Numerical Study of Optical and Photothermal Properties of SiO2@AgxAu1–x Core–Shell Nanoparticles for Prostate Cancer

IF 4.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of the American Ceramic Society Pub Date : 2026-05-28 DOI:10.1111/jace.70874

K. Abich, R. Masrour, A. Akouibaa, M. Benhamou

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A finite element method (FEM) framework was first validated by reproducing the surface plasmon resonance (SPR) peak positions of <math>\n <semantics>\n <mrow>\n <mi>A</mi>\n <msub>\n <mi>g</mi>\n <mi>x</mi>\n </msub>\n <mi>A</mi>\n <msub>\n <mi>u</mi>\n <mrow>\n <mn>1</mn>\n <mo>−</mo>\n <mi>x</mi>\n </mrow>\n </msub>\n </mrow>\n <annotation>${\\mathrm{A}}{{{\\mathrm{g}}}_x}{\\mathrm{A}}{{{\\mathrm{u}}}_{1 - x}}$</annotation>\n </semantics></math> alloy nanospheres in water (WM), with compositions ranging from x = 1 (Ag) to x = 1 (Au), showing excellent agreement with experimental data. Based on this validation, the <math>\n <semantics>\n <mrow>\n <mi>A</mi>\n <msub>\n <mi>g</mi>\n <mn>0.3</mn>\n </msub>\n <mi>A</mi>\n <msub>\n <mi>u</mi>\n <mn>0.7</mn>\n </msub>\n </mrow>\n <annotation>${\\mathrm{A}}{{{\\mathrm{g}}}_{0.3}}{\\mathrm{A}}{{{\\mathrm{u}}}_{0.7}}$</annotation>\n </semantics></math> alloy was selected as an optimal composition and incorporated as the shell material in <math>\n <semantics>\n <mrow>\n <mi>Si</mi>\n <msub>\n <mi>O</mi>\n <mn>2</mn>\n </msub>\n <mo>@</mo>\n <mi>A</mi>\n <msub>\n <mi>g</mi>\n <mn>0.3</mn>\n </msub>\n <mi>A</mi>\n <msub>\n <mi>u</mi>\n <mn>0.7</mn>\n </msub>\n </mrow>\n <annotation>${\\mathrm{Si}}{{{\\mathrm{O}}}_2}@{\\mathrm{A}}{{{\\mathrm{g}}}_{0.3}}{\\mathrm{A}}{{{\\mathrm{u}}}_{0.7}}$</annotation>\n </semantics></math> core@shell nanoparticles (CSNPs) to evaluate its optical and thermoplasmonic properties in WM, human prostate tissue (HPT), and tumorous prostate tissue (TPT). The geometric ratio <math>\n <semantics>\n <mrow>\n <mo>(</mo>\n <mi>β</mi>\n <mo>=</mo>\n <msub>\n <mi>R</mi>\n <mi>c</mi>\n </msub>\n <mo>/</mo>\n <msub>\n <mi>t</mi>\n <mi>s</mi>\n </msub>\n <mo>)</mo>\n </mrow>\n <annotation>$(\\beta = {{R}_{\\mathrm{c}}}/{{t}_{\\mathrm{s}}})$</annotation>\n </semantics></math> was systematically varied to optimize resonance within the near-infrared (NIR) therapeutic window to analyze plasmonic heating and identify a suitable configuration for PrC PTT. The <math>\n <semantics>\n <mrow>\n <mi>β</mi>\n <mo>=</mo>\n <mn>9</mn>\n </mrow>\n <annotation>$\\beta = 9$</annotation>\n </semantics></math> configuration <math>\n <semantics>\n <mrow>\n <mo>(</mo>\n <mrow>\n <mn>18</mn>\n <mo>@</mo>\n <mn>2</mn>\n <mrow>\n <mspace></mspace>\n <mi>nm</mi>\n </mrow>\n </mrow>\n <mo>)</mo>\n </mrow>\n <annotation>$( {18@2{\\mathrm{\\ nm}}} )$</annotation>\n </semantics></math> emerged as optimal for all studied biological media, shifting the SPR peak position and maximizing Joule heating efficiency, with <math>\n <semantics>\n <mrow>\n <msub>\n <mi>λ</mi>\n <mi>SPR</mi>\n </msub>\n <mo>=</mo>\n <mn>840</mn>\n <mrow>\n <mspace></mspace>\n <mi>nm</mi>\n </mrow>\n </mrow>\n <annotation>${{\\lambda }_{{\\mathrm{SPR}}}} = 840{\\mathrm{\\ nm}}$</annotation>\n </semantics></math> and <math>\n <semantics>\n <mrow>\n <msub>\n <mi>J</mi>\n <mn>0</mn>\n </msub>\n <mo>=</mo>\n <mn>163.528</mn>\n </mrow>\n <annotation>${{J}_0} = 163.528$</annotation>\n </semantics></math> specifically in