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Effect of Nano-TiO2 Dioxide on the Hydration Process of Tunnel Construction in Low-Temperature Environments. 纳米二氧化钛对低温环境下隧道施工水化过程的影响
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-20 DOI: 10.3390/nano16020138
Yongchun Jiao, Huijian Chen, Shengfu Xu, Fei Fu, Yipeng Tao, Sheng'ai Cui

To address winter construction challenges such as slow early-stage strength development, inhibited hydration processes, and pore structure defects in concrete under low-temperature conditions, this study employs nano-TiO2 as a modifying agent. It is incorporated into concrete through cement replacement methods; the study systematically investigates the influence of different admixture dosages (1%, 2%, 3%, by cement mass) on the mechanical properties, hydration process, and micro-pore structure of concrete. The test employed an electro-hydraulic servo universal testing machine to measure compressive and splitting tensile strengths. Differential thermal analysis (DTA) characterized the formation of hydration products (Ca(OH)2). Micro-CT technology and pore network modeling were utilized to quantify micro-pore parameters. Results indicate that (1) nano-TiO2 regulates the setting time of pure paste, with increased dosage shortening both initial and final setting times. At a 3% dosage, initial setting time plummeted from 5.5 min in the control group to 3.3 min; (2) nano-TiO2 significantly enhances early-age (1-3 days) strength of low-temperature concrete, with optimal effect at 1% dosage. Compressive strength and splitting tensile strength at 1 day increased significantly by 20% and 26%, respectively, compared to the control group. Strength differences among groups gradually narrowed at 28 days; (3) DTA indicates that nano-TiO2 accelerates early cement hydration; (4) micro-CT results show that the 1% dosage group exhibits significantly reduced porosity at day 1 compared to the control group, with notable decreases in Grade 0 and Grade 1 interconnected porosity resulting in the most optimal pore structure density. In summary, the optimal dosage of nano-TiO2 in low-temperature environments is 1% by mass of cement. Through the synergistic "nucleation-filling effect," it promotes early-stage hydration and optimizes pore structure, providing technical support for winter concrete construction.

为了解决低温条件下混凝土早期强度发展缓慢、水化过程抑制、孔隙结构缺陷等冬季施工难题,本研究采用纳米tio2作为改性剂。通过水泥置换法掺入混凝土中;本研究系统考察了不同掺量(按水泥质量1%、2%、3%)对混凝土力学性能、水化过程和微孔结构的影响。试验采用电液伺服万能试验机测量抗压和劈裂抗拉强度。差热分析(DTA)表征了水化产物(Ca(OH)2)的形成。利用微ct技术和孔隙网络建模对微孔隙参数进行量化。结果表明:(1)纳米tio2可调节纯膏体的凝固时间,随着用量的增加,初凝时间和终凝时间均缩短。在3%剂量下,初始凝固时间由对照组的5.5 min骤降至3.3 min;(2)纳米tio2显著提高低温混凝土早期(1 ~ 3天)强度,掺量为1%时效果最佳。与对照组相比,第1天抗压强度和劈裂抗拉强度分别显著提高20%和26%。28 d各组间强度差异逐渐缩小;(3) DTA表明纳米tio2加速水泥早期水化;(4) micro-CT结果显示,1%剂量组在第1天孔隙率较对照组显著降低,0级和1级互连孔隙率显著降低,孔隙结构密度最优。综上所述,低温环境下纳米tio2的最佳掺量为水泥质量的1%。通过协同的“成核-填充效应”,促进早期水化,优化孔隙结构,为冬季混凝土施工提供技术支持。
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引用次数: 0
Carbon Dots and Biomimetic Membrane Systems: Mechanistic Interactions and Hybrid Nano-Lipid Platforms. 碳点和仿生膜系统:机械相互作用和混合纳米脂质平台。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-20 DOI: 10.3390/nano16020140
Nisreen Nusair, Mithun Bhowmick

