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The yielding behaviour of human blood: A historical perspective to origins, measurements and clinical applications 人类血液的屈服行为:起源,测量和临床应用的历史观点。
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-22 DOI: 10.1016/j.cis.2025.103675
Durgesh Kavishvar, Arun Ramachandran
Yield stress, a threshold shear stress indicating a fluid-like flow above and solid-like behaviour below, is inherent to several complex materials. Everyday fluids like toothpaste, ketchup, and body creams exhibit a yield stress on the order of 10 to 100Pa. Interestingly, human blood also demonstrates yield stress, although much lower, ranging from O103to O101Pa. The origin of the yield stress is attributed to a network of interacting red blood cells (RBCs), which arises from an attractive force between the RBCs, resisting flow under stress. Using scaling analysis, we predict yield stress based on the attractive force between RBCs. Moreover, we outline several techniques developed over the past few decades for accurate, rapid, and cost-effective measurement of the yield stress of blood. The advent of several techniques arises from the observation that healthy human blood generally possesses a lower yield stress compared to blood affected by various health conditions. This includes conditions such as cardiovascular or cerebrovascular diseases, hypertension, sickle cell disease, systemic sclerosis, as well as patients administered with anaesthesia or aspirin tablets, or those undergoing surgeries resulting in increased inflammation in the body. These diseases and phenomena occur because these health conditions alter the composition of blood, including changes in the volume fraction of RBCs, concentration of plasma proteins, as well as factors affecting the shape and deformability of the RBCs. We examine the difference between yield stress in healthy and diseased blood and argue that while blood yield stress may not significantly impact the physiology of blood flow, it can be valuable in clinical research for disease detection based on specific cut-off values. Additionally, we address challenges associated with applying yield stress in clinical research, such as huge variations in the measured yield stress across different techniques, or lack of large sample sizes.
屈服应力是一种阈值剪切应力,表明上面是类似流体的流动,下面是类似固体的行为,是几种复杂材料所固有的。牙膏、番茄酱和身体乳等日常液体的屈服应力约为10至100Pa。有趣的是,人类血液也显示出屈服压力,尽管要低得多,范围从o10 -3到O10-1Pa。屈服应力的起源归因于相互作用的红细胞(红细胞)网络,这是由红细胞之间的吸引力引起的,在压力下抵抗流动。利用标度分析,我们基于红细胞之间的吸引力来预测屈服应力。此外,我们概述了过去几十年来开发的几种技术,用于准确,快速和经济有效地测量血液的屈服应力。由于观察到健康的人类血液与受各种健康状况影响的血液相比,通常具有较低的屈服应力,因此出现了几种技术。这包括心脑血管疾病、高血压、镰状细胞病、系统性硬化症等疾病,以及接受麻醉或阿司匹林片剂治疗的患者,或接受手术导致体内炎症加剧的患者。这些疾病和现象的发生是因为这些健康状况改变了血液的组成,包括红细胞体积分数、血浆蛋白浓度的变化,以及影响红细胞形状和可变形性的因素。我们研究了健康血液和患病血液中屈服压力之间的差异,并认为虽然血液屈服压力可能不会显著影响血液流动的生理学,但它在基于特定临界值的疾病检测的临床研究中是有价值的。此外,我们还解决了在临床研究中应用屈服应力的相关挑战,例如不同技术测量的屈服应力存在巨大差异,或者缺乏大样本量。
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引用次数: 0
Advancement of LDH-carbonaceous coupled structure towards promising water splitting and supercapacitor applications ldh -碳质耦合结构在水分解和超级电容器方面的应用进展
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-20 DOI: 10.1016/j.cis.2025.103677
Susanginee Nayak, Kulamani Parida
Utilizing solar energy to drive chemical reactions for producing and storing energy via solar fuel is the ultimate way to build a sustainable future that addresses global fossil fuel requirements. In this context, designing efficient and cost-effective catalysts for H2 production and storage via water splitting and electrochemical energy storage is crucial for achieving advanced catalytic performance. Among numerous materials, layered double hydroxides (LDHs) have emerged as adaptable and efficient catalysts/co-catalysts/electrode materials in photocatalytic (PC), photoelectrochemical (PEC), electrocatalytic (EC) water splitting, and supercapacitor (SC) applications owing to their tunable transition metal cations, interlayer anions, defect formations, and robust physicochemical stability. A coupled structure of LDH‑carbonaceous materials (GO, g-C3N4, CNTs, and CQDs) exhibits unusual properties, including an enhanced surface area, hydrophilicity, and conductivity, which contribute to superior performance. This review focuses on recent advancements in the fabrication process of LDH‑carbonaceous hybrid towards EC, PC, PEC, and SC applications. Firstly, the characteristic features of LDH and the LDH‑carbonaceous hybrid were summarized. Then, the progress of the modification strategy elaborates on how the active carbonaceous species with LDHs alter the LDH‑carbonaceous hybrid towards enhancing overall water-splitting and storage performance for real-time applications. Further, this review summarizes the recent advancement in LDH properties through carbonaceous modification and deliberates the prospects for future advancement of energy applications.
