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Fabrication of hafnium-based nanoparticles and nanostructures using picosecond laser ablation. 利用皮秒激光烧蚀制备铪基纳米粒子和纳米结构。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-18 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.129
Abhishek Das, Mangababu Akkanaboina, Jagannath Rathod, R Sai Prasad Goud, Kanaka Ravi Kumar, Raghu C Reddy, Ratheesh Ravendran, Katia Vutova, S V S Nageswara Rao, Venugopal Rao Soma

This work presents a unique and straightforward method to synthesise hafnium oxide (HfO2) and hafnium carbide (HfC) nanoparticles (NPs) and to fabricate hafnium nanostructures (NSs) on a Hf surface. Ultrafast picosecond laser ablation of the Hf metal target was performed in three different liquid media, namely, deionised water (DW), toluene, and anisole, to fabricate HfO2 and HfC NPs along with Hf NSs. Spherical HfO2 NPs and nanofibres were formed when Hf was ablated in DW. Hf ablated in toluene and anisole demonstrated the formation of core-shell NPs of HfC with a graphitic shell. All NPs exhibited novel optical reflectance properties. Reflectance measurements revealed that the fabricated NPs had a very high and broad optical absorption throughout the UV-vis-NIR range. The NPs synthesised in toluene exhibited the best absorption. The successful fabrication of Hf NSs with the formation of laser-induced periodic surface structures (LIPSS) with low spatial frequency (LSFL) and high spatial frequency (HSFL) orthogonal to each other was also demonstrated. The LSFL and HSFL both exhibited quasi-periodicity. This work presents a simple way to fabricate HfO2 and HfC NPs and provides insight into their morphological and optical characteristics paving way for their applications in future.

这项工作提出了一种独特而直接的方法来合成氧化铪(HfO2)和碳化铪(HfC)纳米粒子(NPs),并在Hf表面制备铪纳米结构(NSs)。在三种不同的液体介质中,即去离子水(DW)、甲苯和苯甲醚,对Hf金属靶进行超快皮秒激光烧蚀,制备HfO2和HfC NPs以及Hf NSs。在DW中烧蚀Hf,形成球形HfO2 NPs和纳米纤维。在甲苯和苯甲醚中烧蚀的Hf显示了具有石墨壳的HfC核壳NPs的形成。所有NPs都表现出新的光学反射特性。反射率测量表明,制备的NPs在紫外-可见-近红外范围内具有非常高和广泛的光学吸收。在甲苯中合成的NPs的吸收效果最好。并成功制备了低空间频率(LSFL)和高空间频率(HSFL)正交的激光诱导周期表面结构(LIPSS)。LSFL和HSFL均表现出准周期性。本工作提出了一种简单的制备HfO2和HfC NPs的方法,并为其形态学和光学特性提供了深入的了解,为其未来的应用铺平了道路。
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引用次数: 0
Heterogeneous reactions in a HFCVD reactor: simulation using a 2D model. HFCVD反应器中的非均相反应:用二维模型模拟。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-17 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.128
Xochitl Aleyda Morán Martínez, José Alberto Luna López, Zaira Jocelyn Hernández Simón, Gabriel Omar Mendoza Conde, José Álvaro David Hernández de Luz, Godofredo García Salgado

In this study, a simulation of the elementary chemical reactions during SiO x film growth in a hot filament chemical vapor deposition (HFCVD) reactor was carried out using a 2D model. For the 2D simulation, the continuity, momentum, heat, and diffusion equations were solved numerically by the software COMSOL Multiphysics based on the finite element method. The model allowed for the simulation of the key parameters of the HFCVD reactor. Also, a thermochemical study of the heterogeneous reaction between the precursors quartz and hydrogen was carried out. The obtained equilibrium constants (K eq) were related to the temperature profile in the deposition zone and used in the proposed simulation. The validation of the model was carried out by measuring the temperature experimentally, where the temperature range on the substrate is 450 to 500 °C for different deposition parameters. In the simulation, the laminar flow of species contributing to the film growth was confirmed, and the simulated concentration profiles of H° and SiO near the filaments and the sources were as expected. H° and SiO are essential species for the subsequent growth of the SiO x films. These SiO x films have interesting properties and embedded nanostructures, which make them excellent dielectric, optoelectronic, and electroacoustic materials for the fabrication of devices compatible with silicon-based technology.

