0030","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/j.tifs.2017.11.009","article-title":"Recent advances in emulsion-based delivery approaches for curcumin: from encapsulation to bioaccessibility","volume":"71","author":"Araiza-Calahorra","year":"2018","journal-title":"Trends Food Sci. Technol."},{"key":"10.1016\/j.ultsonch.2025.107686_b0035","doi-asserted-by":"crossref","DOI":"10.1016\/j.foodres.2020.109035","article-title":"Recent advances in encapsulation of curcumin in nanoemulsions: a review of encapsulation technologies, bioaccessibility and applications","volume":"132","author":"Jiang","year":"2020","journal-title":"Food Res. Int."},{"issue":"2","key":"10.1016\/j.ultsonch.2025.107686_b0040","doi-asserted-by":"crossref","DOI":"10.1016\/j.heliyon.2022.e08974","article-title":"Preparation and characterisation of nanoemulsions of curcumin and echium oil","volume":"8","author":"Inal","year":"2022","journal-title":"Heliyon"},{"issue":"3","key":"10.1016\/j.ultsonch.2025.107686_b0045","doi-asserted-by":"crossref","first-page":"N745","DOI":"10.1111\/1750-3841.13224","article-title":"Development of food-grade curcumin nanoemulsion and its potential application to food beverage system: antioxidant property and in vitro digestion","volume":"81","author":"Joung","year":"2016","journal-title":"J. Food Sci."},{"issue":"8","key":"10.1016\/j.ultsonch.2025.107686_b0050","doi-asserted-by":"crossref","first-page":"1525","DOI":"10.1021\/acs.jafc.6b04815","article-title":"physical and chemical stability of curcumin in aqueous solutions and emulsions: impact of PH, temperature, and molecular environment","volume":"65","author":"Kharat","year":"2017","journal-title":"J. Agric. Food Chem."},{"issue":"1","key":"10.1016\/j.ultsonch.2025.107686_b0055","doi-asserted-by":"crossref","first-page":"149","DOI":"10.3390\/foods10010149","article-title":"Effects of emulsifier type and post-treatment on stability, curcumin protection, and sterilisation ability of nanoemulsions","volume":"10","author":"Li","year":"2021","journal-title":"Foods"},{"key":"10.1016\/j.ultsonch.2025.107686_b0060","doi-asserted-by":"crossref","DOI":"10.1016\/j.foodres.2022.111475","article-title":"Encapsulation of curcumin within oil-in-water emulsions prepared by premix membrane emulsification: impact of droplet size and carrier oil on the chemical stability of curcumin","volume":"157","author":"Jiang","year":"2022","journal-title":"Food Res. Int."},{"issue":"33","key":"10.1016\/j.ultsonch.2025.107686_b0065","doi-asserted-by":"crossref","first-page":"10866","DOI":"10.1021\/acs.langmuir.9b01523","article-title":"Curcumin encapsulation in multilayer oil-in-water emulsion: synthesis using ultrasonication and studies on stability and antioxidant and release activities","volume":"35","author":"Carpenter","year":"2019","journal-title":"Langmuir"},{"key":"10.1016\/j.ultsonch.2025.107686_b0070","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/j.foodhyd.2017.05.022","article-title":"Impact of delivery system type on curcumin stability: comparison of curcumin degradation in aqueous solutions, emulsions, and hydrogel beads","volume":"71","author":"Zheng","year":"2017","journal-title":"Food Hydrocoll."},{"key":"10.1016\/j.ultsonch.2025.107686_b0075","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1016\/j.foodhyd.2015.07.025","article-title":"In vitro behaviour of curcumin nanoemulsions stabilised by biopolymer emulsifiers\u2013effect of interfacial composition","volume":"52","author":"Pinheiro","year":"2016","journal-title":"Food Hydrocoll."