利用太阳能驱动化学反应,通过太阳能燃料生产和储存能量,是建立可持续未来、解决全球化石燃料需求的最终途径。在这种情况下,设计高效、经济的催化剂,通过水分解和电化学储能来生产和储存氢气,对于实现先进的催化性能至关重要。在众多材料中,层状双氢氧化物(LDHs)由于其可调节的过渡金属阳离子、层间阴离子、缺陷形成和强大的物理化学稳定性,已成为光催化(PC)、光电化学(PEC)、电催化(EC)水分解和超级电容器(SC)应用中适应性强、高效的催化剂/助催化剂/电极材料。LDH -碳质材料(GO、g-C3N4、CNTs和CQDs)的耦合结构表现出不同寻常的性能,包括增强的表面积、亲水性和导电性,这些都有助于提高性能。本文综述了LDH -碳杂化材料在EC、PC、PEC和SC方面的最新研究进展。首先,综述了LDH和LDH -碳质杂化物的特性特征。然后,改性策略的进展详细说明了具有LDH的活性碳物质如何改变LDH -碳杂化物,从而提高实时应用的整体水分解和储存性能。综述了近年来碳质改性LDH的研究进展,并对其在能源领域的应用前景进行了展望。
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引用次数: 0
Cyclodextrins-amphiphile molecules supramolecular self-assemblies: Mechanisms, characterization, and applications in advanced functional materials 环糊精-两亲分子超分子自组装:机制、表征及其在高级功能材料中的应用
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-17 DOI: 10.1016/j.cis.2025.103676
Xingran Kou , Nan Gao , Jiamin Zhu , Hui Wang , Xin Huang , Yunchong Zhang , Feng Chen , Qinfei Ke , Qingran Meng
Cyclodextrins and their derivatives (CDs) have become ideal host for constructing various self-assemblies due to their unique external hydrophilic and internal hydrophobic cavities. The primary supramolecular inclusion complexes (ICs) fabricated by CDs and amphiphilic molecules are able to further self-assemble into different high-order supramolecular self-assemblies with more complex structure and more diverse functions under various non-covalent interactions. Hence, in-depth understanding of the assembly mechanisms & modulating factors of amphiphilic molecules-CDs ICs and supramolecular self-assemblies (aggregates) as well as multiscale characterization methodologies is crucial for the design, construction, and application of novel CDs-based functional materials. Therefore, this paper systematically reviewed the latest research progress in supramolecular aggregates of CDs and amphiphilic molecules, and the influences of host, guest, and auxiliaries on the host-guest interaction and supramolecular aggregation were mainly discussed. Moreover, the relevant characterization methods of CDs-based supramolecular aggregates and their potential application prospect in different fields were also reviewed. Finally, the limitations and possible countermeasures of the current research on CDs-based supramolecular aggregates were briefly sorted out, in order to provide guidance for scientific research and practical applications in the field of CDs-based supramolecular self-assemblies.