Carbon dots (CDs) have emerged as a distinct class of fluorescent nanomaterials distinguished by their tunable physicochemical properties, ultrasmall size, exceptional photoluminescence, versatile surface chemistry, high biocompatibility, and chemical stability, positioning them as promising candidates for biomedical applications ranging from sensing and imaging to drug delivery and theranostics. As CDs increasingly transition toward biological and clinical use, a fundamental understanding of their interactions with biological membranes becomes essential, as cellular membranes govern nanoparticle uptake, intracellular transport, and therapeutic performance. Model membrane systems, such as phospholipid vesicles and liposomes, offer controllable platforms to elucidate CD-membrane interactions by isolating key physicochemical variables otherwise obscured in complex biological environments. Recent studies demonstrate that CD surface chemistry, charge, heteroatom doping, size, and hydrophobicity, together with membrane composition, packing density, and phase behavior, dictate nanoparticle adsorption, insertion, diffusion, and membrane perturbation. In addition, CD-liposome hybrid systems have gained momentum as multifunctional nanoplatforms that couple the fluorescence and traceability of CDs with the encapsulation capacity and biocompatibility of lipid vesicles, enabling imaging-guided drug delivery and responsive theranostic systems. This review consolidates current insights into the mechanistic principles governing CD interactions with model membranes and highlights advances in CD-liposome hybrid nanostructures. By bridging fundamental nanoscale interactions with translational nanomedicine strategies, this work provides a framework for the rational design of next-generation CD-based biointerfaces with optimized structural, optical, and biological performance.

碳点(cd)已成为一类独特的荧光纳米材料,其特点是可调的物理化学性质,超小尺寸,特殊的光致发光,多功能表面化学,高生物相容性和化学稳定性,使其成为生物医学应用的有希望的候选者,从传感和成像到药物输送和治疗。随着CDs越来越多地转向生物和临床应用,对它们与生物膜相互作用的基本理解变得至关重要,因为细胞膜控制着纳米颗粒的摄取、细胞内运输和治疗性能。模型膜系统,如磷脂囊泡和脂质体,通过分离关键的物理化学变量,在复杂的生物环境中被掩盖,为阐明cd -膜相互作用提供了可控的平台。最近的研究表明,CD表面化学、电荷、杂原子掺杂、尺寸和疏水性以及膜的组成、堆积密度和相行为决定了纳米颗粒的吸附、插入、扩散和膜的摄动。此外,cd -脂质体杂交系统已经成为多功能纳米平台,将cd的荧光和可追溯性与脂质囊泡的包封能力和生物相容性结合起来,使成像引导的药物传递和反应性治疗系统成为可能。这篇综述巩固了目前对CD与模型膜相互作用的机制原理的见解,并强调了CD-脂质体杂化纳米结构的进展。通过将基本的纳米级相互作用与转化纳米医学策略相结合,这项工作为合理设计下一代基于cd的生物界面提供了一个框架,该界面具有优化的结构、光学和生物性能。
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引用次数: 0
Geometry-Dependent Photonic Nanojet Formation and Arrays Coupling. 几何相关光子纳米射流形成与阵列耦合。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-20 DOI: 10.3390/nano16020136
Zehua Sun, Shaobo Ge, Lujun Shen, Junyan Li, Shibo Xu, Jin Zhang, Yingxue Xi, Weiguo Liu