},{"issue":"11","key":"10.1016\/j.ultsonch.2025.107686_b0080","doi-asserted-by":"crossref","first-page":"3147","DOI":"10.1039\/c3sm27527b","article-title":"Unravelling the behaviour of curcumin nanoemulsions during in vitro digestion: effect of the surface charge","volume":"9","author":"Pinheiro","year":"2013","journal-title":"Soft Matter"},{"issue":"1","key":"10.1016\/j.ultsonch.2025.107686_b0085","doi-asserted-by":"crossref","first-page":"41","DOI":"10.3844\/ajidsp.2012.41.49","article-title":"Development of curcumin based ophthalmic formulation","volume":"8","author":"Anjana","year":"2012","journal-title":"Am. J. Infect. Dis."},{"key":"10.1016\/j.ultsonch.2025.107686_b0090","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/j.lwt.2019.05.012","article-title":"Developing curcumin nanoemulsions by high-intensity methods: Impact of ultrasonication and microfluidization parameters","volume":"111","author":"Paez-Hern\u00e1ndez","year":"2019","journal-title":"LWT"},{"issue":"4","key":"10.1016\/j.ultsonch.2025.107686_b0095","first-page":"1","article-title":"Method to produce curcumin oil-in-water nanoemulsions as templates for drug carriers","volume":"6","author":"Marin","year":"2016","journal-title":"J. Biotechnol. Biomater."},{"key":"10.1016\/j.ultsonch.2025.107686_b0100","series-title":"Encapsulation of Active Molecules and Their Delivery System","first-page":"23","article-title":"Ultrasonic cavitation assisted synthesis of multilayer emulsions as encapsulating and delivery systems for bioactive compounds","author":"Carpenter","year":"2020"},{"key":"10.1016\/j.ultsonch.2025.107686_b0105","doi-asserted-by":"crossref","first-page":"422","DOI":"10.1016\/j.ultsonch.2016.10.021","article-title":"Ultrasonic assisted formation and stability of mustard oil in water nanoemulsion: effect of process parameters and their optimisation","volume":"35","author":"Carpenter","year":"2017","journal-title":"Ultrason. Sonochem."},{"issue":"6","key":"10.1016\/j.ultsonch.2025.107686_b0110","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1016\/j.ultsonch.2009.02.008","article-title":"Minimising oil droplet size using ultrasonic emulsification","volume":"16","author":"Leong","year":"2009","journal-title":"Ultrason. Sonochem."},{"issue":"4","key":"10.1016\/j.ultsonch.2025.107686_b0115","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1111\/j.2042-7158.1971.tb08653.x","article-title":"Emulsion stabilisation by non\u2010ionic surfactants: experiment and theory","volume":"23","author":"Florence","year":"1971","journal-title":"J. Pharm. Pharmacol."},{"issue":"1","key":"10.1016\/j.ultsonch.2025.107686_b0120","doi-asserted-by":"crossref","first-page":"485","DOI":"10.1016\/j.ultsonch.2012.04.005","article-title":"Impact of process parameters in the generation of novel aspirin nanoemulsions\u2013comparative studies between ultrasound cavitation and microfluidiser","volume":"20","author":"Tang","year":"2013","journal-title":"Ultrason. Sonochem."},{"key":"10.1016\/j.ultsonch.2025.107686_b0125","doi-asserted-by":"crossref","first-page":"139","DOI":"10.1016\/j.cep.2018.01.006","article-title":"A comparative study of batch and recirculating flow ultrasonication system for preparation of multilayer olive oil in water emulsion stabilised with whey protein isolate and sodium alginate","volume":"125","author":"Carpenter","year":"2018","journal-title":"Chem. Eng. Process. - Process Intesif."},{"issue":"3","key":"10.1016\/j.ultsonch.2025.107686_b0130","first-page":"113","article-title":"Structure and dynamics of curcumin encapsulated lecithin micelles: a molecular dynamics simulation study","volume":"6","author":"Hakim","year":"2021","journal-title":"Sci. Technol."