Frontiers in Nanotechnology最新文献

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Editorial: Opportunities and challenges for nanotechnology in sustainable agri-food production 社论:纳米技术在可持续农业食品生产中的机遇与挑战
Frontiers in Nanotechnology Pub Date : 2024-05-10 DOI: 10.3389/fnano.2024.1420192
R. Pudake, T. Mohanta, Neelima Mahato
{"title":"Editorial: Opportunities and challenges for nanotechnology in sustainable agri-food production","authors":"R. Pudake, T. Mohanta, Neelima Mahato","doi":"10.3389/fnano.2024.1420192","DOIUrl":"https://doi.org/10.3389/fnano.2024.1420192","url":null,"abstract":"","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140991825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nanotechnology to mitigate microbiologically influenced corrosion (MIC) 缓解微生物腐蚀(MIC)的纳米技术
Frontiers in Nanotechnology Pub Date : 2024-04-24 DOI: 10.3389/fnano.2024.1340352
S. T. Kalajahi, Archismita Misra, Andrea Koerdt
{"title":"Nanotechnology to mitigate microbiologically influenced corrosion (MIC)","authors":"S. T. Kalajahi, Archismita Misra, Andrea Koerdt","doi":"10.3389/fnano.2024.1340352","DOIUrl":"https://doi.org/10.3389/fnano.2024.1340352","url":null,"abstract":"Microbiologically influenced corrosion (MIC) is a crucial issue for industry and infrastructure. Biofilms are known to form on different kinds of surfaces such as metal, concrete, and medical equipment. However, in some cases the effect of microorganisms on the material can be negative for the consistency and integrity of the material. Thus, to overcome the issues raised by MIC on a system, different physical, chemical, and biological strategies have been considered; all having their own advantages, limitations, and sometimes even unwanted disadvantages. Among all the methods, biocide treatments and antifouling coatings are more common for controlling MIC, though they face some challenges. They lack specificity for MIC microorganisms, leading to cross-resistance and requiring higher concentrations. Moreover, they pose environmental risks and harm non-target organisms. Hence, the demand for eco-friendly, long-term solutions is increasing as regulations tighten. Recently, attentions have been directed to the application of nanomaterials to mitigate or control MIC due to their significant antimicrobial efficiency and their potential for lower environmental risk compared to the conventional biocides or coatings. Use of nanomaterials to inhibit MIC is very new and there is a lack of literature review on this topic. To address this issue, we present a review of the nanomaterials examined as a biocide or in a form of a coating on a surface to mitigate MIC. This review will help consolidate the existing knowledge and research on the use of nanomaterials for MIC mitigation. It will further contribute to a better understanding of the potential applications and challenges associated with using nanomaterials for MIC prevention and control.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140662763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Translational pathway of a novel PFF2 respirator with chitosan nanotechnology: from the concept to the practical applications 采用壳聚糖纳米技术的新型 PFF2 呼吸器的转化途径:从概念到实际应用
Frontiers in Nanotechnology Pub Date : 2024-04-22 DOI: 10.3389/fnano.2024.1384775
Mário Fabrício Fleury Rosa, Leonor Maria Pacheco Santos, Carlos Augusto Grabois Gadelha, Aline Martins de Toledo, R. Carregaro, Ana Karoline Almeida da Silva, Lindemberg Barreto Mota da Costa, Adson Ferreira da Rocha, Suélia de Siqueira Rodrigues Fleury Rosa
{"title":"Translational pathway of a novel PFF2 respirator with chitosan nanotechnology: from the concept to the practical applications","authors":"Mário Fabrício Fleury Rosa, Leonor Maria Pacheco Santos, Carlos Augusto Grabois Gadelha, Aline Martins de Toledo, R. Carregaro, Ana Karoline Almeida da Silva, Lindemberg Barreto Mota da Costa, Adson Ferreira da Rocha, Suélia de Siqueira Rodrigues Fleury Rosa","doi":"10.3389/fnano.2024.1384775","DOIUrl":"https://doi.org/10.3389/fnano.2024.1384775","url":null,"abstract":"Translational Health Research (THR) is a tool aimed at assisting in the transformation of basic and/or applied scientific research into a health technology ready for commercialization. The aim of this