This work systematically investigates photonic nanojet (PNJ) planar arrays formed by periodic arrangements of dielectric microstructures with four geometric configurations: cylinders, cones, truncated pyramids, and pyramids, focusing on the effects of geometry, array arrangement, and array sparsity on PNJ formation and coupling behavior. Full-wave finite-difference time-domain simulations were performed to analyze optical field distributions under different array conditions. The results indicate that under approximately infinite array conditions, different geometries exhibit markedly different coupling responses. Cylindrical and truncated pyramid structures are more susceptible to inter-element scattering, leading to pronounced multistage focusing, whereas pyramid and cone structures maintain higher spatial stability due to dominant localized tip-focusing mechanisms. For the central elements, the maximum PNJ intensity is about 16.4 a.u. for cylindrical structures and 33.5 a.u. for truncated pyramid structures, while significantly higher intensities of approximately 47.5 a.u. and 93 a.u. are achieved for pyramid and cone structures, respectively. In contrast, the FWHM remains nearly constant for all geometries under different array conditions, indicating that lateral focusing is primarily governed by geometry rather than array arrangement. By tuning the array spacing, the inter-element coupling strength can be continuously weakened, and different geometries require distinct sparsity levels to reach the weak-coupling limit. These results establish the dominant role of geometric configuration in PNJ planar arrays and provide guidance for their predictable design.

本文系统地研究了介电微观结构周期性排列形成的光子纳米射流(PNJ)平面阵列,其具有四种几何构型:圆柱体、锥体、截顶金字塔和金字塔,重点研究了几何结构、阵列排列和阵列稀疏度对PNJ形成和耦合行为的影响。利用全波时域有限差分模拟分析了不同阵列条件下的光场分布。结果表明,在近似无限阵列条件下,不同的几何形状表现出明显不同的耦合响应。圆柱形和截形金字塔结构更容易受到单元间散射的影响,导致明显的多级聚焦,而金字塔和锥形结构由于主要的局部尖端聚焦机制而保持更高的空间稳定性。对于中心元件,圆柱结构的最大PNJ强度约为16.4 a.u.,截形金字塔结构的最大PNJ强度约为33.5 a.u.,而金字塔和锥形结构的最大PNJ强度分别约为47.5 a.u.和93 a.u.。相比之下,在不同阵列条件下,所有几何形状的FWHM几乎保持不变,这表明横向聚焦主要受几何形状而不是阵列布置的控制。通过调整阵列间距,可以不断削弱元件间的耦合强度,不同的几何形状需要不同的稀疏度来达到弱耦合极限。这些结果确定了几何构型在PNJ平面阵列中的主导作用,并为其可预测设计提供了指导。
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引用次数: 0
Advanced Nanomaterials and Energetic Application: Experiment and Simulation. 先进纳米材料与能量应用:实验与模拟。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-20 DOI: 10.3390/nano16020137
Weiqiang Pang, Djalal Trache, Kaili Zhang

In recent years, significant advancements have been made in the exploitation, combustion, ignition, and application of innovative nano-metric energetic materials (nEMs), including solid fuels, energetic combustion catalysts, metal particles, thermites, energetic composites, and more, thanks to new technological developments in the field of nano-scale science and technology [...].

近年来,由于纳米科学技术领域的新技术发展,创新纳米含能材料(nem)的开发、燃烧、点火和应用取得了重大进展,包括固体燃料、含能燃烧催化剂、金属颗粒、热剂、含能复合材料等。
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引用次数: 0
Chemically Modified Zein- and Poly(methyl vinyl ether-co-maleic anhydride)-Based Core-Shell Sub-Micro/Nanoparticles for Essential Oil Delivery: Antibacterial Activity, Cytotoxicity, and Life Cycle Assessment. 化学修饰玉米蛋白和聚(甲基乙烯醚-共马来酸酐)基核-壳亚微/纳米粒子精油输送:抗菌活性、细胞毒性和生命周期评估。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-20 DOI: 10.3390/nano16020139
Liudmyla Gryshchuk, Kyriaki Marina Lyra, Zili Sideratou, Fotios K Katsaros, Sergiy Grishchuk, Nataliia Hudzenko, Milena Násner, José Gallego, Léo Staccioli