环糊精及其衍生物由于其独特的外亲水性和内疏水性空腔而成为构建各种自组装体的理想宿主。由CDs和两亲性分子制备的初级超分子包合物(ICs)在各种非共价相互作用下能够进一步自组装成不同的高阶超分子自组装体,其结构更复杂,功能更多样。因此,深入了解两亲分子- cds集成电路和超分子自组装(聚集体)的组装机制和调节因素以及多尺度表征方法对于新型基于cds的功能材料的设计、构建和应用至关重要。因此,本文系统综述了CDs和两亲分子超分子聚集的最新研究进展,重点讨论了宿主、客体和助剂对主客体相互作用和超分子聚集的影响。综述了基于cds的超分子聚集体的相关表征方法及其在不同领域的潜在应用前景。最后,简要梳理了目前基于cds的超分子聚集体研究的局限性和可能的对策,以期为基于cds的超分子自组装领域的科学研究和实际应用提供指导。
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引用次数: 0
Supramolecular cyclodextrin-based metal-organic frameworks (MOFs): Advanced food applications 基于环糊精的超分子金属有机骨架:先进的食品应用
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-17 DOI: 10.1016/j.cis.2025.103670
Arezou Khezerlou , Mohammad Rezvani-Ghalhari , Mahmood Alizadeh Sani , David Julian McClements
Supramolecular cyclodextrin-based metal-organic frameworks (CD-MOFs) have several potential applications in the food industry, including as packaging materials, sensor components, adsorbents, and food additives. These porous, biocompatible materials combine the host-guest chemistry of cyclodextrins with the tunable structure of MOFs, enabling their properties to be tailored for specific applications within the food industry. In active and smart food packaging, CD-MOFs facilitate controlled release of encapsulated antimicrobial agents and antioxidants, thereby enhancing food quality, safety, and shelf life. Encapsulation of bioactive compounds, such as colors, flavors, nutraceuticals, and preservatives, in CD-MOFs can protect them from chemical degradation, microbial contamination, and volatilization. In food formulation, these supramolecular complexes enable the targeted delivery of functional additives, thereby improving sensory attributes and nutritional profiles. The biodegradable nature of many CD-MOFs aligns with the demand for eco-friendly materials, thereby reducing reliance on synthetic additives. Furthermore, CD-MOFs can be integrated into smart sensors to detect spoilage or contamination, ensuring real-time quality monitoring. Previous research suggests that CD-MOFs may provide innovative solutions to enhance food preservation, nutrition, and sustainability. However, challenges such as scalability, cost, and regulatory hurdles must be addressed to unlock their full potential. Continued research and development, coupled with interdisciplinary collaboration, will be crucial in overcoming these limitations and integrating CD-MOFs into food applications.
基于环糊精的超分子金属有机骨架(CD-MOFs)在食品工业中有几种潜在的应用,包括包装材料、传感器组件、吸附剂和食品添加剂。这些多孔的生物相容性材料将环糊精的主客体化学与mof的可调结构相结合,使其性能能够适应食品工业中的特定应用。在活性和智能食品包装中,cd - mof有助于控制封装的抗菌剂和抗氧化剂的释放,从而提高食品质量、安全性和保质期。在cd - mof中包封生物活性化合物,如颜色、香料、营养药品和防腐剂,可以保护它们免受化学降解、微生物污染和挥发。在食品配方中,这些超分子复合物能够靶向递送功能性添加剂,从而改善感官属性和营养状况。许多cd - mof的可生物降解特性符合对环保材料的需求,从而减少了对合成添加剂的依赖。此外,cd - mof可以集成到智能传感器中,以检测变质或污染,确保实时质量监控。先前的研究表明,cd - mof可能为提高食品的保存、营养和可持续性提供创新的解决方案。然而,必须解决诸如可扩展性、成本和监管障碍等挑战,以释放其全部潜力。持续的研究和开发,加上跨学科合作,对于克服这些限制和将cd - mof整合到食品应用中至关重要。
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引用次数: 0
Peptide- and protein- based underwater adhesives: Lessons from marine bio-adhesion 基于肽和蛋白质的水下粘合剂:海洋生物粘合剂的经验教训。
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-13 DOI: 10.1016/j.cis.2025.103674
Heng Chang , Jikang Wang , Bingjie Hu , Jiangjiexing Wu , Wei Qi , Anastasia Penkova , Konstantin N. Semenov , Rongxin Su
Marine organisms such as mussels, barnacles, and sandcastle worms demonstrate robust adhesion in aquatic environments. However, the mechanisms underlying their adhesive capabilities remain incompletely understood, and artificial adhesives with comparable performance have yet to be developed. Notably, most of these organisms achieve strong attachment to various underwater substrates through specialized protein-based structures. As a result, researchers have focused on developing peptide- and protein-based underwater adhesives inspired by these natural organisms in recent decades. This review first summarizes the natural protein-mediated underwater adhesive systems of representative marine organisms. It then provides a comprehensive overview of bio-inspired peptide- and protein-based underwater adhesives. Furthermore, the applications of these adhesives across various fields are discussed. Finally, the challenges and opportunities in the development of underwater adhesive biomaterials are briefly explored.