},{"key":"10.1016\/j.ultsonch.2025.107686_b0135","doi-asserted-by":"crossref","DOI":"10.1016\/j.colsurfa.2024.134211","article-title":"Exploring curcumin interaction with PLGA nanoparticles via various functional groups: a dispersion-corrected density functional theory and molecular dynamics simulation approach","volume":"695","author":"Alenazi","year":"2024","journal-title":"Colloids Surf A Physicochem Eng Asp"},{"key":"10.1016\/j.ultsonch.2025.107686_b0140","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2021.115862","article-title":"Molecular dynamics simulation study of curcumin interaction with nano-micelle of PNIPAAm-b-PEG co-polymer as a smart efficient drug delivery system","volume":"332","author":"Rezaeisadat","year":"2021","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.ultsonch.2025.107686_b0145","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2022.119753","article-title":"Molecular dynamics study of plant bioactive nutraceutical keto-Curcumin encapsulated in medium chain triglyceride oil-in-Water nanoemulsion that are stabilised by globular whey proteins","volume":"362","author":"Sharmila","year":"2022","journal-title":"J. Mol. Liq."},{"issue":"21","key":"10.1016\/j.ultsonch.2025.107686_b0150","doi-asserted-by":"crossref","first-page":"12506","DOI":"10.1039\/C7NJ02612A","article-title":"Study of curcumin antioxidant activities in robust oil\u2013water nanoemulsions","volume":"41","author":"Malik","year":"2017","journal-title":"New J. Chem."},{"issue":"2","key":"10.1016\/j.ultsonch.2025.107686_b0155","doi-asserted-by":"crossref","first-page":"799","DOI":"10.1016\/j.foodchem.2011.11.039","article-title":"Nanoemulsion-and emulsion-based delivery systems for curcumin: encapsulation and release properties","volume":"132","author":"Ahmed","year":"2012","journal-title":"Food Chem."},{"issue":"23","key":"10.1016\/j.ultsonch.2025.107686_b0160","doi-asserted-by":"crossref","first-page":"10212","DOI":"10.1021\/acs.iecr.4c00506","article-title":"Impact of ultrasonication on the oxidative stability of oil-in-water nanoemulsions: Investigations into kinetics and strategies to control lipid oxidation","volume":"63","author":"Ganguly","year":"2024","journal-title":"Ind. Eng. Chem. Res."},{"issue":"44","key":"10.1016\/j.ultsonch.2025.107686_b0165","doi-asserted-by":"crossref","first-page":"21101","DOI":"10.1021\/acs.iecr.5c03360","article-title":"Lipid degradation in sunflower oil in water nanoemulsion: understanding the kinetics and role of ultrasonication","volume":"64","author":"Carpenter","year":"2025","journal-title":"Ind. Eng. Chem. Res."},{"key":"10.1016\/j.ultsonch.2025.107686_b0170","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/j.cep.2014.12.006","article-title":"Ultrasound assisted preparation of emulsion of coconut oil in water: Understanding the effect of operating parameters and comparison of reactor designs","volume":"88","author":"Ramisetty","year":"2015","journal-title":"Chem. Eng. Process."},{"key":"10.1016\/j.ultsonch.2025.107686_b0175","article-title":"Preparation of lipid nanoemulsions incorporating curcumin for cancer therapy","volume":"1","author":"Songyot","year":"2012","journal-title":"J. Nanotechnol."},{"key":"10.1016\/j.ultsonch.2025.107686_b0180","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/j.cbi.2008.05.003","article-title":"Chemico-biological interactions antioxidant and radical scavenging properties of curcumin","volume":"174","author":"Ak","year":"2008","journal-title":"Chem. Biol. Interact."},{"issue":"5","key":"10.1016\/j.ultsonch.2025.107686_b0185","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1016\/j.ultsonch.2003.07.004","article-title":"High power ultrasound effects on lipid oxidation of refined sunflower oil","volume":"11","author":"Chemat","year":"2004","journal-title":"Ultrason. Sonochem."