在本研究中,使用二维模型模拟了热丝化学气相沉积(HFCVD)反应器中SiO x膜生长过程中的基本化学反应。采用COMSOL Multiphysics软件,基于有限元法对连续方程、动量方程、热量方程和扩散方程进行数值求解。该模型对HFCVD反应器的关键参数进行了模拟。同时,对前驱体石英与氢的非均相反应进行了热化学研究。得到的平衡常数(K eq)与沉积区温度分布有关,并用于所提出的模拟。通过实验温度测量对模型进行了验证,在不同的沉积参数下,衬底上的温度范围为450 ~ 500℃。在模拟中,证实了物质的层流促进了膜的生长,模拟的H°和SiO在细丝和源附近的浓度分布符合预期。H°和SiO是siox薄膜后续生长的必需物质。这些SiO x薄膜具有有趣的特性和嵌入的纳米结构,这使它们成为与硅基技术兼容的器件制造的优秀介电、光电和电声材料。
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引用次数: 0
Biomimetic nanocarriers: integrating natural functions for advanced therapeutic applications. 仿生纳米载体:整合自然功能的先进治疗应用。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-16 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.127
Hugo Felix Perini, Beatriz Sodré Matos, Carlo José Freire de Oliveira, Marcos Vinicius da Silva

Biomimetic nanocarriers, engineered to mimic the characteristics of native cells, offer a revolutionary approach in the treatment of various complex human diseases. This strategy enhances drug delivery by leveraging the innate properties of cellular components, thereby improving biocompatibility and targeting specificity. Biomimetic nanocarriers demonstrate significant advancements in drug delivery systems against cancer therapy, Alzheimer's disease, autoimmune diseases, and viral infections such as COVID-19. Here, we address the therapeutic applications of biomimetic nanocarriers and their promising strategy for personalized medicine.

仿生纳米载体,被设计成模仿天然细胞的特征,为治疗各种复杂的人类疾病提供了一种革命性的方法。这种策略通过利用细胞成分的固有特性来增强药物传递,从而提高生物相容性和靶向特异性。仿生纳米载体在治疗癌症、阿尔茨海默病、自身免疫性疾病和COVID-19等病毒感染的药物输送系统中取得了重大进展。在这里,我们讨论了仿生纳米载体的治疗应用及其在个性化医疗方面的前景。
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引用次数: 0
Natural nanofibers embedded in the seed mucilage envelope: composite hydrogels with specific adhesive and frictional properties. 嵌入种子粘液包膜的天然纳米纤维:具有特殊粘附性和摩擦性的复合水凝胶。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-13 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.126
Agnieszka Kreitschitz, Stanislav N Gorb

The increasing interests in natural, biodegradable, non-toxic materials that can find application in diverse industry branches, for example, food, pharmacy, medicine, or materials engineering, has steered the attention of many scientists to plants, which are a known source of natural hydrogels. Natural hydrogels share some features with synthetic hydrogels, but are more easy to obtain and recycle. One of the main sources of such hydrogels are mucilaginous seeds and fruits, which produce after hydration a gel-like, transparent capsule, the so-called mucilage envelope. Mucilage serves several important biological functions, such as supporting seed germination, protecting seeds against pathogens and predators, and allowing the seed to attach to diverse surfaces (e.g., soil or animals). The attachment properties of mucilage are thus responsible for seed dispersal. Mucilage represents a hydrophilic, three-dimensional network of polysaccharides (cellulose, pectins, and hemicelluloses) and is able to absorb large amounts of water. Depending on the water content, mucilage can behave as an efficient lubricant or as strong glue. The current work attempts to summarise the achievements in the research on the mucilage envelope, primarily in the context of its structure and physical properties, as well as biological functions associated with these properties.