贻贝、藤壶和沙堡蠕虫等海洋生物在水生环境中表现出强大的附着力。然而,其粘合能力的机制仍然不完全清楚,具有类似性能的人工粘合剂尚未开发。值得注意的是,大多数这些生物通过专门的基于蛋白质的结构实现对各种水下底物的强烈附着。因此,近几十年来,受这些自然生物的启发,研究人员一直致力于开发基于肽和蛋白质的水下粘合剂。本文首先综述了具有代表性的天然蛋白质介导的海洋生物水下黏附系统。然后,它提供了生物启发肽和蛋白质为基础的水下粘合剂的全面概述。此外,还讨论了这些胶粘剂在各个领域的应用。最后,简要探讨了水下黏附生物材料发展面临的挑战和机遇。
{"title":"Peptide- and protein- based underwater adhesives: Lessons from marine bio-adhesion","authors":"Heng Chang ,&nbsp;Jikang Wang ,&nbsp;Bingjie Hu ,&nbsp;Jiangjiexing Wu ,&nbsp;Wei Qi ,&nbsp;Anastasia Penkova ,&nbsp;Konstantin N. Semenov ,&nbsp;Rongxin Su","doi":"10.1016/j.cis.2025.103674","DOIUrl":"10.1016/j.cis.2025.103674","url":null,"abstract":"<div><div>Marine organisms such as mussels, barnacles, and sandcastle worms demonstrate robust adhesion in aquatic environments. However, the mechanisms underlying their adhesive capabilities remain incompletely understood, and artificial adhesives with comparable performance have yet to be developed. Notably, most of these organisms achieve strong attachment to various underwater substrates through specialized protein-based structures. As a result, researchers have focused on developing peptide- and protein-based underwater adhesives inspired by these natural organisms in recent decades. This review first summarizes the natural protein-mediated underwater adhesive systems of representative marine organisms. It then provides a comprehensive overview of bio-inspired peptide- and protein-based underwater adhesives. Furthermore, the applications of these adhesives across various fields are discussed. Finally, the challenges and opportunities in the development of underwater adhesive biomaterials are briefly explored.</div></div>","PeriodicalId":239,"journal":{"name":"Advances in Colloid and Interface Science","volume":"346 ","pages":"Article 103674"},"PeriodicalIF":19.3,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145088261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Toward green and sustainable dielectric nanofluids: surfactant impacts on stability, properties, and regulations 迈向绿色和可持续电介质纳米流体:表面活性剂对稳定性、性质和法规的影响。
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-11 DOI: 10.1016/j.cis.2025.103668
Rizwan A. Farade , Noor Izzi Abdul Wahab , Zafar Said , T.M. Yunus Khan , C. Ahamed Saleel
Transformer fluids face major limitations in the dielectric strength and thermal conductivity of fluids, which hinders effective application in high-voltage applications. Adding nanoparticles holds potential for enhancement, but it is challenging to accomplish and maintain a stable dispersion because of a tendency toward agglomeration. Surfactants are found to act as critical stabilizing agents that aid in the dispersion of nanoparticles and temporal stability through steric and electrostatic interactions at the oil-nanoparticle interface. This review closely evaluates the preparation methodologies of dielectric nanofluids, paying specific attention to the functionality of surfactants and temporal stability effects. Surfactant-treated nanofluids showed temporal stability from a few weeks to a few months along with significant enhancements: breakdown voltage (up to 93.17%), dielectric constant (up to 47.4%), decrease in dissipation factor (up to 97.3%), increase in resistivity (up to 917.93%), and enhancement in thermal conductivity (up to 216.2%). These enhancements are necessarily connected to interfacial alterations that control charge trapping, polarization, and phonon conduction. Gaps between theoretical models of dielectric constant (like Maxwell-Garnett and Loyang models and others) and experimental findings are resolved to recommend enhancement considering surfactant-induced interfacial effects. Also, sustainability aspects such as biodegradability, toxicity, recyclability, and regulatory compliance are discussed. This review's uniqueness lies in a detailed discussion of interfacial mechanisms, model enhancements, and eco-friendly surfactant design, and suggestions for entering into molecular dynamics and interfacial modelling to rationally design environmentally sustainable, high-performance dielectric nanofluids.