The threat of antimicrobial resistance (AMR) and the need for sustainable disinfectants have spurred interest in natural antimicrobials such as essential oils (EOs). However, their application is limited by volatility, poor water solubility, and cytotoxicity. Herein, we present the development of bio-based core-shell sub-micro-/nanocapsules (NCs) with encapsulated oregano (OO), thyme (TO), eucalyptus (EuO), and tea tree (TTO) oils to enhance antimicrobial (AM) performance and reduce cytotoxicity. NCs were synthesized via a nanoencapsulation method using chemically modified zein or poly(methyl vinyl ether-co-maleic anhydride) (GZA) as shell polymers, with selected EOs encapsulated in their core (encapsulation efficacy > 98%). Chemical modification of zein with vanillin (VA) and GZA with either dodecyl amine (DDA) or 3-(glycidyloxypropyl)trimethoxysilane (EPTMS) resulted in improvement in particle size distributions, polydispersity indices (PDIs) of synthesized NCs, and in the stability of the NC-dispersions in water. Antibacterial testing against Staphylococcus aureus and cytotoxicity assays showed that encapsulation significantly reduced toxicity while preserving their antibacterial activity. Among the formulations, GZA-based NCs modified with EPTMS provided the best balance between safety and efficacy. Despite this, life cycle assessment revealed that zein-based NCs were more environmentally sustainable due to lower energy use and material impact. Overall, the approach offers a promising strategy for developing sustainable, effective, and safe EO-based antibacterial agents for AM applications.

抗菌素耐药性(AMR)的威胁和对可持续消毒剂的需求激发了人们对精油(EOs)等天然抗菌素的兴趣。然而,它们的应用受到挥发性、水溶性差和细胞毒性的限制。在此,我们提出了生物基核壳亚微/纳米胶囊(NCs)的开发,其中包被牛至(OO),百里香(TO),桉树(EuO)和茶树(TTO)油,以提高抗菌(AM)性能和降低细胞毒性。以化学修饰的玉米蛋白或聚甲基乙烯醚-共马来酸酐(GZA)为外壳聚合物,采用纳米包封的方法合成纳米碳纳米管,包封率为98%。用香兰素(VA)对玉米蛋白进行化学改性,用十二烷基胺(DDA)或3-(甘油三酯)三甲氧基硅烷(EPTMS)对玉米蛋白进行化学改性,可改善合成的纳米碳纳米管的粒径分布、多分散性指数(pdi)以及纳米碳纳米管在水中的稳定性。对金黄色葡萄球菌的抑菌试验和细胞毒性试验表明,包封在保持其抑菌活性的同时显著降低了其毒性。其中,经EPTMS修饰的gza基NCs在安全性和有效性之间取得了最好的平衡。尽管如此,生命周期评估显示,由于能源使用和材料影响较低,基于玉米蛋白的NCs更具环境可持续性。总的来说,该方法为开发可持续、有效和安全的eo基抗菌剂提供了一个有前途的策略。
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引用次数: 0
Logic Gates Based on Skyrmions. 基于Skyrmions的逻辑门。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.3390/nano16020135
Yun Shu, Qianrui Li, Wei Zhang, Yi Peng, Ping Lai, Guoping Zhao

Traditional complementary metal-oxide-semiconductor (CMOS) logic gates serve as the fundamental building blocks of modern computing, operating through the electron charge manipulation wherein binary information is encoded as distinct high- and low-voltage states. However, as physical dimensions approach the quantum limit, conventional logic gates encounter fundamental bottlenecks, including power consumption barriers, memory limitations, and a significant increase in static power dissipation. Consequently, the pursuit of novel low-power computing methodologies has emerged as a research hotspot in the post-Moore era. Logic gates based on magnetic skyrmions constitute a highly promising candidate in this context. Magnetic skyrmions, nanoscale quasiparticles endowed with topological protection, offer ideal carriers for information transmission due to their exceptional stability and mobility. In this work, we provide a concise overview of the current development status and underlying operating principles of magnetic skyrmion logic gates across various magnetic materials, including ferromagnetic, synthetic antiferromagnetic, and antiferromagnetic systems. The introduction of magnetic skyrmion-based logical operations represents a paradigm shift from traditional Boolean logic to architectures integrating memory and computation, as well as brain-inspired neuromorphic computing. Although significant challenges remain in the synthesis of materials, fabrication, and detection, magnetic skyrmion-based logic computing holds considerable potential as a future ultra-low-power computing technology.