人们对天然的、可生物降解的、无毒的材料越来越感兴趣,这些材料可以在不同的工业分支中找到应用,例如食品、制药、医药或材料工程,这把许多科学家的注意力引向了植物,植物是天然水凝胶的已知来源。天然水凝胶与合成水凝胶有一些共同的特点,但更容易获得和回收。这种水凝胶的主要来源之一是粘液种子和果实,它们在水合作用后产生凝胶状的透明胶囊,即所谓的粘液包膜。粘液具有几种重要的生物学功能,例如支持种子发芽,保护种子免受病原体和捕食者的侵害,并允许种子附着在不同的表面(例如土壤或动物)。因此,粘液的附着特性负责种子的传播。胶浆是一种亲水性的、三维的多糖网络(纤维素、果胶和半纤维素),能够吸收大量的水。根据含水量的不同,胶状物可以作为有效的润滑剂或强力的胶水。目前的工作试图总结在粘液包膜的研究成果,主要是在其结构和物理性质的背景下,以及与这些性质相关的生物学功能。
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引用次数: 0
Liver-targeting iron oxide nanoparticles and their complexes with plant extracts for biocompatibility. 肝脏靶向氧化铁纳米粒子及其与植物提取物的复合物的生物相容性。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-11 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.125
Shushanik A Kazaryan, Seda A Oganian, Gayane S Vardanyan, Anatolie S Sidorenko, Ashkhen A Hovhannisyan

Thanks to their simple synthesis, controlled physical properties, and minimal toxicity, iron oxide nanoparticles (Fe3O4 NPs) are widely used in many biomedical applications (e.g., bioimaging, drug delivery, biosensors, diagnostics, and theranostics). However, the use of NPs does not preclude the possibility of selective toxicity and undesirable effects, including accumulation in tissues and direct interaction with specific biological targets. This study evaluated the biocompatibility of Fe3O4 NPs, Teucrium polium (T. polium) extract, rutin, and the corresponding complexes on the liver tissue of healthy white Wistar rats. The impact profile of the synthesized Fe3O4 NPs (15 ± 4 nm), rutin, T. polium extract, and their complexes on biochemical markers of liver function (ALT, AST, ALP, GGT, HDL, LDL, total cholesterol, total protein, and albumin) and morphological indicators of rat liver was investigated. Fe3O4 NPs, rutin, and T. polium extract do not show direct hepatotoxicity when administered intraperitoneally to rats, unlike their complexes. All agents exert a hypolipidemic effect by lowering LDL, despite maintaining the synthetic functions of the liver. Fe3O4 NPs increase the activity of GPO, which is associated with their peroxidase-like properties. A multifaceted and diverse mechanism of action of all studied samples on the liver of Wistar rats was identified.

由于其简单的合成、可控的物理性质和最小的毒性,氧化铁纳米颗粒(Fe3O4 NPs)广泛应用于许多生物医学应用(例如,生物成像、药物输送、生物传感器、诊断和治疗)。然而,NPs的使用并不排除选择性毒性和不良影响的可能性,包括在组织中的积累和与特定生物靶点的直接相互作用。本研究评价了Fe3O4 NPs、polium Teucrium (T. polium)提取物、芦丁及其配合物在健康白色Wistar大鼠肝组织中的生物相容性。研究合成的Fe3O4 NPs(15±4 nm)、芦丁、茯苓提取物及其复合物对大鼠肝功能生化指标(ALT、AST、ALP、GGT、HDL、LDL、总胆固醇、总蛋白、白蛋白)及肝脏形态学指标的影响。Fe3O4 NPs、芦丁和T. polit提取物与它们的复合物不同,腹腔注射给大鼠时没有直接的肝毒性。所有药物都通过降低低密度脂蛋白发挥降血脂作用,尽管维持肝脏的合成功能。Fe3O4 NPs增加了GPO的活性,这与它们的过氧化物酶样性质有关。确定了所有研究样品对Wistar大鼠肝脏的多方面和多样化的作用机制。
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引用次数: 0
Facile synthesis of size-tunable L-carnosine-capped silver nanoparticles and their role in metal ion sensing and catalytic degradation of p-nitrophenol. 尺寸可调的l -肌肽包覆银纳米颗粒的合成及其在金属离子传感和对硝基苯酚催化降解中的作用。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-06 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.124
Akash Kumar, Ridhima Chadha, Abhishek Das, Nandita Maiti, Rayavarapu Raja Gopal