study is to present the translational pathway in wich our research group developed a Personal Protective Equipment (PPE) called VESTA® Facial Respirator with chitosan nanotechnology for protection against viruses, bacteria, and fungi. The aim of this study is to present the process of THR applied to a health technology research.The theoretical-methodological process of THR was applied to the Research and Development (R&D) of the respirator. This method is characterized by subsequent phases, as follow: T (0)—Concept, T (1) Pre-Clinical, T (2) Clinical, T (3) Industrial Scale Production, and T (4) Characterized by subsequent phases, as follow: Technological Evaluation.Applying the THR process in the development and production of the Particulate Filtering Facepiece class 2 (PFF2) respirator with chitosan nanotechnology, University of Brasilia was able to transform the research idea into a respirator approved by the National Regulatory Agency for industrial-scale production within 24 months. The THR process is not a linear action; this flexibility allows essential activities for transforming research into a marketable product.The integration among various stakeholders right from the genesis of research is a driving force for the effective utilization of results. The maturity of the country’s industrial sector is crucial for converting university research into a marketable product, and governments need to prioritize these products in healthcare system incorporations. The academic culture of scientific research needs to intensify the technological transfer phase of its inventions. Conclusion: In less than 24 months, the University of Brasilia translated research on a new PPE into the market by applying the THR method.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140674801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Interaction of functionalized graphene with cellular membranes: an in silico investigation of graphene-based nanovehicle toward biomedical applications 功能化石墨烯与细胞膜的相互作用:面向生物医学应用的石墨烯基纳米载体的硅学研究
Frontiers in Nanotechnology Pub Date : 2024-04-19 DOI: 10.3389/fnano.2024.1347284
Maryam Gholami, Ameneh Zaboli, Hassan Hashemzadeh, Vahid Shirshahi
{"title":"Interaction of functionalized graphene with cellular membranes: an in silico investigation of graphene-based nanovehicle toward biomedical applications","authors":"Maryam Gholami, Ameneh Zaboli, Hassan Hashemzadeh, Vahid Shirshahi","doi":"10.3389/fnano.2024.1347284","DOIUrl":"https://doi.org/10.3389/fnano.2024.1347284","url":null,"abstract":"Nanomaterials, especially graphene derivatives, have become major tools in the biomedical area. Understanding the way that graphene interacts with component elements of biological systems, like biological membranes, is critical for the development of successful biomedical applications. The interaction mechanism of graphene sheets with a model cell membrane was investigated in this study using molecular dynamics (MD) simulations under three different conditions: pristine graphene (PG), carboxyl group-functionalized graphene (G-COOH), and amine group-functionalized graphene (G-NH2). The MD simulations demonstrated that functional groups on graphene surfaces improve their interaction with the head groups of the membrane. In 200 nanoseconds, PG reached equilibrium outside and near the phospholipid membrane. G-NH2 was positioned away from the model membrane’s surface, while G-COOH and G-NH2 also achieved equilibrium outside the membrane. It was shown by molecular dynamics simulations that after 200 ns, all three systems had attained their stable states. Crucially, it is discovered that the kind of functional groups greatly affected how the nanoparticles and membrane interacted. Each and every nanocarrier has a strong propensity to break through the membrane. The van der Waals interaction energies for the PG, G-NH2, and G-COOH systems were further shown by the obtained data to be roughly −400.66, −397.52, and −876.36 kJ/mol, respectively. These results support the notion that G-COOH interacts with the model cell bilayer more strongly than PG and G-NH2. This work highlights the influence of functional groups on the interaction of graphene sheets with biological membranes, offering important insights into the equilibrium behavior and entry mechanism of graphene sheets in a model cell membrane.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140685453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bringing satellite and nanotechnologies together: unifying strengths against pollution and climate change 将卫星技术和纳米技术结合起来:凝聚力量,应对污染和气候变化
