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Surface concavity enhances ultrasonic transmission from air to liquid 表面的凹凸增强了超声波从空气到液体的传输。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-12 DOI: 10.1039/D5SM01236H
Xiuxing Tang, Liang Zhang, Zherui Hou, Minghao Zhou, Yajun Jiang and Duyang Zang

We reveal a unique effect in which the ultrasonic transmission efficiency from the air to the liquid is significantly enhanced by the liquid surface concavity induced by ultrasound. The surface concavity acts as a special geometry-controllable transducer to transmit ultrasound into the liquid, where the sound transmission efficiency exhibits a relationship with the concavity depth: τd2.

我们发现了一种独特的效果,即超声波引起的液体表面凹度显著提高了超声波从空气到液体的传输效率。表面凹度作为一种特殊的几何可控换能器,将超声波传输到液体中,其中声音传输效率与凹度深度呈相关关系:τ ~ d2。
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引用次数: 0
Molecular concentration field design using closed-form steady-state solutions 使用封闭形式稳态溶液的分子浓度场设计。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-11 DOI: 10.1039/D5SM01121C
Dong Woo Kim, Alison Grinthal and Rebecca Schulman

Control over spatial concentration fields represents a fundamental challenge in designing synthetic biological systems and programmable soft materials. While nature creates morphogen gradients that orchestrate complex developmental processes, synthetic approaches have largely relied on empirical optimization and computationally intensive simulations. Here, we present an analytical framework for steady-state concentration fields generated by finite-sized localized sources in diffusion–degradation systems and derive closed-form solutions for one-, two-, and three-dimensional geometries. By expressing these solutions in dimensionless form, we show that gradient steepness and spatial structure are organized by the Thiele modulus, which captures the competition between diffusion and degradation length scales. The analysis reveals distinct design regimes: in degradation-dominated systems, gradient shape is governed by exponential decay and becomes dimension-independent, whereas in diffusion-dominated systems, gradient magnitude and extent follow dimension-dependent power-law scaling. Building on these results, we introduce a quantitative design strategy that uses threshold-based criteria to program concentration ranges by tuning physically accessible parameters, most directly the production rate, while holding transport and degradation properties fixed. Comparisons with numerical solutions and reported experimental systems demonstrate consistency with the predicted scaling behavior. Together, this work provides a generalizable and physically transparent framework for designing steady-state concentration fields in synthetic biological and soft matter systems, enabling predictive control of gradient-mediated organization without reliance on extensive numerical optimization.

控制空间浓度场是设计合成生物系统和可编程软材料的一个基本挑战。虽然大自然创造了形态梯度来协调复杂的发育过程,但合成方法在很大程度上依赖于经验优化和计算密集型模拟。在这里,我们提出了扩散-退化系统中由有限尺寸局域源产生的稳态浓度场的分析框架,并推导了一维、二维和三维几何形状的封闭形式解。通过以无量纲形式表示这些解,我们发现梯度陡度和空间结构是由Thiele模量组织的,该模量捕获了扩散和退化长度尺度之间的竞争。分析揭示了不同的设计机制:在退化主导的系统中,梯度形状由指数衰减控制,并成为与维度无关的,而在扩散主导的系统中,梯度大小和范围遵循与维度相关的幂律缩放。在这些结果的基础上,我们引入了一种定量设计策略,该策略使用基于阈值的标准,通过调整物理可访问的参数(最直接的是生产率)来规划浓度范围,同时保持运输和降解特性固定。与数值解和已报道的实验系统的比较表明与预测的标度行为一致。总之,这项工作为在合成生物和软物质系统中设计稳态浓度场提供了一个可推广和物理透明的框架,使梯度介导组织的预测控制不依赖于广泛的数值优化。
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引用次数: 0
Morphology control of stimulus-responsive fluorescence-enhanced supramolecular aggregates based on pillar[5]arenes 基于柱[5]芳烃的刺激响应荧光增强超分子聚集体的形态控制。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-10 DOI: 10.1039/D5SM01279A
Xuejia Gan, Peng Liu, Yingying Deng, Qingqing Han, Jinghua Yin and Long Yi Jin

