{"title":"实验和分子动力学方法都强调了界面水在辐照金纳米粒子产生自由基过程中的核心作用","authors":"Emilie Brun, Rika Tandiana, Manon Gilles, Yannis Cheref, Nguyen-Thi Van-Oanh, Carine Clavaguera, Cécile Sicard-Roselli","doi":"10.1088/1361-6455/ad2e28","DOIUrl":null,"url":null,"abstract":"Nanoparticles devoted to improve radiotherapy treatments are an efficient tool if they can induce the formation of deleterious species in the tumor. Their interaction with radiation is responsible for radical production but in spite of the numerous studies mostly with cells, no consensus has been reached about radical formation mechanism. In order to gain knowledge in the physico-chemical step of this phenomenon, we applied a very sensitive test to quantify hydroxyl radicals and electrons produced when gold atoms, organized as nanoparticles or as a salt in solution, are irradiated by keV and MeV photons (x- and <italic toggle=\"yes\">γ</italic>- rays). The crucial role of interfacial water is suggested to explain the high quantity of radicals measured for nanoparticles. These experimental data were supplemented by classical molecular dynamics simulations, revealing a specific organization of the water hydrogen bonding network at the nanoparticle surface which could be a key component in the mechanism of radical production by irradiated colloidal suspensions.","PeriodicalId":16826,"journal":{"name":"Journal of Physics B: Atomic, Molecular and Optical Physics","volume":null,"pages":null},"PeriodicalIF":1.5000,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Both experimental and molecular dynamics approaches highlight the central role of interfacial water for radical production by irradiated gold nanoparticles\",\"authors\":\"Emilie Brun, Rika Tandiana, Manon Gilles, Yannis Cheref, Nguyen-Thi Van-Oanh, Carine Clavaguera, Cécile Sicard-Roselli\",\"doi\":\"10.1088/1361-6455/ad2e28\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Nanoparticles devoted to improve radiotherapy treatments are an efficient tool if they can induce the formation of deleterious species in the tumor. Their interaction with radiation is responsible for radical production but in spite of the numerous studies mostly with cells, no consensus has been reached about radical formation mechanism. In order to gain knowledge in the physico-chemical step of this phenomenon, we applied a very sensitive test to quantify hydroxyl radicals and electrons produced when gold atoms, organized as nanoparticles or as a salt in solution, are irradiated by keV and MeV photons (x- and <italic toggle=\\\"yes\\\">γ</italic>- rays). The crucial role of interfacial water is suggested to explain the high quantity of radicals measured for nanoparticles. These experimental data were supplemented by classical molecular dynamics simulations, revealing a specific organization of the water hydrogen bonding network at the nanoparticle surface which could be a key component in the mechanism of radical production by irradiated colloidal suspensions.\",\"PeriodicalId\":16826,\"journal\":{\"name\":\"Journal of Physics B: Atomic, Molecular and Optical Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.5000,\"publicationDate\":\"2024-03-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Physics B: Atomic, Molecular and Optical Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1088/1361-6455/ad2e28\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"OPTICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Physics B: Atomic, Molecular and Optical Physics","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1088/1361-6455/ad2e28","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"OPTICS","Score":null,"Total":0}
Both experimental and molecular dynamics approaches highlight the central role of interfacial water for radical production by irradiated gold nanoparticles
Nanoparticles devoted to improve radiotherapy treatments are an efficient tool if they can induce the formation of deleterious species in the tumor. Their interaction with radiation is responsible for radical production but in spite of the numerous studies mostly with cells, no consensus has been reached about radical formation mechanism. In order to gain knowledge in the physico-chemical step of this phenomenon, we applied a very sensitive test to quantify hydroxyl radicals and electrons produced when gold atoms, organized as nanoparticles or as a salt in solution, are irradiated by keV and MeV photons (x- and γ- rays). The crucial role of interfacial water is suggested to explain the high quantity of radicals measured for nanoparticles. These experimental data were supplemented by classical molecular dynamics simulations, revealing a specific organization of the water hydrogen bonding network at the nanoparticle surface which could be a key component in the mechanism of radical production by irradiated colloidal suspensions.
期刊介绍:
Published twice-monthly (24 issues per year), Journal of Physics B: Atomic, Molecular and Optical Physics covers the study of atoms, ions, molecules and clusters, and their structure and interactions with particles, photons or fields. The journal also publishes articles dealing with those aspects of spectroscopy, quantum optics and non-linear optics, laser physics, astrophysics, plasma physics, chemical physics, optical cooling and trapping and other investigations where the objects of study are the elementary atomic, ionic or molecular properties of processes.