Frontiers in Nanotechnology Pub Date : 2024-04-16 DOI: 10.3389/fnano.2024.1332820
A. Ferral, M. Bonansea, Carlos Marcelo Scavuzzo, Francisco Nemiña, Maximiliano Burgos Paci, J. C. Ramirez, Borja Sepúlveda, Jordi Fraxedas, M. Esplandiu
{"title":"Bringing satellite and nanotechnologies together: unifying strengths against pollution and climate change","authors":"A. Ferral, M. Bonansea, Carlos Marcelo Scavuzzo, Francisco Nemiña, Maximiliano Burgos Paci, J. C. Ramirez, Borja Sepúlveda, Jordi Fraxedas, M. Esplandiu","doi":"10.3389/fnano.2024.1332820","DOIUrl":"https://doi.org/10.3389/fnano.2024.1332820","url":null,"abstract":"Nowadays, we witness remarkable technological progress alongside unprecedented challenges that threaten the delicate balance of our planet’s ecological system. Environmental contamination plays a central role in this, with rapid urbanization, industrialization, mining and agricultural practices intensifying the introduction of pollutants into the environment. This article highlights the potential synergy between two fields operating at vastly different scales: satellite technology and nanotechnology. This article delves into the offerings of each of these disciplines and examines how they can mutually contribute to the detection, prevention and mitigation of environmental pollution. Satellites play a crucial role in identifying and monitoring large-scale polluted areas, offering comprehensive insights into environmental challenges. They are indispensable in tracking air, water pollution levels, assessing land degradation, and monitoring changes in ocean health with relatively high spatial and temporal resolution. Nanotechnology leverages the unique properties of materials at sub-micron scale by offering amplified chemical reactivity and new optical, electronic, and magnetic attributes, enabling selective and sensitive sensors and rapid and efficient contaminant capture/degradation strategies. Emerging nanomaterials, along with nature-inspired and self-powered or self-sustaining designs, broaden capabilities for efficient solutions. Advanced nanocharacterization techniques deepen material understanding and quantification, while nanofabrication allows precise design of functional nano-devices. We believe the synergistic relationship between both fields can yield cooperative solutions, expediting effective measures and greatly influencing policy decisions. This article advocates for the collaboration between these two disciplines to foster impactful progress in facing global challenges.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140696252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Statistical optimization for greener synthesis of multi-efficient silver nanoparticles from the Hypocrea lixii GGRK4 culture filtrate and their ecofriendly applications 从 Hypocrea lixii GGRK4 培养滤液中绿色合成多效银纳米粒子的统计优化及其生态友好应用
Frontiers in Nanotechnology Pub Date : 2024-04-16 DOI: 10.3389/fnano.2024.1384465
Guddu Kumar Gupta, Devesh Koli, R. Kapoor
{"title":"Statistical optimization for greener synthesis of multi-efficient silver nanoparticles from the Hypocrea lixii GGRK4 culture filtrate and their ecofriendly applications","authors":"Guddu Kumar Gupta, Devesh Koli, R. Kapoor","doi":"10.3389/fnano.2024.1384465","DOIUrl":"https://doi.org/10.3389/fnano.2024.1384465","url":null,"abstract":"The culture filtrate of Hypocrea lixii GGRK4 played a vital role as a reducing and stabilizing agent in the mycosynthesis of silver nanoparticles (AgNPs) using silver nitrate (AgNO3). The extracellular extract derived from fungi emerged as a noteworthy option for synthesizing AgNPs due to its potential composition of metabolites, including enzymes and other bioactive substances. Hence, the presence of a dark brown color serves as a key indicator for the biosynthesis of AgNPs through the reduction of Ag (I) ions to Ag by the fungal culture filtrate. To facilitate the synthesis of AgNPs, a