HPT. A pronounced regime-dependent thermal response was observed: under continuous-wave (CW) irradiation at <math>\n <semantics>\n <mrow>\n <msub>\n <mi>I</mi>\n <mi>CW</mi>\n </msub>\n <mo>=</mo>\n <mn>3</mn>\n <mo>×</mo>\n <msup>\n <mn>10</mn>\n <mn>1</mn>\n </msup>\n <mrow>\n <mspace></mspace>\n <mi>W</mi>\n </mrow>\n <mo>/</mo>\n <mi>m</mi>\n <msup>\n <mi>m</mi>\n <mn>2</mn>\n </msup>\n </mrow>\n <annotation>${{I}_{{\\mathrm{CW}}}} = 3 \\times {{10}^1}{\\mathrm{\\ W}}/{\\mathrm{m}}{{{\\mathrm{m}}}^2}$</annotation>\n </semantics></math>, TPT reached the highest steady-state temperature <math>\n <semantics>\n <mrow>\n <mn>6</mn>\n <mo>.</mo>\n <msup>\n <mn>887</mn>\n <mo>∘</mo>\n </msup>\n <mi>C</mi>\n </mrow>\n <annotation>$6.887^\\circ {\\mathrm{C}}$</annotation>\n </semantics></math> (<math>\n <semantics>\n <mrow>\n <msub>\n <mi>T</mi>\n <mi>total</mi>\n </msub>\n <mo>=</mo>\n <mn>43</mn>\n <mo>.</mo>\n <msup>\n <mn>887</mn>\n <mo>∘</mo>\n </msup>\n <mrow>\n <mi>C</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>${{T}_{{\\mathrm{total}}}} = 43.887^\\circ {\\mathrm{C}})$</annotation>\n </semantics></math> due to its lower thermal conductivity. This temperature lies within the moderate hyperthermia range (42°C‒45°C) and considered favorable for PTT applications. In contrast, femtosecond (fs)-pulsed irradiation at <math>\n <semantics>\n <mrow>\n <msub>\n <mi>I</mi>\n <mi>fs</mi>\n </msub>\n <mo>=</mo>\n <mn>3</mn>\n <mi>W</mi>\n <mo>/</mo>\n <msup>\n <mi>mm</mi>\n <mn>2</mn>\n </msup>\n </mrow>\n <annotation>${I}_{\\mathrm{fs}}=3\\mathrm{W}/{\\mathrm{mm}}^{2}$</annotation>\n </semantics></math> produced a transient temperature rise of <math>\n <semantics>\n <mrow>\n <mn>14</mn>\n <mo>.</mo>\n <msup>\n <mn>154</mn>\n <mo>∘</mo>\n </msup>\n <mi>C</mi>\n </mrow>\n <annotation>$14.154^\\circ {\\mathrm{C}}$</annotation>\n </semantics></math> (<math>\n <semantics>\n <mrow>\n <msub>\n <mi>T</mi>\n <mi>total</mi>\n </msub>\n <mo>=</mo>\n <mn>51</mn>\n <mo>.</mo>\n <msup>\n <mn>154</mn>\n <mo>∘</mo>\n </msup>\n <mrow>\n <mi>C</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n <annotation>${{T}_{{\\mathrm{total}}}} = 51.154^\\circ {\\mathrm{C}})$</annotation>\n </semantics></math> in TPT at the initial instant <math>\n <semantics>\n <mrow>\n <mi>t</mi>\n <mo>=</mo>\n <mn>0</mn>\n <mrow>\n <mspace></mspace>\n <mi>ns</mi>\n </mrow>\n </mrow>\n <annotation>$t = 0{\\mathrm{\\ ns}}$</annotation>\n </semantics></math>, driven purely by optical absorption sensitivity. These findings highlight a dual-regime behavior: CW irradiation enables controlled mild hyperthermia, while fs-pulsed irradiation leads to enhanced localized heating effects, depending on the desired therapeutic regime. The <math>\n <semantics>\n <mrow>\n <mn>15</mn>\n <mrow>\n <mspace></mspace>\n <mi>nm</mi>\n </mrow>\n </mrow>\n <annotation>$15{\\mathrm{\\ nm}}$</annotation>\n </semantics></math> spectral shift between HPT and TPT further ensures selectivity, providing a versatile platform for high-precision, selective PTT of PrC.\n </div>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"109 6","pages":""},"PeriodicalIF":4.2000,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the American Ceramic Society","FirstCategoryId":"88","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1111/jace.70874","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, CERAMICS","Score":null,"Total":0}