变压器流体的介电强度和导热性受到很大限制,阻碍了变压器在高压环境中的有效应用。添加纳米颗粒具有增强的潜力,但由于倾向于团聚,实现和保持稳定的分散是具有挑战性的。表面活性剂被认为是一种关键的稳定剂,通过油-纳米颗粒界面上的空间和静电相互作用,有助于纳米颗粒的分散和时间稳定性。本文综述了电介质纳米流体的制备方法,特别关注表面活性剂的功能和时间稳定性效应。表面活性剂处理的纳米流体表现出从几周到几个月的时间稳定性,并显著增强:击穿电压(高达93.17%),介电常数(高达47.4%),耗散系数降低(高达97.3%),电阻率增加(高达917.93%),导热系数增强(高达216.2%)。这些增强必然与控制电荷捕获、极化和声子传导的界面改变有关。介电常数的理论模型(如Maxwell-Garnett和Loyang模型等)与实验结果之间的差距被解决,以推荐考虑表面活性剂诱导的界面效应的增强。此外,可持续性方面,如生物降解性,毒性,可回收性和法规遵从性进行了讨论。本文的独特之处在于详细讨论了界面机制,模型增强和环保表面活性剂设计,并建议进入分子动力学和界面建模,以合理设计环境可持续的高性能介电纳米流体。
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引用次数: 0
Fusogenic lipid nanocarriers: Nature-inspired design for advanced drug delivery systems 促聚变脂质纳米载体:先进药物输送系统的自然启发设计
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-11 DOI: 10.1016/j.cis.2025.103667
Gennaro Balenzano , Numan Eczacioglu , Nunzio Denora , Andreas Bernkop-Schnürch
Lipid nanocarriers are a useful tool for intracellular delivery of drugs that are otherwise unable to enter their target cells. Most of these nanocarriers are designed for an endocytotic uptake, although this route of intracellular drug delivery has a number of shortcomings. A promising alternative is fusogenic lipid nanocarriers, since by this uptake mechanism lysosomal degradation problems being associated with endocytosis can be excluded and drug release into the target cell can be synchronized with the fusion process. Various mechanisms being responsible for biological fusion events, including fertilization, exocytosis, viral infection and plasma membrane repair can be copied and transferred to nanocarriers enabling them to fuse with target cells. In particular, curvature, fluidity and surface charge of nanocarriers are key parameters for fusogenic properties. Furthermore, lipid nanocarriers can be decorated with fusogenic (poly)peptides such as viral fusion peptides or SNARE-derived lipopeptides. Within this review we provide an overview about the underlying mechanisms being responsible for cell membrane fusion processes, we demonstrate how this knowledge can be utilized for the design of fusogenic lipid nanocarriers and we summarize most promising applications of fusogenic nanocarriers for treatment of different diseases.
脂质纳米载体是一种有用的工具,用于细胞内递送药物,否则无法进入其靶细胞。大多数这些纳米载体是为内吞摄取而设计的,尽管这种细胞内药物递送途径有许多缺点。一个有希望的替代方案是融合性脂质纳米载体,因为通过这种摄取机制可以排除与内吞作用相关的溶酶体降解问题,并且药物释放到靶细胞可以与融合过程同步。生物融合事件的各种机制,包括受精、胞外分泌、病毒感染和质膜修复,都可以复制并转移到纳米载体上,使其能够与靶细胞融合。尤其是纳米载体的曲率、流动性和表面电荷是影响其致熔性能的关键参数。此外,脂质纳米载体可以用融合肽(如病毒融合肽或snare衍生的脂肽)修饰。在这篇综述中,我们提供了关于细胞膜融合过程的潜在机制的概述,我们展示了如何利用这些知识来设计融合性脂质纳米载体,并总结了融合性纳米载体在治疗不同疾病方面最有前途的应用。
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引用次数: 0
Smart Pickering emulsions stabilized by functionalized nanoparticles: Innovative applications in advanced food packaging 智能皮克林乳液稳定功能化纳米颗粒:创新应用在先进的食品包装。
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-11 DOI: 10.1016/j.cis.2025.103673
Yi'er Lou , Yuanxin Ouyang , Hangyu Xie , Honghong Tian , Siting Li , Min Wu , Xueping Song
Pickering emulsions (PEs) are dispersions stabilized by solid particles, have excellent stability and the ability to efficiently encapsulate and protect active ingredients sensitive to environment. Solid particles play a critical role in ensuring the stability and functionality of emulsions. Smart PEs with stimuli-responsive can respond to external stimuli such as pH, CO2, temperature, light and magnetism to regulate the stability of the emulsion (emulsification or demulsification) and smartly control the release of the encapsulated active ingredient, making them highly valued across multiple industries, exceptionally in the preparation of advanced packaging materials. But conventional solid particles cannot endow the ability with stimuli-response to PEs. As a result, surface functionalization emerges as an essential approach