ʟ-Carnosine is a dipeptide with notable antioxidant, antiglycation, metal chelating, and neuroprotective properties. Despite its many biological roles, applying ʟ-carnosine as a capping agent in nanoparticle synthesis has remained underexplored. This study explores the potential of ʟ-carnosine in synthesizing tunable plasmonic silver nanoparticles (ʟ-car-AgNPs). The formation of ʟ-car-AgNPs was confirmed via UV-vis optical absorption spectroscopy, showing single and double plasmonic peaks, depending on the synthesis conditions. Physicochemical characterization using TEM, FTIR, and Raman spectroscopy, as well as EDX and XRD revealed controlled aggregation, successful capping, and crystalline growth of the ʟ-car-AgNPs. The ʟ-car-AgNPs exhibited promising sensing capabilities with limits of detection of 141.79 ppb (1.2 μM) for Cd2+, 131.33 ppb (0.63 μM) for Pb2+, 215.35 ppb (2.8 μM) for As3+, and 245.49 ppb (4.7 μM) for Cr3+. Additionally, these nanoparticles demonstrated catalytic activity regarding the degradation of p-nitrophenol (P-NP), achieving complete degradation of 0.25 and 1 mM solutions within 5 and 10 min, respectively. This study reveals the potential of ʟ-car-AgNPs for both heavy metal ion detection and catalytic degradation of P-NP, indicating their suitability for environmental monitoring and remediation applications. Further optimization and research are needed to expand their environmental applications and to understand their interaction mechanisms with various contaminants.

ʟ-肉碱是一种二肽,具有显著的抗氧化、抗糖化、金属螯合和神经保护特性。尽管ʟ-肉碱具有多种生物学作用,但在纳米粒子合成中将其用作封端剂的研究仍显不足。本研究探讨了ʟ-肉碱在合成可调电浆银纳米粒子(ʟ-car-AgNPs)中的潜力。通过紫外可见光吸收光谱证实了ʟ-car-AgNPs 的形成,并根据合成条件的不同显示出单等离子峰和双等离子峰。利用 TEM、傅立叶变换红外光谱、拉曼光谱以及 EDX 和 XRD 进行的物理化学表征显示,ʟ-car-AgNPs 的聚集受控、成功封盖和结晶生长。ʟ-car-AgNPs具有良好的传感能力,对Cd2+的检测限为141.79 ppb (1.2 μM),对Pb2+的检测限为131.33 ppb (0.63 μM),对As3+的检测限为215.35 ppb (2.8 μM),对Cr3+的检测限为245.49 ppb (4.7 μM)。此外,这些纳米粒子在降解对硝基苯酚(P-NP)方面表现出催化活性,分别在 5 分钟和 10 分钟内完全降解了 0.25 毫摩尔和 1 毫摩尔的溶液。这项研究揭示了ʟ-car-AgNPs 在重金属离子检测和催化降解对硝基苯酚方面的潜力,表明其适用于环境监测和修复应用。要扩大其环境应用范围并了解其与各种污染物的相互作用机制,还需要进一步的优化和研究。
{"title":"Facile synthesis of size-tunable L-carnosine-capped silver nanoparticles and their role in metal ion sensing and catalytic degradation of <i>p</i>-nitrophenol.","authors":"Akash Kumar, Ridhima Chadha, Abhishek Das, Nandita Maiti, Rayavarapu Raja Gopal","doi":"10.3762/bjnano.15.124","DOIUrl":"10.3762/bjnano.15.124","url":null,"abstract":"<p><p>ʟ-Carnosine is a dipeptide with notable antioxidant, antiglycation, metal chelating, and neuroprotective properties. Despite its many biological roles, applying ʟ-carnosine as a capping agent in nanoparticle synthesis has remained underexplored. This study explores the potential of ʟ-carnosine in synthesizing tunable plasmonic silver nanoparticles (ʟ-car-AgNPs). The formation of ʟ-car-AgNPs was confirmed via UV-vis optical absorption spectroscopy, showing single and double plasmonic peaks, depending on the synthesis conditions. Physicochemical characterization using TEM, FTIR, and Raman spectroscopy, as well as EDX and XRD revealed controlled aggregation, successful capping, and crystalline growth of the ʟ-car-AgNPs. The ʟ-car-AgNPs exhibited promising sensing capabilities with limits of detection of 141.79 ppb (1.2 μM) for Cd<sup>2+</sup>, 131.33 ppb (0.63 μM) for Pb<sup>2+</sup>, 215.35 ppb (2.8 μM) for As<sup>3+</sup>, and 245.49 ppb (4.7 μM) for Cr<sup>3+</sup>. Additionally, these nanoparticles demonstrated catalytic activity regarding the degradation of <i>p</i>-nitrophenol (P-NP), achieving complete degradation of 0.25 and 1 mM solutions within 5 and 10 min, respectively. This study reveals the potential of ʟ-car-AgNPs for both heavy metal ion detection and catalytic degradation of P-NP, indicating their suitability for environmental monitoring and remediation applications. Further optimization and research are needed to expand their environmental applications and to understand their interaction mechanisms with various contaminants.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"1576-1592"},"PeriodicalIF":2.6,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11635285/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142817101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Green synthesis of silver nanoparticles derived from algae and their larvicidal properties to control Aedes aegypti. 绿色合成从藻类中提取的银纳米颗粒及其杀灭埃及伊蚊的特性。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-04 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.123
Matheus Alves Siqueira de Assunção, Douglas Dourado, Daiane Rodrigues Dos Santos, Gabriel Bezerra Faierstein, Mara Elga Medeiros Braga, Severino Alves Junior, Rosângela Maria Rodrigues Barbosa, Herminio José Cipriano de Sousa, Fábio Rocha Formiga