The rational functionalization of pillar[n]arenes enables unprecedented properties, establishing it as a pivotal strategy for constructing advanced functional materials. In this study, we synthesized a series of asymmetrically functionalized pillar[5]arene derivatives H1, H2, and H3, whose molecules were terminated with ester, carboxylate, and carboxylate groups, respectively. The morphological study of these molecular assemblies indicated that different molecular termini significantly influence self-assembly of nanostructures, which leads to the formation of nanospheres, nanosheets, and cross-linked nanomicelles, respectively. Furthermore, the host–guest complexes H2G and H3G, formed by molecule G containing a tetraphenylethylene (TPE) core and molecules H2–3, self-assemble into dendritic and feather-like aggregates in aqueous solution, respectively. The experimental results revealed that the intermolecular interaction of the rigid building block, the hydrophilic/hydrophobic effect, and the structure of the terminal groups synergistically affect the morphology of the supramolecular assemblies. Interestingly, a pH-sensitive reversible morphological conversion between H2G and H3G was established, which could be utilized for fluorescence information encryption. The findings of this study provide not only a new design strategy for functionalized pillar[5]arenes but also a novel approach for constructing advanced stimulus-responsive supramolecular materials.

柱[n]芳烃的合理功能化使其具有前所未有的性能,使其成为构建先进功能材料的关键策略。在本研究中,我们合成了一系列不对称功能化的柱状[5]芳烃衍生物H1、H2和H3,它们的分子端分别以酯、羧酸和羧酸基团结尾。这些分子组装的形态学研究表明,不同的分子末端会显著影响纳米结构的自组装,分别导致纳米球、纳米片和交联纳米胶束的形成。此外,含有四苯基乙烯(TPE)核的分子G和分子H2-3形成的主客体配合物H2G和H3G在水溶液中分别自组装成枝状和羽毛状聚集体。实验结果表明,刚性构件的分子间相互作用、亲疏水效应和末端基团的结构协同影响了超分子组装体的形态。有趣的是,H2G和H3G之间建立了ph敏感的可逆形态转换,可用于荧光信息加密。本研究结果不仅为功能化b[5]芳烃柱提供了一种新的设计策略,而且为构建先进的刺激响应超分子材料提供了一种新的方法。
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引用次数: 0
Strong viscoelastic glycerol solutions formed from phenylalanine-based amine oxide surfactants 由苯基丙氨酸胺氧化物表面活性剂形成的强粘弹性甘油溶液。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-10 DOI: 10.1039/D5SM01213A
Zutian Bi, Ying Ge, Zhao Chen, Xiaomei Pei, Zhenggang Cui and Binglei Song

Forming giant aggregates with surfactants in nonaqueous solvents is typically challenging due to weak solvophobic interactions. In this study, a series of phenylalanine-based surfactants—alkyl phenylalanine amide oxides (Cn-Phe-AO, n = 12, 14, and 16)—were synthesized. These surfactants independently induced gelation of glycerol at remarkably low concentrations of 22.5, 12.7, and 10 mM, respectively, compared with other glycerol systems. The zero-shear viscosity of a 10 mM C16-Phe-AO glycerol solution reached 10 501 Pa s. Cryogenic transmission electron microscopy (cryo-TEM) and circular dichroism (CD) confirmed the formation of left-handed helical structures, which account for the pronounced viscoelasticity of the glycerol solutions. The phenylalanine residue promotes regular molecular packing within the aggregates, enabling the formation of robust helical assemblies in glycerol that maintain a densely entangled network. Comparative analysis of aggregation in glycerol and 1,3-propanediol revealed that the hydrogen-bonding capability of the solvent is the primary driving force for the development of elongated micellar aggregates. This study establishes a model system for gelled glycerol solutions with minimal surfactants and offers new insights into molecular self-assembly in nonaqueous media.

由于弱的疏溶剂相互作用,在非水溶剂中与表面活性剂形成巨大的聚集体通常具有挑战性。本研究合成了一系列苯丙氨酸基表面活性剂-烷基苯丙氨酸酰胺氧化物(cn - fe - ao, n = 12、14和16)。与其他甘油体系相比,这些表面活性剂分别在22.5、12.7和10mm的低浓度下独立诱导甘油凝胶化。10mm c16 - ph - ao甘油溶液的零剪切粘度达到10501 Pa s。低温透射电镜(cryo-TEM)和圆二色性(CD)证实了左旋螺旋结构的形成,这是甘油溶液具有明显粘弹性的原因。苯丙氨酸残基促进聚集体内规则的分子包装,使甘油中形成坚固的螺旋组装,保持紧密纠缠的网络。在甘油和1,3-丙二醇中聚集的对比分析表明,溶剂的氢键能力是形成细长胶束聚集的主要动力。本研究建立了一个具有最少表面活性剂的凝胶甘油溶液的模型系统,并为非水介质中的分子自组装提供了新的见解。
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引用次数: 0
Critical fluctuations of elastic moduli in jammed solids 堵塞固体中弹性模量的临界波动。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-10 DOI: 10.1039/D5SM01202C
Kumpei Shiraishi and Hideyuki Mizuno

