首页 > 最新文献

Soft Matter最新文献

英文 中文
Drug & virus transport across biological barriers: interactions, diffusion, partitioning, permeability, and selectivity. 药物和病毒跨越生物屏障的转运:相互作用、扩散、分配、渗透性和选择性。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-06 DOI: 10.1039/d5sm01176k
Mikael O Ellingson, Michael A Bevan

Biological barriers protect the human body by selectively blocking foreign material. Designing particles with coatings that efficiently transport across these barriers can increase the effectiveness and feasibility of advanced therapeutics. In particular, the mucus barrier protects the intestines, lungs, eyes, etc., complicating oral, inhaled, or ocular drug delivery. Heuristics for particle design are currently limited to the rate of diffusion within the barrier. Relying on first-principles theories for colloidal scale interactions, a cohesive model of the transport of particles through biological barriers is developed based on the barrier permeability, which incorporates essential contributions from both partitioning and diffusion. Analytical models are developed to predict partition coefficients based on particle-pore interaction potentials. Particle-pore hydrodynamics are considered to predict average diffusivities within mucus barriers. We show that kT-scale attractive interactions, that are either specific or non-specific, can yield optimal delivery of larger particles, to increase the mass flux across mucus barriers by an order of magnitude, and enable delivery of macromolecular cargo, due to enhanced partitioning. Our model indicates drug particle design rules to achieve transport rates comparable to or exceeding what is possible by viruses with highly evolved chemical and physical characteristics.

{"title":"Drug & virus transport across biological barriers: interactions, diffusion, partitioning, permeability, and selectivity.","authors":"Mikael O Ellingson, Michael A Bevan","doi":"10.1039/d5sm01176k","DOIUrl":"https://doi.org/10.1039/d5sm01176k","url":null,"abstract":"<p><p>Biological barriers protect the human body by selectively blocking foreign material. Designing particles with coatings that efficiently transport across these barriers can increase the effectiveness and feasibility of advanced therapeutics. In particular, the mucus barrier protects the intestines, lungs, eyes, <i>etc.</i>, complicating oral, inhaled, or ocular drug delivery. Heuristics for particle design are currently limited to the rate of diffusion within the barrier. Relying on first-principles theories for colloidal scale interactions, a cohesive model of the transport of particles through biological barriers is developed based on the barrier permeability, which incorporates essential contributions from both partitioning and diffusion. Analytical models are developed to predict partition coefficients based on particle-pore interaction potentials. Particle-pore hydrodynamics are considered to predict average diffusivities within mucus barriers. We show that <i>kT</i>-scale attractive interactions, that are either specific or non-specific, can yield optimal delivery of larger particles, to increase the mass flux across mucus barriers by an order of magnitude, and enable delivery of macromolecular cargo, due to enhanced partitioning. Our model indicates drug particle design rules to achieve transport rates comparable to or exceeding what is possible by viruses with highly evolved chemical and physical characteristics.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146130541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
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, 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.

{"title":"Viscoelastic properties of tumor spheroids revealed by a microfluidic compression device and a modified power law model.","authors":"Mrinal Pandey, Bangguo Zhu, Kaitlyn Roach, Young Joon Suh, Jeffrey E Segall, Chung-Yuen Hui, Mingming Wu","doi":"10.1039/d5sm00949a","DOIUrl":"https://doi.org/10.1039/d5sm00949a","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146123015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A novel approach to measure needle insertion responses and the overlooked impact of insertion on injection outcomes. 一种测量针头插入反应和被忽视的插入对注射结果的影响的新方法。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-05 DOI: 10.1039/d5sm01023c
S Kiana Naghibzadeh, Hana Rudykh, Brendan M Unikewicz, Tal Cohen

Needle-based injection techniques are widely used in drug delivery, diagnostics, and soft material characterization, yet the mechanical influence of the insertion process on the ensuing injection behavior remains poorly understood. Here, we demonstrate that both the morphology of the expanded cavity and the resisting pressure are not only governed by material properties, but can be critically influenced, and even reliably modulated, by the preceding needle insertion and retraction processes. To investigate the insertion process, we measure the pressure developed in the droplet that is initially suspended at the tip of the needle and then driven through the material to obtain pressure-depth curves. This offers a local measure of tearing resistance that is not governed by frictional forces along the needle shaft. By systematically varying the insertion and retraction depths and speeds in two contrasting soft materials, we find that features in the pressure-depth curve reliably indicate expected outcomes of the injection procedure, as defined for different use cases. These findings reveal the insertion phase as a critical yet previously underutilized control in drug injection and needle-based mechanical testing, and establishes pressure-depth monitoring as a real-time diagnostic tool. By eliminating reliance on visual confirmation, this approach can improve the robustness, scalability, and automation potential of needle-based injection methods, particularly in opaque, biological, or high-throughput environments.