Mosquito vectors such as Aedes spp. are responsible for the transmission of arboviruses that have a major impact on public health. Therefore, it is necessary to search for ways to control these insects, avoiding the use of conventional chemical insecticides that are proven to be toxic to nature. In the last years, there has been growing evidence for the potential of silver nanoparticles (AgNPs) to be ecologically benign alternatives to the commercially available chemical insecticides against vector-borne diseases. Natural seaweed extracts contain metabolites such as polyphenols, terpenoids, and alkaloids. These compounds act as reducing agents and stabilizers to synthesize biogenic AgNPs. The green synthesis of AgNPs has advantages over other methods, such as low cost and sustainable biosynthesis. In the perspective of using AgNPs in the development of novel insecticides for vector control, this review deals with the eco-friendly synthesis of AgNPs through seaweed extracts as reducing and stabilizing agents. In addition, assessment of toxicity of these nanomaterials in non-target species is discussed.

伊蚊等蚊媒负责传播对公共卫生产生重大影响的虫媒病毒。因此,有必要寻找控制这些昆虫的方法,避免使用已被证明对自然有毒的传统化学杀虫剂。在过去的几年中,越来越多的证据表明,银纳米颗粒(AgNPs)有可能成为对生态无害的替代品,取代市面上可用于防治媒介传播疾病的化学杀虫剂。天然海藻提取物含有代谢物,如多酚、萜类和生物碱。这些化合物作为还原剂和稳定剂合成生物源AgNPs。绿色合成AgNPs具有成本低、生物合成可持续等优点。从利用AgNPs开发新型病媒控制杀虫剂的角度出发,本文综述了以海藻提取物为还原剂和稳定剂的AgNPs生态合成方法。此外,还讨论了这些纳米材料对非靶物种的毒性评价。
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引用次数: 0
Ultrablack color in velvet ant cuticle. 天鹅绒蚂蚁角质层的超黑颜色。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-02 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.122
Vinicius Marques Lopez, Wencke Krings, Juliana Reis Machado, Stanislav Gorb, Rhainer Guillermo-Ferreira