We investigate sample-to-sample fluctuations of the shear modulus in ensembles of particle packings near the jamming transition. Unlike the average modulus, which exhibits distinct scaling behaviours depending on the interparticle potential, the fluctuations obey a critical exponent that is independent of the potential. Furthermore, this scaling behaviour has been confirmed in two-dimensional packings, indicating that it holds regardless of spatial dimension. Using this scaling law, we discuss the relationship predicted by heterogeneous-elasticity theory between elastic-modulus fluctuations and the Rayleigh scattering of sound waves across different pressures. Our numerical results provide a useful foundation for developing a unified theoretical description of the jamming critical phenomenon.

我们研究了靠近干扰过渡的粒子填料系综中剪切模量的样品间波动。与平均模量不同,平均模量根据粒子间势表现出不同的标度行为,波动服从与势无关的临界指数。此外,这种缩放行为已经在二维填料中得到证实,表明它与空间维度无关。利用这一标度律,讨论了非均质弹性理论预测的弹性模量波动与不同压力下声波瑞利散射之间的关系。我们的数值结果为建立对干扰临界现象的统一理论描述提供了有益的基础。
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引用次数: 0
Helical vs. non-helical nematic and lamellar proper ferroelectric liquid crystal phases 螺旋与非螺旋向列相和层状固有铁电液晶相。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-09 DOI: 10.1039/D5SM01265A
D. Pociecha, Z. Thornborrow, J. Karcz, M. Bakiera, J. Herman, A. Makal, J. Szydłowska and E. Górecka

A new homologous series of mesogenic compounds with nearly linear mesogenic cores was studied, and it showed a strong discrimination between nematic and smectic phases with respect to the length of the terminal chain. For short homologues a ferroelectric nematic, NF and a heliconical nematic, NTBF phases were observed, while for longer ones they were replaced with ferroelectric smectic AF and CF phases. The n = 3 homologue exhibits a unique sequence of SmCF and its heliconical analogue SmCHP. Replacing an alkyne linkage in the mesogenic core with an alkene one favoured smectic phases and led to the appearance of a modulated-type SmAAF phase.

研究了一类具有近线性介系核心的同源化合物,其末端链的长度对向列相和近晶相具有明显的区别。对于较短的同源物,观察到铁电向列相,NF和螺旋向列相,NTBF相,而对于较长的同源物,它们被铁电近晶AF和CF相取代。n = 3同源序列显示SmCF及其螺旋类似物SmCHP的独特序列。用烯烃键取代介生核中的炔键有利于近晶相,并导致调制型SmAAF相的出现。
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引用次数: 0
Revealing liquid–gas transitions with finite-size scaling in experimental and simulation systems confined by an external field 外场限制下实验和模拟系统中有限尺度的液气跃迁。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-09 DOI: 10.1039/D5SM01165E
Chong Zha, Yanshuang Chen, Cheng-Ran Du, Peng Tan and Yuliang Jin

The application of an external field often renders empirical criteria for identifying liquid–gas phase transitions ambiguous. Here, we demonstrate that the finite-size scaling of the density profile provides a definitive criterion to distinguish liquid–gas coexistence from a single fluid phase in field-confined systems. Our scaling method collapses the density profiles of different system sizes onto a single master curve for a one-phase system, while causing the profiles to intersect at the interface in a two-phase system. We validate this theoretical proposal through experiments and simulations of two model systems: colloidal suspensions under gravity and two-dimensional complex plasmas confined by a central potential. Our method is broadly applicable for detecting liquid–gas phase transitions in laboratory systems where external fields are inherent.

外场的应用常常使鉴别液气相变的经验准则模糊不清。在这里,我们证明了密度剖面的有限尺度为区分油田封闭系统中的液气共存和单一流体相提供了明确的标准。我们的标度方法将不同体系尺寸的密度曲线在单相体系中折叠到一条主曲线上,而在两相体系中使密度曲线在界面处相交。我们通过实验和模拟两种模型系统来验证这一理论建议:重力作用下的胶体悬浮液和受中心电位限制的二维复杂等离子体。我们的方法广泛适用于检测固有外场的实验室系统中的液气相变。
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引用次数: 0
Complex molecular dynamics of symmetric model discotic liquid crystals: comparison of hexakis(hepta-alkanoyloxy)triphenylene (HOT6) with hexakis(hexa-alkyloxy)triphenylene (HAT6) 对称模型盘状液晶的复杂分子动力学:六(七烷氧基)三苯基(HOT6)与六(六烷氧基)三苯基(HAT6)的比较。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-06 DOI: 10.1039/D5SM01247C
Christina Krause, Paulina Szymoniak, Wiebke Lohstroh, Fanni Juranyi, Michaela Zamponi, Bernhard Frick, Dominik Al-Sabbagh, Franziska Emmerling, Reiner Zorn and Andreas Schönhals