传统的互补金属氧化物半导体(CMOS)逻辑门作为现代计算的基本组成部分,通过电子电荷操作操作,其中二进制信息被编码为不同的高电压和低电压状态。然而,随着物理尺寸接近量子极限,传统的逻辑门遇到了基本的瓶颈,包括功耗障碍、内存限制和静态功耗的显著增加。因此,追求新颖的低功耗计算方法已成为后摩尔时代的研究热点。在这种情况下,基于磁skyrmions的逻辑门是一个非常有前途的候选者。磁性粒子是具有拓扑保护的纳米级准粒子,由于其优异的稳定性和可移动性,为信息传输提供了理想的载体。在这项工作中,我们简要概述了各种磁性材料(包括铁磁、合成反铁磁和反铁磁系统)的磁skyrmion逻辑门的发展现状和基本工作原理。基于磁skyrmim的逻辑运算的引入代表了从传统布尔逻辑到集成内存和计算的架构的范式转变,以及受大脑启发的神经形态计算。尽管在材料合成、制造和检测方面仍存在重大挑战,但基于磁skyrmins的逻辑计算作为未来的超低功耗计算技术具有相当大的潜力。
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引用次数: 0
BINOL-Based Zirconium Metal-Organic Cages: Self-Assembly, Guest Complexation, Aggregation-Induced Emission, and Circularly Polarized Luminescence. 双酚基金属锆有机笼:自组装、客体络合、聚集诱导发射和圆偏振发光。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.3390/nano16020132
Yawei Liu, Gen Li, Roy Lavendomme, En-Qing Gao, Dawei Zhang

The development of nanoscale chiral materials with enhanced optical properties holds significant promise for advancing technologies in light-emitting devices and enantioselective sensing. Here, we report the self-assembly of chiral metal-organic cages from an axially chiral, AIE-active binaphthyl dicarboxylate ligand. This supramolecular architecture functions as a multifunctional platform, demonstrating a high affinity for anionic guests through synergistic electrostatic and hydrogen-bonding interactions. The rigid cage framework not only enhances the ligand's intrinsic aggregation-induced emission (AIE) but also serves as a highly effective chiral amplifier. Notably, MOCs significantly boost the circularly polarized luminescence (CPL), achieving a luminescence dissymmetry factor (|glum|) of 1.2 × 10-3. This value represents an approximately five-fold enhancement over that of the unassembled ligand. The photophysical properties of this chiral supramolecular system provide a strategic blueprint for designing next-generation optical nanomaterials.

具有增强光学性能的纳米级手性材料的发展对推进发光器件和对映选择性传感技术具有重要的前景。在这里,我们报道了手性金属有机笼的自组装从一个轴手性,aie活性二羧酸二萘基配体。这种超分子结构作为一个多功能平台,通过协同静电和氢键相互作用对阴离子客体表现出高亲和力。刚性笼型框架不仅增强了配体的本征聚集诱导发射(AIE),而且是一种高效的手性放大器。值得注意的是,MOCs显著增强了圆偏振发光(CPL),实现了1.2 × 10-3的发光不对称因子(|glum|)。该值比未组装配体的值大约提高了5倍。这种手性超分子体系的光物理性质为设计下一代光学纳米材料提供了战略蓝图。
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引用次数: 0
Single-Atom Site Photocatalysts Boosting Organic Synthesis: The Integration of a Metal Active Site and Photosensitive Unit. 促进有机合成的单原子位光催化剂:金属活性位与光敏单元的集成。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.3390/nano16020129
Haoyue Sun, Yu Yang, Yanchang Liu, Dongxue Yang, Yichang Liu, Zaicheng Sun