We studied the ultrastructure of the ultrablack cuticle in Traumatomutilla bifurca, an enigmatic and visually striking species of velvet ants (Hymenoptera, Mutillidae). Using a combination of scanning electron microscopy (SEM), transmission electron microscopy (TEM), confocal laser scanning microscopy (CLSM), and optical spectroscopy, we conducted a comprehensive analysis of the cuticle to elucidate its unique optical properties. SEM imaging provided a detailed surface morphology, while TEM provided insights into the internal structure. CLSM showed that the cuticle exhibits no autofluorescence. Our findings reveal a highly specialized cuticle, characterized by microstructures that effectively minimize reflectance and enhance light absorption. Optical spectrometry confirmed the ultrablack nature of the cuticle, with the measured reflectance approaching minimal levels across a broad spectrum of wavelengths. Therefore, our study contributes to a deeper understanding of ultrablack biological materials and their potential applications in biomimetics.

我们研究了Traumatomutilla bifurca的超黑角质层的超微结构,它是一种神秘而具有视觉冲击力的绒蚁(膜翅目,恙蚁科)。我们结合使用扫描电子显微镜(SEM)、透射电子显微镜(TEM)、激光共聚焦扫描显微镜(CLSM)和光学光谱仪,对角质层进行了全面分析,以阐明其独特的光学特性。扫描电子显微镜成像提供了详细的表面形态,而 TEM 则提供了对内部结构的深入了解。CLSM 显示,角质层没有自发荧光。我们的研究结果揭示了一种高度特化的角质层,其微观结构的特点是能有效地降低反射率并提高光吸收率。光学光谱法证实了角质层的超黑特性,在广泛的波长光谱范围内,测得的反射率接近最低水平。因此,我们的研究有助于加深对超黑色生物材料及其在生物仿生学中潜在应用的理解。
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引用次数: 0
The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential. 循环方法应用于纳米信息学:纳米材料zeta电位的共识预测。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-29 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.121
Dimitra-Danai Varsou, Arkaprava Banerjee, Joyita Roy, Kunal Roy, Giannis Savvas, Haralambos Sarimveis, Ewelina Wyrzykowska, Mateusz Balicki, Tomasz Puzyn, Georgia Melagraki, Iseult Lynch, Antreas Afantitis

A key step in building regulatory acceptance of alternative or non-animal test methods has long been the use of interlaboratory comparisons or round-robins (RRs), in which a common test material and standard operating procedure is provided to all participants, who measure the specific endpoint and return their data for statistical comparison to demonstrate the reproducibility of the method. While there is currently no standard approach for the comparison of modelling approaches, consensus modelling is emerging as a "modelling equivalent" of a RR. We demonstrate here a novel approach to evaluate the performance of different models for the same endpoint (nanomaterials' zeta potential) trained using a common dataset, through generation of a consensus model, leading to increased confidence in the model predictions and underlying models. Using a publicly available dataset, four research groups (NovaMechanics Ltd. (NovaM)-Cyprus, National Technical University of Athens (NTUA)-Greece, QSAR Lab Ltd.-Poland, and DTC Lab-India) built five distinct machine learning (ML) models for the in silico prediction of the zeta potential of metal and metal oxide-nanomaterials (NMs) in aqueous media. The individual models were integrated into a consensus modelling scheme, enhancing their predictive accuracy and reducing their biases. The consensus models outperform the individual models, resulting in more reliable predictions. We propose this approach as a valuable method for increasing the validity of nanoinformatics models and driving regulatory acceptance of in silico new approach methodologies for the use within an "Integrated Approach to Testing and Assessment" (IATA) for risk assessment of NMs.