This study investigates the complex molecular dynamics of discotic liquid crystals (DLCs) by comparing two structurally similar compounds: hexakis(hepta-alkanoyloxy)triphenylene (HOT6) and hexakis(hexa-alkyloxy)triphenylene (HAT6) having the same triphenyl core and the same length of the alkyl side chain. The difference of both materials is that the alkyl chain is linked by an oxygen bridge to the triphenylene core for HAT6 and by a ester group for HOT6. Using a combination of broadband dielectric spectroscopy, differential scanning calorimetry, X-ray scattering, and neutron scattering techniques, the research explores the glass transition phenomena and relaxation processes in these materials. HOT6, featuring ester linkages, exhibits distinct dynamic behavior compared to HAT6, including two separate glass transitions indicated by the α1- and α2-relaxation found by dielectric spectroscopy which are assigned to the glassy dynamics of the alkyl side chain in the intercolumnar space and that of the columns, respectively. The study reveals that the ester group in HOT6 leads to increased molecular rigidity and altered packing in the intercolumnar space, as evidenced by X-ray scattering and the vibrational density of states. Neutron scattering confirms localized methyl group rotations and a further relaxation process which relates to the γ-relaxation revealed by dielectric spectroscopy. The findings contribute to a deeper understanding of glassy dynamics in partially ordered systems and highlight the influence of molecular architecture on relaxation behavior in DLCs.

本研究通过比较具有相同三苯基核和相同烷基侧链长度的六(庚烷氧基)三苯基(HOT6)和六(六-烷基氧基)三苯基(HAT6)这两种结构相似的化合物,研究了盘状液晶(dlc)的复杂分子动力学。两种材料的不同之处在于,对于HAT6,烷基链由氧桥连接到三苯基核,而对于HOT6,则由酯基连接。结合宽带介电光谱、差示扫描量热法、x射线散射和中子散射技术,研究了这些材料的玻璃化转变现象和弛豫过程。与HAT6相比,具有酯键的HOT6表现出明显的动力学行为,包括两个独立的玻璃化转变,分别由介电光谱发现的α1-和α2弛豫表明,这两个玻璃化转变分别归因于烷基侧链在柱间空间和柱间的玻璃化动力学。研究表明,HOT6中的酯基增加了分子刚度,改变了柱间空间的堆积,这一点得到了x射线散射和态的振动密度的证明。中子散射证实了甲基的局部旋转和进一步的弛豫过程,这与介电光谱显示的γ弛豫有关。这些发现有助于更深入地理解部分有序系统中的玻璃动力学,并突出了分子结构对dlc弛豫行为的影响。
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引用次数: 0
Viscoelastic properties of tumor spheroids revealed by a microfluidic compression device and a modified power law model 用微流控压缩装置和修正幂律模型揭示肿瘤球体的粘弹性特性。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-05 DOI: 10.1039/D5SM00949A
Mrinal Pandey, Bangguo Zhu, Kaitlyn Roach, Young Joon Suh, Jeffrey E. Segall, Chung-Yuen Hui and Mingming Wu

Clinically, palpation is one of the important diagnostic methods to assess tumor malignancy. In laboratory research, it is well accepted that the bulk stiffness of the tumor and the surrounding tissue is closely correlated with the malignant state of the tumor. Here, we postulate that, in addition to tumor stiffness, tumor viscoelasticity – the fact that tumor tissue takes time to bounce back after compression, can also be used to evaluate the tumor malignancy state. In this work, we characterized the viscoelastic properties of tumor spheroids using a recently developed microfluidic compression device by quantifying their relaxation dynamics upon load removal. Tumor spheroids were made using breast tumor cells spanning various malignancy levels; non-tumorigenic epithelial (MCF10A), moderately malignant tumor (MCF7) and triple negative metastatic tumor (MDA-MB-231) cell line. Spheroids embedded within a 3D extracellular matrix were periodically compressed, and their strain responses were recorded using microscopic imaging. Our results revealed that the measured strain relaxation dynamics can be successfully described by a modified power law model, demonstrated that non-tumorigenic tumor spheroids were more elastic, exhibited shorter relaxation time and less plasticity than those of tumorigenic spheroids. This work highlights that viscoelastic properties in addition to bulk stiffness of the tumor spheroids can serve as a complementary mechanical biomarker of tumor malignancy and demonstrate the validity of a modified power law model for the mechanical characterization of a living tissue.