Metallaphotoredox catalysis merges the powerful bond-forming abilities of transition metal catalysis with unique electron or energy transfer pathways accessible in photoexcited states, injecting new vitality into organic synthesis. However, most transition metal catalysts cannot be excited by visible light. Thus, prevalent metallaphotoredox catalytic systems require dual catalysts: a transition metal catalyst and a separate photosensitizer. This leads to inefficient electron transfer between these two low-concentration catalytic species, which often limits overall photocatalytic performance. Single-atom site catalysts (SASCs) offer a promising solution, wherein isolated and quasi-homogeneous transition metal sites are anchored on heterogeneous supports. When semiconductors are employed as the support, the photosensitive unit and transition metal catalytic site can be integrated into one system. This integration switches the electron transfer mode from intermolecular to intramolecular, thereby significantly enhancing photocatalytic efficiency. Furthermore, such heterogeneous catalysts are easier to separate and reuse. This review summarizes recent advances in the application of SASCs for photocatalytic organic synthesis, with a particular focus on elucidating structure-activity relationships of the single-atom sites.

金属光氧化还原催化将过渡金属催化强大的成键能力与光激发态下独特的电子或能量转移途径相结合,为有机合成注入了新的活力。然而,大多数过渡金属催化剂不能被可见光激发。因此,普遍的金属光氧化还原催化系统需要双重催化剂:过渡金属催化剂和单独的光敏剂。这导致这两种低浓度催化物质之间的电子转移效率低下,这往往限制了整体光催化性能。单原子位点催化剂(SASCs)提供了一个很有前途的解决方案,其中分离的和准均相的过渡金属位点被锚定在异质载体上。当采用半导体作为载体时,光敏单元和过渡金属催化位点可以集成为一个系统。这种整合将电子转移模式从分子间切换到分子内,从而显著提高光催化效率。此外,这种多相催化剂更容易分离和再利用。本文综述了近年来sassc在光催化有机合成中的应用进展,重点阐述了单原子位点的构效关系。
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引用次数: 0
The Evolution of Nanoparticle Regulation: A Meta-Analysis of Research Trends and Historical Parallels (2015-2025). 纳米颗粒调控的演变:研究趋势和历史平行的荟萃分析(2015-2025)。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.3390/nano16020134
Sung-Kwang Shin, Niti Sharma, Seong Soo A An, Meyoung-Kon Jerry Kim

Objective: We analyzed nanoparticle regulation research to examine the evolution of regulatory frameworks, identify major thematic structures, and evaluate current challenges in the governance of rapidly advancing nanotechnologies. By drawing parallels with the historical development of radiation regulation, the study aimed to contextualize emerging regulatory strategies and derive lessons for future governance. Methods: A total of 9095 PubMed-indexed articles published between January 2015 and October 2025 were analyzed using text mining, keyword frequency analysis, and topic modeling. Preprocessed titles and abstracts were transformed into a TF-IDF (Term Frequency-Inverse Document Frequency) document-term matrix, and NMF (Non-negative Matrix Factorization) was applied to extract semantically coherent topics. Candidate topic numbers (K = 1-12) were evaluated using UMass coherence scores and qualitative interpretability criteria to determine the optimal topic structure. Results: Six major research topics were identified, spanning energy and sensor applications, metal oxide toxicity, antibacterial silver nanoparticles, cancer nano-therapy, and nanoparticle-enabled drug and mRNA delivery. Publication output increased markedly after 2019 with interdisciplinary journals driving much of the growth. Regulatory considerations were increasingly embedded within experimental and biomedical research, particularly in safety assessment and environmental impact analyses. Conclusions: Nanoparticle regulation matured into a dynamic multidisciplinary field. Regulatory efforts should prioritize adaptive, data-informed, and internationally harmonized frameworks that support innovation while ensuring human and environmental safety. These findings provide a data-driven overview of how regulatory thinking was evolved alongside scientific development and highlight areas where future governance efforts were most urgently needed.