长期以来,建立替代或非动物试验方法的监管认可的关键步骤是使用实验室间比较或循环试验(rr),其中向所有参与者提供共同的测试材料和标准操作程序,他们测量特定的终点并返回他们的数据进行统计比较,以证明方法的可重复性。虽然目前还没有标准的方法来比较建模方法,但共识建模正在成为风险风险的“等效建模”。我们在这里展示了一种新的方法,通过生成共识模型来评估使用公共数据集训练的相同端点(纳米材料的zeta电位)的不同模型的性能,从而提高了模型预测和基础模型的可信度。利用公开可用的数据集,四个研究小组(novammechanics Ltd. (NovaM)-塞浦路斯,雅典国立技术大学(NTUA)-希腊,QSAR Lab Ltd.-波兰和DTC Lab-印度)建立了五种不同的机器学习(ML)模型,用于预测水介质中金属和金属氧化物纳米材料(NMs)的zeta电位。单个模型被整合到一个共识建模方案中,提高了它们的预测准确性并减少了它们的偏差。共识模型优于个体模型,导致更可靠的预测。我们提出这种方法是一种有价值的方法,可以提高纳米信息学模型的有效性,并推动监管机构接受在“测试和评估综合方法”(IATA)中用于纳米材料风险评估的硅新方法方法。
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引用次数: 0
Electrochemical nanostructured CuBTC/FeBTC MOF composite sensor for enrofloxacin detection. 电化学纳米结构CuBTC/FeBTC MOF复合传感器检测恩诺沙星。
IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-28 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.120
Thi Kim Ngan Nguyen, Tien Dat Doan, Huy Hieu Luu, Hoang Anh Nguyen, Thi Thu Ha Vu, Quang Hai Tran, Ha Tran Nguyen, Thanh Binh Dang, Thi Hai Yen Pham, Mai Ha Hoang

A novel electrochemical sensor for the detection of enrofloxacin (ENR) in aqueous solutions has been developed using a carbon paste electrode modified with a mixture of metal-organic frameworks (MOFs) of CuBTC and FeBTC. These MOFs were successfully synthesized via a solvothermal method and characterized using various techniques, including X-ray diffraction, Fourier-transform infrared spectroscopy, Brunauer-Emmett-Teller analysis, and X-ray photoelectron spectroscopy. The MOF mixture exhibited a particle size ranging from 40 to 100 nm, a high surface area of 1147 m2/g, a pore volume of 0.544 cm3/g, and a capillary diameter of 1.50 nm. Additionally, energy-dispersive X-ray mapping demonstrated the uniform distribution of the two MOFs within the electrode composition. The synergistic effect of the electrocatalytic properties of CuBTC and the high conductivity of FeBTC significantly enhanced the electrochemical response of ENR, increasing the signal by more than ten times compared to the unmodified electrode. Under optimal analytical conditions, the sensor exhibited three dynamic ranges for ENR detection, that is, 0.005 to 0.100 µM, 0.1 to 1.0 µM, and 1 to 13 µM, with coefficients of determination of 0.9990, 0.9954, and 0.9992, respectively, depending on the accumulation duration. The sensor achieved a low detection limit of 3 nM and demonstrated good reproducibility, with a relative standard deviation of 3.83%. Furthermore, the sensor demonstrated effective performance in analysing tap and lake water samples, with recovery rates ranging from 90.2% to 121.3%.

采用CuBTC和FeBTC的混合金属有机骨架(mfs)修饰碳糊电极,研制了一种用于检测水溶液中恩诺沙星(ENR)的新型电化学传感器。这些mof通过溶剂热法成功合成,并使用各种技术进行了表征,包括x射线衍射、傅里叶变换红外光谱、布鲁诺尔-埃米特-泰勒分析和x射线光电子能谱。MOF混合物的粒径为40 ~ 100 nm,比表面积为1147 m2/g,孔体积为0.544 cm3/g,毛细直径为1.50 nm。此外,能量色散x射线映射显示了两种mof在电极组成中的均匀分布。CuBTC的电催化性能和FeBTC的高电导率的协同作用显著增强了ENR的电化学响应,与未修饰的电极相比,信号提高了十倍以上。在最佳分析条件下,传感器的ENR检测动态范围分别为0.005 ~ 0.100µM、0.1 ~ 1.0µM和1 ~ 13µM,根据累积时间的不同,其测定系数分别为0.9990、0.9954和0.9992。该传感器的检测限低至3 nM,重现性好,相对标准偏差为3.83%。此外,该传感器在自来水和湖泊样品分析中表现出有效的性能,回收率为90.2%至121.3%。
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Beilstein Journal of Nanotechnology
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