combination of hybrid technologies, specifically the “one factor at a time” approach and statistical tools such as response surface methodology, was used using a face-centered central composite design (FCCCD). Utilizing a modified CX medium with pH of 5.02 supported the fungi synthesizing AgNPs at a temperature of 30°C. The multi-efficient AgNPs were characterized through various techniques, including UV–visible spectrophotometry, zeta size and potential analysis using a zeta size analyzer, transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and fluorescence spectroscopy. The biosynthesized AgNPs have significant associated functional groups, revealed by FTIR analysis. TEM histogram analysis showed that these multi-efficient AgNPs have a size of 17.34 nm. Similarly, they have emission and excitation spectra of 450 nm and 390 nm, respectively, revealed by fluorescence spectrum analysis. Compared to the standard, the biosynthesized AgNPs have significant antibacterial and free radical scavenging properties and dye degradation capability. Additionally, the half-maximal inhibitory concentration (IC50) value was found statistically significant based on t-test analysis. Finally, the biosynthesized AgNPs could be used in potential applications encompassing ecofriendly degradation, antimicrobial activity, and therapeutic applications, such as free radical scavenging properties.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140696432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnetic hybrid nanomaterial based on a natural polymer and an amino acid as pH/temperature dual-responsive nanoplatform for the delivery of tamoxifen 基于天然聚合物和氨基酸的磁性杂化纳米材料作为他莫昔芬给药的 pH/ 温度双响应纳米平台
Frontiers in Nanotechnology Pub Date : 2024-04-12 DOI: 10.3389/fnano.2024.1384605
Jazmín Torres, Diego Cadena Castro, Rosario Ancarani, Ignacio Bruvera, Pedro Mendoza Zélis, Sandra E. Martín, Mónica C. García, P. M. Uberman
{"title":"Magnetic hybrid nanomaterial based on a natural polymer and an amino acid as pH/temperature dual-responsive nanoplatform for the delivery of tamoxifen","authors":"Jazmín Torres, Diego Cadena Castro, Rosario Ancarani, Ignacio Bruvera, Pedro Mendoza Zélis, Sandra E. Martín, Mónica C. García, P. M. Uberman","doi":"10.3389/fnano.2024.1384605","DOIUrl":"https://doi.org/10.3389/fnano.2024.1384605","url":null,"abstract":"Magnetic hybrid nanomaterials offer promising properties for the advancement of nanoplatforms in cancer nanomedicine, particularly in drug delivery applications. These nanoplatforms can effectively respond to various stimuli present at the tumor site, such as pH and temperature fluctuations, allowing for controlled and triggered release of therapeutic payloads. In this study, we present a straightforward methodology for the synthesis of stable hybrid magnetic nanoplatforms (HMNP) based on Fe3O4 nanoparticles, L-cysteine (L-Cys), and hyaluronic acid (HA) as key constituents for the delivery of tamoxifen (TMX). The synthesized superparamagnetic HMNP, Fe3O4-L-Cys-HA, with a size of 11 nm, was successfully loaded with TMX. The incorporation of L-Cys showed superior interaction with the surface of Fe3O4 nanoparticles compared to other L-Cys derivatives explored as ligands. Consequently, L-Cys was selected for further functionalization with HA, providing the HMNP with active targeting properties toward CD44-overexpressed receptors. High loading efficiency of TMX (75%) was achieved via electrostatic interaction between the carboxylate groups exposed by the HMNP and the ammonium group of the TMX side chain. Efficient control in the TMX release towards different receptor media was observed. Notably, the release of TMX from HMNP-TMX was triggered under acidic pH and hyperthermia conditions, showcasing its responsiveness to both stimuli. Furthermore, enhanced anticancer activity of TMX against MDA-MB-231 breast cancer cells was observed when loaded into HMNP (IC50 almost 3-fold lower for HMNP-TMX compared to free TMX), indicating improved cell uptake of TMX-loaded HMNP in comparison to the free drug. Overall, pH/temperature dual-sensitive HMNP demonstrates promising potential as a nanoplatform for cancer nanomedicine, with prospects for magnetic hyperthermia therapy.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140712174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improving the stability and transdermal permeability of phycocyanin loaded cubosomes 提高含有植物花青素的立方体的稳定性和透皮渗透性