for introducing stimuli responsiveness for nanoparticles as stabilizers of Smart PEs. This review introduces the stabilization mechanism and influencing factors of PEs, summarizes the stimuli-responsive mechanisms of nanoparticles for smart PEs and focus on functionalization employed to introduce stimuli responsiveness for nanoparticles. There has been a significant advance in surface modification of nanoparticles, employing the approaches of chemical grafting, electrostatic adsorption, self-assembly, co-precipitation and encapsulation. Meanwhile, the applications of smart PEs in active packaging, indicator packaging, self-healing packaging, and degradable packaging are presented. The current challenges and future directions of smart PEs applying to advanced packaging materials are also outlined. These insights will be invaluable for optimizing functions of smart PEs and broadening their application potential across various fields.
皮克林乳液(pe)是一种由固体颗粒稳定的分散体,具有优异的稳定性和对环境敏感活性成分的有效包封和保护能力。固体颗粒在保证乳剂的稳定性和功能性方面起着至关重要的作用。具有刺激响应的智能pe可以响应外部刺激,如pH, CO2,温度,光和磁,以调节乳液的稳定性(乳化或破乳),并智能控制被封装的活性成分的释放,使其在多个行业中具有很高的价值,特别是在高级包装材料的制备中。但传统的固体颗粒不能赋予其对pe的刺激反应能力。因此,表面功能化成为引入纳米颗粒作为智能聚乙烯稳定剂的刺激响应性的基本方法。本文介绍了pe的稳定机理和影响因素,总结了纳米颗粒对智能pe的刺激响应机制,重点介绍了功能化引入纳米颗粒刺激响应的方法。采用化学接枝、静电吸附、自组装、共沉淀法和包封等方法对纳米颗粒进行表面改性取得了显著进展。同时介绍了智能聚乙烯在活性包装、指示包装、自修复包装、可降解包装等方面的应用。概述了智能聚乙烯应用于先进包装材料的当前挑战和未来方向。这些见解对于优化智能pe的功能和扩大其在各个领域的应用潜力具有不可估量的价值。
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引用次数: 0
Accelerating the discovery and optimization of metal-organic framework materials via machine learning 通过机器学习加速发现和优化金属有机框架材料
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-10 DOI: 10.1016/j.cis.2025.103671
Hong Wang , Liang Yang , Deying Leng , Yurun Du , Hao Ning
As a novel class of porous materials, metal-organic frameworks (MOFs) have attracted considerable attention due to their extensive applications in gas storage, separation, catalysis, and other fields. Traditional methods for the synthesis and optimization of MOFs are often hindered by time-consuming processes and high costs. With the rapid advancement of machine learning (ML) technology, innovative solutions have been provided to accelerate the design, screening, and performance prediction of MOFs. This paper systematically reviews the progress of ML applications in MOF research, covering multiple aspects from fundamental theories to practical implementations. It first introduces commonly used ML algorithms, including regression analysis, classification algorithms, clustering analysis, deep learning, and reinforcement learning, and discusses methods for data acquisition and preprocessing, as well as their impact on model performance. It also examines model evaluation metrics and strategies for enhancing model interpretability. Subsequently, the paper focuses on how ML can drive the progress of MOF research through material design, high-throughput screening, structure-property relationship analysis, and performance prediction. Finally, it systematically identifies the current challenges and future development directions, emphasizing the importance of interdisciplinary collaboration. The significant value of this review lies in integrating the latest ML technologies with advancements in MOF research, providing researchers with a comprehensive perspective to understand the role of ML in accelerating the development of new materials. Additionally, this paper is of great significance in promoting communication between academia and industry, guiding experimental scientists to more effectively utilize computational tools for MOF-related research, thereby accelerating the development of new materials, advancing green chemistry and technology, and meeting the growing demands for energy and environmental sustainability.