引用次数: 0

Abstract

Targeted photothermal therapy (PTT) using plasmonic nanoparticles represents a promising minimally invasive approach for prostate cancer (PrC) treatment. A finite element method (FEM) framework was first validated by reproducing the surface plasmon resonance (SPR) peak positions of $A g_{x} A u_{1 - x}$ alloy nanospheres in water (WM), with compositions ranging from x = 1 (Ag) to x = 1 (Au), showing excellent agreement with experimental data. Based on this validation, the $A g_{0.3} A u_{0.7}$ alloy was selected as an optimal composition and incorporated as the shell material in $Si O_{2} @ A g_{0.3} A u_{0.7}$ core@shell nanoparticles (CSNPs) to evaluate its optical and thermoplasmonic properties in WM, human prostate tissue (HPT), and tumorous prostate tissue (TPT). The geometric ratio $(β = R_{c} / t_{s})$ was systematically varied to optimize resonance within the near-infrared (NIR) therapeutic window to analyze plasmonic heating and identify a suitable configuration for PrC PTT. The $β = 9$ configuration $(18 @ 2 nm)$ emerged as optimal for all studied biological media, shifting the SPR peak position and maximizing Joule heating efficiency, with $λ_{SPR} = 840 nm$ and $J_{0} = 163.528$ specifically in HPT. A pronounced regime-dependent thermal response was observed: under continuous-wave (CW) irradiation at $I_{CW} = 3 \times 10^{1} W / m m^{2}$ , TPT reached the highest steady-state temperature $6 . 887^{\circ} C$ ( $T_{total} = 43 . 887^{\circ} C)$ due to its lower thermal conductivity. This temperature lies within the moderate hyperthermia range (42°C‒45°C) and considered favorable for PTT applications. In contrast, femtosecond (fs)-pulsed irradiation at $I_{fs} = 3 W / {mm}^{2}$ produced a transient temperature rise of $14 . 154^{\circ} C$ ( $T_{total} = 51 . 154^{\circ} C)$ in TPT at the initial instant $t = 0 ns$ , driven purely by optical absorption sensitivity. These findings highlight a dual-regime behavior: CW irradiation enables controlled mild hyperthermia, while fs-pulsed irradiation leads to enhanced localized heating effects, depending on the desired therapeutic regime. The $15 nm$ spectral shift between HPT and TPT further ensures selectivity, providing a versatile platform for high-precision, selective PTT of PrC.