Frontiers in Nanotechnology Pub Date : 2024-04-11 DOI: 10.3389/fnano.2024.1359219
Chune Zhu, Wenjuan Duan, Hui Jing, Jieyu Long, Ying Huang, Di Huang, Chuanbin Wu
{"title":"Improving the stability and transdermal permeability of phycocyanin loaded cubosomes","authors":"Chune Zhu, Wenjuan Duan, Hui Jing, Jieyu Long, Ying Huang, Di Huang, Chuanbin Wu","doi":"10.3389/fnano.2024.1359219","DOIUrl":"https://doi.org/10.3389/fnano.2024.1359219","url":null,"abstract":"Instability and low transdermal permeability of protein antioxidants are major obstacles to resist oxidative stress in transdermal drug delivery system. To overcome these shortcomings, cubosomes were developed as an advanced transdermal delivery system to improve stability and transdermal absorption of the model antioxidant phycocyanin in this study. Glyceryl monooleate and poloxamer 407 (P407) were used to prepare cubosomes as carrier matrix and stabilizer, respectively. Phycocyanin loaded cubosomes (PC-cubosomes) were prepared by the emulsification and homogenization method. A 33 full factorial design was used to optimize the cubosome formulations. The final optimal PC-cubosomes possessed an average particle size of 183.2 ± 0.5 nm and a negative surface charge as well as achieved a high encapsulation efficiency of 87.2% ± 2.7%. PC-cubosomes appeared as nano-sized and well-shaped spheres with highly ordered cubical structures. The residual amount of phycocyanin in PC-cubosomes was 3-fold higher than that in the free drug solution after 10 days ultraviolet radiation exposure. In vitro release kinetics of phycocyanin from PC-cubosomes fitted to the Higuchi kinetic model, indicating that phycocyanin released from cubosomes mainly attributed to drug diffusion and dissolution. PC-cubosomes also exhibited higher permeability (39.79 μg⋅cm−2⋅hour−1) across the rat skin than phycocyanin solution (16.33 μg⋅cm−2⋅hour−1). Furthermore, PC-cubosomes were easily taken up by keratinocytes, thereby achieving a prolonged anti-oxidative stress effect. These results therefore suggested that cubosomes could be a promising transdermal delivery system to improve the stability and transdermal permeability of phycocyanin.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140716182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Layer-by-layer structured nanocomposite deposits from plasma-synthesized organosilicon nanoparticles and organosilicon nanoparticles decorated with Ag nanoparticles by taking advantage of cyclic nanoparticle formation in Ar/HMDSO reactive plasmas 利用 Ar/HMDSO 反应等离子体中循环纳米粒子形成的优势,在等离子体合成的有机硅纳米粒子和用银纳米粒子装饰的有机硅纳米粒子上形成逐层结构的纳米复合沉积物
Frontiers in Nanotechnology Pub Date : 2024-04-11 DOI: 10.3389/fnano.2024.1337571
Rémi Bérard, V. Garofano, Christine Joblin, Luc Stafford, Kremena Makasheva
{"title":"Layer-by-layer structured nanocomposite deposits from plasma-synthesized organosilicon nanoparticles and organosilicon nanoparticles decorated with Ag nanoparticles by taking advantage of cyclic nanoparticle formation in Ar/HMDSO reactive plasmas","authors":"Rémi Bérard, V. Garofano, Christine Joblin, Luc Stafford, Kremena Makasheva","doi":"10.3389/fnano.2024.1337571","DOIUrl":"https://doi.org/10.3389/fnano.2024.1337571","url":null,"abstract":"Rational engineering of thin nanocomposite layers, deposited in reactive plasmas, requires knowledge on the plasma behavior in order to produce multifunctional deposits with tailored properties (structural, optical, electrical, etc.) This work presents an experimental study of nanoparticles synthesized in the plasma gas-phase and their subsequent use as building-blocks to form layer-by-layer nanostructures. The experiment is performed in a plasma process that successfully combines plasma polymerization of an organosilicon molecular precursor (hexamethyldisiloxane, HMDSO) and sputtering of a metallic (silver) target. Pulsed injection of the precursor is found to promote cyclic nanoparticle formation in Ar/HMDSO reactive plasmas. The plasma electron temperature is found to vary in the range 1.6—2.2 eV as derived from time-resolved