金属有机骨架(MOFs)作为一类新型多孔材料,在气体储存、分离、催化等领域有着广泛的应用,引起了人们的广泛关注。传统的mof合成和优化方法往往受到耗时和高成本的阻碍。随着机器学习(ML)技术的快速发展,人们提供了创新的解决方案来加速mof的设计、筛选和性能预测。本文系统综述了机器学习在MOF研究中的应用进展,涵盖了从基础理论到实际实现的多个方面。首先介绍了常用的机器学习算法,包括回归分析、分类算法、聚类分析、深度学习和强化学习,并讨论了数据采集和预处理的方法,以及它们对模型性能的影响。它还检查了模型评估度量和增强模型可解释性的策略。随后,本文重点介绍了机器学习如何通过材料设计、高通量筛选、结构-性能关系分析和性能预测来推动MOF研究的进展。最后,系统地指出了当前面临的挑战和未来的发展方向,强调了跨学科合作的重要性。本文的重要价值在于将最新的机器学习技术与MOF研究进展相结合,为研究人员提供一个全面的视角来理解机器学习在加速新材料开发中的作用。此外,本文对于促进学术界与工业界的交流,指导实验科学家更有效地利用计算工具进行mof相关研究,从而加速新材料的开发,推进绿色化学和技术,满足日益增长的能源和环境可持续性需求具有重要意义。
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引用次数: 0
Engineered nanomaterials for removal, recovery, and reuse of phosphorus: From water to fertilizer pathways 去除、回收和再利用磷的工程纳米材料:从水到肥料的途径
IF 19.3 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-10 DOI: 10.1016/j.cis.2025.103672
Tonoy Kumar Das , Jashandeep Kaur , Raj Mukhopadhyay , Achintya Bezbaruah , Debankur Sanyal
Phosphorus (P) removal from water bodies is gaining attention as eutrophication continues to harm biodiversity and the global economy. At the same time, the depletion of finite rock phosphate reserves, a vital resource for plant fertilization, highlights the urgency of sustainable alternatives. Nanomaterials can offer efficient P removal techniques integrated with efficient means of recovering adsorbed P from the water bodies, which could serve as a sustainable source of P fertilizers, an alternative to rock phosphate. This review critically explores the role of nanomaterials (NMs) in the 3-Rs of P management: removal, recovery, and reuse, with a focus on their removal performance, mechanisms, and potential applications. Our analysis highlights that the deposition of metal oxide nanomaterials on support matrices (e.g., clay, biochar, 2D materials) and their entrapment in polymer matrices significantly enhances removal efficiency. The removal process is surface-controlled, influenced by nanomaterial properties, solution chemistry, and competing ions. The recovery and reuse of P-sorbed nanomaterials are evaluated under various scenarios, emphasizing their future potential and proposing improvements to enhance performance. While nanomaterials are promising to advance a P circular economy, large-scale field experiments are critically needed to validate their practical applicability and support the achievement of the United Nations' Sustainable Development Goals.
随着富营养化对生物多样性和全球经济的持续危害,水体中磷的去除日益受到关注。与此同时,作为植物施肥的重要资源的有限磷矿储量的枯竭,凸显了寻找可持续替代品的紧迫性。纳米材料可以提供高效的除磷技术,结合从水体中回收吸附磷的有效手段,可以作为磷肥的可持续来源,替代磷矿。本文主要探讨了纳米材料(NMs)在磷管理的3-Rs中的作用:去除、回收和再利用,重点介绍了它们的去除性能、机制和潜在应用。我们的分析强调,金属氧化物纳米材料在支撑基质(如粘土、生物炭、二维材料)上的沉积和它们在聚合物基质中的包裹显著提高了去除效率。去除过程是表面控制的,受纳米材料性质、溶液化学和竞争离子的影响。在各种情况下评估了p吸附纳米材料的回收和再利用,强调了它们的未来潜力,并提出了提高性能的改进措施。虽然纳米材料有望推动循环经济,但迫切需要大规模的现场实验来验证其实际适用性,并支持实现联合国可持续发展目标。
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Advances in Colloid and Interface Science
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