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用于前列腺癌的SiO2@AgxAu1 -x核壳纳米颗粒光学和光热性质的数值研究

等离子体纳米粒子靶向光热治疗（PTT）是一种很有前途的微创前列腺癌治疗方法。通过再现A g x A u 1−x ${\mathrm{A}}{{{\mathrm{g}}}_x}{\mathrm{A}}{{{\mathrm{u}}}_{1 - x}}$的表面等离子体共振（SPR）峰位置，首先验证了有限元法（FEM）框架水中的合金纳米球（WM），其组成范围从x = 1 （Ag）到x = 1 (Au)，与实验数据非常吻合。基于此验证，选择ag 0.3 au 0.7 ${\mathrm{A}}{{{\mathrm{g}}}_{0.3}}{\mathrm{A}}{{{\mathrm{u}}}_{0.7}}$合金作为最佳组合，并将其作为壳体材料掺入二氧化硅中@ A g 0.3 A u 0.7 ${\mathrm{Si}}{{{\mathrm{O}}}_2}@{\mathrm{A}}{{{\mathrm{g}}}_{0.3}}{\mathrm{A}}{{{\mathrm{u}}}_{0.7}}$ core@shell纳米粒子（csnp），以评估其在WM、人类前列腺组织（HPT）和肿瘤前列腺组织（TPT）中的光学和热等离子体特性。系统地改变几何比（β = R c / t s） $(\beta = {{R}_{\mathrm{c}}}/{{t}_{\mathrm{s}}})$以优化近红外（NIR）治疗窗口内的共振，以分析等离子体加热和识别适合PrC PTT的配置。β = 9 $\beta = 9$ (18 @ 2 nm) $( {18@2{\mathrm{\ nm}}} )$是最优配置对于所有研究的生物介质，移动SPR峰值位置，最大化焦耳加热效率；λ SPR = 840 nm ${{\lambda }_{{\mathrm{SPR}}}} = 840{\mathrm{\ nm}}$, j0 = 163.528 ${{J}_0} = 163.528$特别是在HPT中。观察到明显的体制相关热响应：在连续波（CW）照射下，I CW = 3 × 10 1 W / m m 2${{I}_{{\mathrm{CW}}}} = 3 \times {{10}^1}{\mathrm{\ W}}/{\mathrm{m}}{{{\mathrm{m}}}^2}$， TPT达到最高稳态温度6。887°C $6.887^\circ {\mathrm{C}}$ (T total = 43。 887°C)$ {{T}_{{\mathrm{total}}}} = 43.887^\circ {\mathrm{C}})$，因为它的导热系数较低。该温度处于中等热疗范围内（42°C - 45°C），被认为有利于PTT应用。相比之下,飞秒（fs）脉冲辐照在I fs = 3w / mm 2 ${I}_{\mathrm{fs}}=3\mathrm{W}/{\mathrm{mm}}^{2}$时产生了14的瞬态温升。154°C $14.154^\circ {\ mathm {C}}$ (T total = 51。154°C)$ {T}_{{\mathrm{total}}}} = 51.154^\circ {\mathrm{C}})$在初始时刻T = 0 ns $ T = 0{\mathrm{\ ns}}$，完全由光学吸收灵敏度驱动。这些发现强调了双重治疗方案的行为：连续波照射可实现可控的轻度热疗，而fs脉冲照射可增强局部加热效果，具体取决于所需的治疗方案。HPT和TPT之间的15 nm $15{\math {\ nm}}$光谱位移进一步确保了选择性，为高精度、选择性PTT提供了多功能平台。

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来源期刊

Journal of the American Ceramic Society 工程技术-材料科学：硅酸盐

CiteScore

7.50

自引率

7.70%

发文量

590

审稿时长

2.1 months

期刊介绍： The Journal of the American Ceramic Society contains records of original research that provide insight into or describe the science of ceramic and glass materials and composites based on ceramics and glasses. These papers include reports on discovery, characterization, and analysis of new inorganic, non-metallic materials; synthesis methods; phase relationships; processing approaches; microstructure-property relationships; and functionalities. Of great interest are works that support understanding founded on fundamental principles using experimental, theoretical, or computational methods or combinations of those approaches. All the published papers must be of enduring value and relevant to the science of ceramics and glasses or composites based on those materials. Papers on fundamental ceramic and glass science are welcome including those in the following areas: Enabling materials for grand challenges[...] Materials design, selection, synthesis and processing methods[...] Characterization of compositions, structures, defects, and properties along with new methods [...] Mechanisms, Theory, Modeling, and Simulation[...] JACerS accepts submissions of full-length Articles reporting original research, in-depth Feature Articles, Reviews of the state-of-the-art with compelling analysis, and Rapid Communications which are short papers with sufficient novelty or impact to justify swift publication.