optical emission spectroscopy of the plasma energetic conditions. This diagnostic method is also shown to provide a reliable tool for online monitoring of the nanoparticle synthesis process. Two types of layer-by-layer structured nanocomposites can be obtained depending on the type of nanoparticles synthesized: (i) organosilicon nanoparticles of size less than 100 nm in all studied plasma conditions for a large quantity of injected HMDSO and (ii) raspberry-like nanoparticles of size less than 150 nm when the quantity of injected HMDSO is reduced. The organosilicon nanoparticle growth follows a polydimethylsiloxane (PDMS)-like oligomerization scheme in which the R2-Si(-O)2 silicon bond tends towards the formation of polymeric structure in a R3-Si(-O)1 silicon chemical environment, containing Si-(CH2)-Si type bridges that are involved in cross-linking. The elemental composition of the raspberry-like nanoparticles is similar to that of the organosilicon nanoparticles, supplemented by the Ag component. The decorating silver nanoparticles are ∼15 nm of size, round in shape and polycrystalline. There is no evidence for silver oxides in the nanostructures. The Si-O-Ag bridges, revealed by infrared spectroscopy, suggest the presence of junction sites between the metallic and the organosilicon parts of the raspberry-like nanoparticles. The silver nanoparticles are found to decorate the organosilicon nanoparticles to form the raspberry-like nanoparticles in the plasma gas-phase, before being deposited. This reveals a very interesting phenomenon of simultaneous growth of the silver- and organosilicon-parts in the plasma without mixing during the nucleation phase.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140713384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Designing a set of criteria for evaluating artificial neural networks trained with physics-based data to replicate molecular dynamics and other particle method trajectories 设计一套标准,用于评估使用物理数据训练的人工神经网络,以复制分子动力学和其他粒子方法轨迹
Frontiers in Nanotechnology Pub Date : 2024-04-10 DOI: 10.3389/fnano.2024.1373316
Alessio Alexiadis
{"title":"Designing a set of criteria for evaluating artificial neural networks trained with physics-based data to replicate molecular dynamics and other particle method trajectories","authors":"Alessio Alexiadis","doi":"10.3389/fnano.2024.1373316","DOIUrl":"https://doi.org/10.3389/fnano.2024.1373316","url":null,"abstract":"This article presents an in-depth analysis and evaluation of artificial neural networks (ANNs) when applied to replicate trajectories in molecular dynamics (MD) simulations or other particle methods. This study focuses on several architectures—feedforward neural networks (FNNs), convolutional neural networks (CNNs), recurrent neural networks (RNNs), time convolutions (TCs), self-attention (SA), graph neural networks (GNNs), neural ordinary differential equation (ODENets), and an example of physics-informed machine learning (PIML) model—assessing their effectiveness and limitations in understanding and replicating the underlying physics of particle systems. Through this analysis, this paper introduces a comprehensive set of criteria designed to evaluate the capability of ANNs in this context. These criteria include the minimization of losses, the permutability of particle indices, the ability to predict trajectories recursively, the conservation of particles, the model’s handling of boundary conditions, and its scalability. Each network type is systematically examined to determine its strengths and weaknesses in adhering to these criteria. While, predictably, none of the networks fully meets all criteria, this study extends beyond the simple conclusion that only by integrating physics-based models into ANNs is it possible to fully replicate complex particle trajectories. Instead, it probes and delineates the extent to which various neural networks can “understand” and interpret aspects of the underlying physics, with each criterion targeting a distinct aspect of this understanding.","PeriodicalId":34432,"journal":{"name":"Frontiers in Nanotechnology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140719521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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