},{"key":"10.1016\/j.ultsonch.2025.107686_b0190","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/j.foodhyd.2007.12.006","article-title":"Effects of protein concentration and oil-phase volume fraction on the stability and rheology of menhaden oil-in-water emulsions stabilized by whey protein isolate with xanthan gum","volume":"23","author":"Sun","year":"2009","journal-title":"Food Hydrocoll."},{"key":"10.1016\/j.ultsonch.2025.107686_b0195","doi-asserted-by":"crossref","unstructured":"K. J. Bowers, E. Chow, H. Xu, R. O. Dror, M. P. Eastwood, B. A. Gregersen, J. L. Klepeis, I. Kolossvary, M. A. Moraes, F. D. Sacerdoti, J. K. Salmon, Y. Shan, D. E. Shaw. Scalable algorithms for molecular dynamics simulations on commodity clusters, in: Proceedings of the 2006 ACM\/IEEE Conference on Supercomputing, SC \u201906, ACM, New York, NY, USA, 2006. http:\/\/doi.acm.org\/10.1145\/1188455.1188544.","DOI":"10.1145\/1188455.1188544"},{"key":"10.1016\/j.ultsonch.2025.107686_b0200","unstructured":"Schr\u00f6dinger release 2024-2, Desmond Molecular Dynamics System, D. E. Shaw Research, Schr\u00f6dinger, LLC, New York, NY, 2024."},{"issue":"7","key":"10.1016\/j.ultsonch.2025.107686_b0205","doi-asserted-by":"crossref","first-page":"4291","DOI":"10.1021\/acs.jctc.1c00302","article-title":"Opls4: improving force field accuracy on challenging regimes of chemical space","volume":"17","author":"Lu","year":"2021","journal-title":"J. Chem. Theory Comput."},{"issue":"12","key":"10.1016\/j.ultsonch.2025.107686_b0210","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle mesh Ewald: an N.log (N) method for Ewald sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J. Chem. Phys."},{"issue":"19","key":"10.1016\/j.ultsonch.2025.107686_b0215","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","article-title":"A smooth particle mesh Ewald method","volume":"103","author":"Essmann","year":"1995","journal-title":"J. Chem. Phys."},{"issue":"41","key":"10.1016\/j.ultsonch.2025.107686_b0220","doi-asserted-by":"crossref","first-page":"16766","DOI":"10.1021\/acs.iecr.3c02345","article-title":"Understanding the effect of the oil-to-surfactant ratio on eugenol oil-in-water nanoemulsions using experimental and molecular dynamics investigations","volume":"62","author":"Debraj","year":"2023","journal-title":"Ind. Eng. Chem. Res."},{"key":"10.1016\/j.ultsonch.2025.107686_b0225","doi-asserted-by":"crossref","first-page":"2757","DOI":"10.1007\/978-3-642-16712-6_502","article-title":"Worm-like chain (WLC) model","author":"Milstein","year":"2013","journal-title":"Encyclopedia Biophys."}],"container-title":["Ultrasonics Sonochemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1350417725004651?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1350417725004651?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T15:21:02Z","timestamp":1778599262000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1350417725004651"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,12]]},"references-count":45,"alternative-id":["S1350417725004651"],"URL":"https:\/\/doi.org\/10.1016\/j.ultsonch.2025.107686","relation":{},"ISSN":["1350-4177"],"issn-type":[{"value":"1350-4177","type":"print"}],"subject":[],"published":{"date-parts":[[2025,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Encapsulation of curcumin in groundnut oil-in-water (O\/W) nanoemulsions: Experimental analysis and molecular dynamics simulations","name":"articletitle","label":"Article Title"},{"value":"Ultrasonics Sonochemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ultsonch.2025.107686","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 The Author(s). Published by Elsevier B.V.","name":"copyright","label":"Copyright"}],"article-number":"107686"}}