目的:我们分析了纳米颗粒调控研究,以检查监管框架的演变,确定主要的主题结构,并评估当前在快速发展的纳米技术治理中的挑战。通过与辐射监管的历史发展相比较,本研究旨在将新兴监管策略置于背景下,并为未来的治理提供经验教训。方法:采用文本挖掘、关键词频率分析和主题建模等方法,对2015年1月至2025年10月发表的9095篇pubmed检索论文进行分析。将预处理后的标题和摘要转化为TF-IDF (Term Frequency- inverse Document Frequency)文档-术语矩阵,并应用NMF (Non-negative matrix Factorization)提取语义一致的主题。候选主题数(K = 1-12)使用UMass连贯分数和定性可解释性标准进行评估,以确定最佳主题结构。结果:确定了六个主要研究课题,涵盖能源和传感器应用、金属氧化物毒性、抗菌银纳米粒子、癌症纳米治疗、纳米粒子药物和mRNA递送。2019年之后,出版物产量显著增加,其中跨学科期刊推动了大部分增长。管制方面的考虑日益纳入实验和生物医学研究,特别是在安全评估和环境影响分析方面。结论:纳米颗粒调控已成为一个动态的多学科领域。监管工作应优先考虑适应性、数据知情和国际协调的框架,以支持创新,同时确保人类和环境安全。这些发现提供了一个数据驱动的概述,说明监管思维是如何随着科学发展而演变的,并突出了未来治理工作最迫切需要的领域。
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引用次数: 0
Molecular Simulation of the Adsorption Separation of Acidic Natural Gas Contaminants with Zeolites. 分子筛吸附分离酸性天然气污染物的分子模拟。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-19 DOI: 10.3390/nano16020131
Tamás Kristóf, Levente Fodor

From an energetic, economic and environmental perspective, the selective removal of carbon dioxide and hydrogen sulfide from industrial natural gas streams is crucial. For this purpose, adsorption separation using nanoporous zeolites composed solely of silicon and oxygen atoms is a promising and environmentally friendly alternative to conventional adsorption and absorption processes. In this study, the adsorption of binary and ternary gas mixtures containing carbon dioxide, methane and/or hydrogen sulfide was examined with more than 100 different pure silica zeolites using atomic-resolution grand canonical Monte Carlo simulations. The IZA database was searched primarily for zeolites that could potentially be used to separate carbon dioxide from methane. However, many of the frameworks found were also suitable for the selective separation of hydrogen sulfide. The dependence of the calculated selectivities on pressure, temperature and gas composition was investigated, and a multi-step adsorption test was also performed with the zeolites showing the best performance. An empirical relationship was observed between certain structural parameters and the preference for binding carbon dioxide. This equation was then used to systematically screen a large database of theoretical zeolites. As a result, not only some IZA zeolites but also several theoretical zeolite structures were identified that strongly favor the adsorption of carbon dioxide over methane.

从能源、经济和环境的角度来看,从工业天然气流中选择性去除二氧化碳和硫化氢是至关重要的。为此,使用仅由硅和氧原子组成的纳米孔沸石进行吸附分离是一种很有前途的环保方法,可以替代传统的吸附和吸收方法。在这项研究中,使用原子分辨率大正则蒙特卡罗模拟,用100多种不同的纯硅沸石研究了含有二氧化碳、甲烷和/或硫化氢的二元和三元气体混合物的吸附。IZA数据库主要搜索可能用于分离二氧化碳和甲烷的沸石。然而,发现的许多框架也适用于硫化氢的选择性分离。研究了计算的选择性与压力、温度和气体组成的关系,并进行了多步吸附实验,得到了性能最好的沸石。观察到某些结构参数与结合二氧化碳的偏好之间存在经验关系。然后,这个方程被用于系统地筛选理论沸石的大型数据库。结果表明,除了一些IZA分子筛外,还有一些分子筛的理论结构更有利于吸附二氧化碳而不是甲烷。
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Nanomaterials
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