在临床上,触诊是评估肿瘤恶性程度的重要诊断方法之一。在实验室研究中,人们普遍认为肿瘤及周围组织的体刚度与肿瘤的恶性状态密切相关。在这里,我们假设除了肿瘤的刚度,肿瘤的粘弹性——即肿瘤组织受压后反弹所需的时间——也可以用来评估肿瘤的恶性状态。在这项工作中,我们使用最近开发的微流体压缩装置,通过量化它们在负载去除时的松弛动力学来表征肿瘤球体的粘弹性特性。用不同恶性程度的乳腺肿瘤细胞制作肿瘤球体;非致瘤性上皮(MCF10A)、中度恶性肿瘤(MCF7)和三阴性转移性肿瘤(MDA-MB-231)细胞系。嵌入在三维细胞外基质中的球体被周期性压缩,并使用显微成像记录它们的应变响应。我们的研究结果表明,测量的应变松弛动力学可以用修正的幂律模型成功地描述,表明非致瘤性肿瘤球体比致瘤性球体更具弹性,表现出更短的松弛时间和更小的塑性。这项工作强调,除了肿瘤球体的总体刚度外,粘弹性特性还可以作为肿瘤恶性的补充力学生物标志物,并证明了用于活体组织力学表征的修正幂律模型的有效性。
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引用次数: 0
Impact of protein corona morphology on nanoparticle diffusion in biological fluids: insights from a mesoscale approach 蛋白质冠形态对生物流体中纳米颗粒扩散的影响:来自中尺度方法的见解。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-05 DOI: 10.1039/D5SM01152C
Beatrice Cipriani and Hender Lopez

Nanoparticles (NPs) demonstrate considerable potential in medical applications, including targeted drug delivery and diagnostic probes. However, their efficacy depends on their ability to navigate through the complex biological environments inside living organisms. In such environments, NPs interact with a dense mixture of biomolecules, which can reduce their mobility and hinder diffusion. Understanding the factors influencing NP diffusion in these environments is key to improving nanomedicine design and predicting toxicological effects. In this study, we propose a computational approach to model NP diffusion in crowded environments. We introduce a mesoscale model that accounts for the combined effects of the protein corona (PC) and the crowded medium on NP mobility. By including volume-exclusion interactions and modelling the PC both explicitly and implicitly, we identify key macromolecular descriptors that affect NP diffusion. Our results show that the morphology of the PC can significantly affect the diffusion of NPs, and the roles of the occupied volume fraction and the size ratio between tracers and crowders are analysed. The results also show that approximating large macromolecular assemblies with a hydrodynamic single-sphere model leads to inexact diffusion estimates. To overcome the limitations of single-sphere representations, a strategy for an accurate parameterization of NP–PC systems using a single-sphere model is presented and the validity and limitations of the model are discussed.

纳米粒子(NPs)在医学应用中显示出相当大的潜力,包括靶向药物输送和诊断探针。然而,它们的功效取决于它们在生物体内部复杂的生物环境中导航的能力。在这样的环境中,NPs与密集的生物分子混合物相互作用,这会降低它们的流动性并阻碍扩散。了解这些环境中影响NP扩散的因素是改进纳米药物设计和预测毒理学效应的关键。在这项研究中,我们提出了一种计算方法来模拟拥挤环境中的NP扩散。我们介绍了一个中尺度模型,该模型解释了蛋白质冠(PC)和拥挤介质对NP迁移的综合影响。通过包括体积排斥相互作用和明确和隐式模拟PC,我们确定了影响NP扩散的关键大分子描述符。结果表明,PC的形貌对NPs的扩散有显著的影响,并分析了示踪剂的体积分数和示踪剂与助剂的尺寸比对NPs扩散的影响。结果还表明,用水动力单球模型近似大型大分子组合会导致不精确的扩散估计。为了克服单球表示的局限性,提出了一种利用单球模型对NP-PC系统进行精确参数化的策略,并讨论了该模型的有效性和局限性。
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引用次数: 0
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Soft Matter
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