Part II. Nanobubbles around plasmonic nanoparticles in terms of modern simulation modeling: what makes them kill the malignant cells?

Kostyukov, A. S.; Isaev, I. L.; Ershov, A. E.; Gerasimov, V. S.; Polyutov, Sergey; Карпов, С. В.

doi:10.1088/1361-6463/ac4c1f

Cited by 4 publications

(2 citation statements)

References 49 publications

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“…Figure 4 shows an example of calculating the distribution of the main parameters in the 'particle-membranemedium' system: pressure and temperature on the membrane, as well as the volume fraction of vapor around NP at the time moment after reaching the maximum pressure, taking into account the effect of the membrane. Detailed analysis of the physical pattern and conditions for formation of nanosized bubbles in aqueous medium around plasmonic NPs selectively bound to the membrane of the malignant cells is presented in our paper [95]. The results obtained are based on the finite volume method and hydrodynamic models underlying the ANSYS Fluent which are supplemented by user-defined functions that impart it with advanced capabilities.…”

Section: Resultsmentioning

confidence: 99%

Part I. Nanobubbles in pulsed laser fields for anticancer therapy: in search of adequate models and simulation approaches

Kostyukov¹,

Isaev²,

Ershov³

et al. 2022

J. Phys. D: Appl. Phys.

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We numerically investigate the conditions for the laser-induced formation of nanobubbles in aqueous medium around plasmonic nanoparticles bound to the malignant cell membranes that is considered as the method of their irreversible damage. We proposed employing the versatile and accessible simulation software as a research tool based on the finite volume method underlying the ANSYS Fluent package and supplemented with our user-defined functions that adapt it to solution of the stated problems. This adaptation allows to verify the model using experimental data for the same conditions. We determined the conditions for the pressure growth on the cell membrane at the initial moment of bubble formation significantly exceeding the threshold of irreversible damage. The model can be used for investigation of hydrodynamic effects accompanying irradiation of plasmonic nanoparticles using both different types of pulsed lasers and ideally absorbing nanoparticles with resonance in the hemoglobin spectral transparency range, as well as to uncover previously unknown effects. They include the conditions for localization of a damaging factor non-affecting the normal cells, the conditions for generation of ultrahigh pressure pulse that enables to damage the cell membrane and precedes formation of a thin vapor shell around nanoparticles, which, unlike large bubbles, requires registration using highly sensitive experimental measurements. An extensive overview of key publications summarizing the state-of-art in this area is presented.

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Section: Resultsmentioning

confidence: 99%

Part I. Nanobubbles in pulsed laser fields for anticancer therapy: in search of adequate models and simulation approaches

Kostyukov¹,

Isaev²,

Ershov³

et al. 2022

J. Phys. D: Appl. Phys.

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“…[21][22][23][24], as well as chemical e.g. [24], hydrodynamic [25][26][27][28][29] and radiation effects on the organism. The laser radiation intensity must be controlled to prevent intense heating of the nanoparticles accompanied by a loss of their resonance properties [30][31][32].…”

Section: Theranostics With Functionalized Magnetic Nanoparticlesmentioning

confidence: 99%

Towards understanding the triggering of the malignant cell death in high-efficiency magneto-mechanical anticancer therapy

Semina¹,

Isaev²,

Комогорцев³

et al. 2023

J. Phys. D: Appl. Phys.

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The paper discusses schemes for the implementation of magneto-mechanical anticancer therapy and the most probable scenarios of damaging mechanical eﬀects on the membranes of malignant cells by targeted magnetic nanoparticles selectively bound to membrane mechanoreceptors employing aptamers. The conditions for selective triggering of the malignant cell apoptosis in a low-frequency non-heating alternating magnetic ﬁeld, corresponding to the exceeding threshold value of the force acting on the membrane and its mechanoreceptors, are established using a nanoparticle dynamic simulation. The requirements for the functionality of magnetic nanoparticles and their suitability for biomedical applications are analysed. Attention is paid to the possibility of the formation of magnetite nanoparticle aggregates in an external magnetic ﬁeld and their localization near tumor cell membranes. It is shown that the scenario involving the process of aggregation of magnetite nanoparticles provides a suﬃcient magneto-mechanical impact to achieve a therapeutic eﬀect. A possible explanation for the experimentally established fact of successful application of magneto-mechanical therapy using magnetite nanoparticles is presented, in which complete suppression of the Ehrlich carcinoma in an alternating magnetic ﬁeld as a response to a magnetome-chanical stimulus was demonstrated. This result conﬁrmed the possibility of using the method for high eﬃciency treatment of malignant neoplasms. The paper is provided with an extensive review of key publications and the state of art in this area.

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Comparative Analysis Based on Near-Field Electromagnetic Theory Combined with Molecular Dynamics for Pulse Light-Induced Plasmonic Nanobubble in Gold and Silver Nanofluids

Dong,

2024

J. Phys. Chem. C

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Noble metallic nanofluids can generate plasmonic nanobubbles (PNB) under short pulse light irradiation. Research of the PNB nucleation energy density threshold (EDT) and its growth kinetics will provide theoretical insights for emerging applications such as optofluidic control and cell-targeted drug delivery. Using a computational model of nearfield electromagnetic theory combined with molecular dynamics (MD) simulation, this study compares the EDTs and nucleation times of PNBs around gold and silver nanoparticles (NPs) with different sizes irradiated with 5 and 100 ps pulse lights. Furthermore, it reveals the energy transfer mechanism of the PNB formation and growth by analyzing the temperature evolution of the water layer near the gold and silver NPs. The results show that with the same pulse light duration time and NP size, it is easier for silver NP to generate PNB than gold NP. In addition, PNBs are more likely to form around NPs with larger sizes. However, the impact of the pulse light duration time on PNB formation is more significant than that of the NP material and size. Notably, 6 nm silver NP has a 73% lower EDT with 5 ps pulse light irradiation than 100 ps; furthermore, the nucleation time of PNB is advanced by 77%. The temperature results reveal that the water layer near the silver NPs obtains a higher temperature than that near the gold NPs with 5 ps pulsed light irradiation. The observation indicates that the resonant electric field (REF), induced by a short pulse of light on the gold and silver NP surface, significantly enhances the motion of water molecules. However, under 100 ps pulse light irradiation, the temperatures of gold and silver NPs exceed those of the adjacent water layers. This phenomenon indicates that the thermal diffusion process is significantly slower than the strong effect of the REF on the motion of the water molecules. These results will provide an essential theoretical basis for accurate manipulation of the light and NP parameters to control the formation of PNB.

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Part II. Nanobubbles around plasmonic nanoparticles in terms of modern simulation modeling: what makes them kill the malignant cells?

Cited by 4 publications

References 49 publications

Part I. Nanobubbles in pulsed laser fields for anticancer therapy: in search of adequate models and simulation approaches

Part I. Nanobubbles in pulsed laser fields for anticancer therapy: in search of adequate models and simulation approaches

Towards understanding the triggering of the malignant cell death in high-efficiency magneto-mechanical anticancer therapy

Comparative Analysis Based on Near-Field Electromagnetic Theory Combined with Molecular Dynamics for Pulse Light-Induced Plasmonic Nanobubble in Gold and Silver Nanofluids

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