基于针头的注射技术广泛用于药物输送、诊断和软材料表征,但插入过程对随后注射行为的机械影响仍然知之甚少。在这里,我们证明了膨胀腔的形态和抵抗压力不仅受材料特性的影响,而且可以被前面的针插入和回缩过程严重影响,甚至可靠地调节。为了研究插入过程,我们测量了液滴产生的压力,液滴最初悬浮在针头的尖端,然后被驱动穿过材料,以获得压力-深度曲线。这提供了不受沿针轴的摩擦力支配的撕裂阻力的局部测量。通过系统地改变两种不同软质材料的插入和收缩深度和速度,我们发现压力-深度曲线的特征可靠地指示了针对不同用例定义的注射过程的预期结果。这些发现表明,在药物注射和针头机械测试中,插入阶段是一个关键的、但以前未得到充分利用的控制,并建立了压力-深度监测作为实时诊断工具。通过消除对视觉确认的依赖,该方法可以提高针基注射方法的稳健性、可扩展性和自动化潜力,特别是在不透明、生物或高通量环境中。
{"title":"A novel approach to measure needle insertion responses and the overlooked impact of insertion on injection outcomes.","authors":"S Kiana Naghibzadeh, Hana Rudykh, Brendan M Unikewicz, Tal Cohen","doi":"10.1039/d5sm01023c","DOIUrl":"https://doi.org/10.1039/d5sm01023c","url":null,"abstract":"<p><p>Needle-based injection techniques are widely used in drug delivery, diagnostics, and soft material characterization, yet the mechanical influence of the insertion process on the ensuing injection behavior remains poorly understood. Here, we demonstrate that both the morphology of the expanded cavity and the resisting pressure are not only governed by material properties, but can be critically influenced, and even reliably modulated, by the preceding needle insertion and retraction processes. To investigate the insertion process, we measure the pressure developed in the droplet that is initially suspended at the tip of the needle and then driven through the material to obtain pressure-depth curves. This offers a local measure of tearing resistance that is not governed by frictional forces along the needle shaft. By systematically varying the insertion and retraction depths and speeds in two contrasting soft materials, we find that features in the pressure-depth curve reliably indicate expected outcomes of the injection procedure, as defined for different use cases. These findings reveal the insertion phase as a critical yet previously underutilized control in drug injection and needle-based mechanical testing, and establishes pressure-depth monitoring as a real-time diagnostic tool. By eliminating reliance on visual confirmation, this approach can improve the robustness, scalability, and automation potential of needle-based injection methods, particularly in opaque, biological, or high-throughput environments.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146117167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A new method to measure pore radius distribution of powders. 一种测量粉末孔半径分布的新方法。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-04 DOI: 10.1039/d5sm01199j
Yuechuan Lin, Josep Busom Descarrega, Ilaria Gaiani, Sidhanth Tyagi, Hans Jörg Limbach, Mark E Ambühl, Adam S Burbidge

The pore radius distribution plays a significant role in characterizing the porous structure of powder particles, yet quantifying radii spanning 100 nm-10 µm-including both open and closed pores-remains challenging. Here, we propose a new method to measure the pore radius distribution. The method comprises two parts. First, the cross-section radius distribution is measured by an automated routine combining scanning-electron-microscopy (SEM) and deep-learning models. Second, a novel algorithm was developed to convert the cross-section radius distribution into a pore radius distribution. This requires a numerical solution to Wicksell's corpuscle problem, where the new algorithm outperforms the commonly used Saltikov-GCO method. We apply the proposed method to powder samples and compare the result with data from synchrotron X-ray tomography. Our approach provides more information on the distribution and agrees with the result of synchrotron X-ray tomography at a larger scale. As a secondary outcome, the algorithm can also be applied to geology and metallurgy when 3D grain size distribution is calculated from 2D grain size distributions.

孔隙半径分布在表征粉末颗粒的孔隙结构中起着重要作用,但对100 nm-10 μ m范围内(包括开孔和闭孔)的半径进行量化仍然具有挑战性。本文提出了一种测量孔隙半径分布的新方法。该方法包括两部分。首先,通过结合扫描电子显微镜(SEM)和深度学习模型的自动程序测量截面半径分布。其次,提出了一种将截面半径分布转化为孔隙半径分布的新算法;这需要Wicksell小体问题的数值解,新算法优于常用的Saltikov-GCO方法。我们将提出的方法应用于粉末样品,并将结果与同步加速器x射线断层扫描数据进行比较。我们的方法提供了更多关于分布的信息,并与同步加速器x射线断层扫描在更大范围内的结果一致。其次,该算法还可以应用于地质和冶金领域,从二维粒度分布计算三维粒度分布。
{"title":"A new method to measure pore radius distribution of powders.","authors":"Yuechuan Lin, Josep Busom Descarrega, Ilaria Gaiani, Sidhanth Tyagi, Hans Jörg Limbach, Mark E Ambühl, Adam S Burbidge","doi":"10.1039/d5sm01199j","DOIUrl":"https://doi.org/10.1039/d5sm01199j","url":null,"abstract":"<p><p>The pore radius distribution plays a significant role in characterizing the porous structure of powder particles, yet quantifying radii spanning 100 nm-10 µm-including both open and closed pores-remains challenging. Here, we propose a new method to measure the pore radius distribution. The method comprises two parts. First, the cross-section radius distribution is measured by an automated routine combining scanning-electron-microscopy (SEM) and deep-learning models. Second, a novel algorithm was developed to convert the cross-section radius distribution into a pore radius distribution. This requires a numerical solution to Wicksell's corpuscle problem, where the new algorithm outperforms the commonly used Saltikov-GCO method. We apply the proposed method to powder samples and compare the result with data from synchrotron X-ray tomography. Our approach provides more information on the distribution and agrees with the result of synchrotron X-ray tomography at a larger scale. As a secondary outcome, the algorithm can also be applied to geology and metallurgy when 3D grain size distribution is calculated from 2D grain size distributions.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146117171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
One-pot polymer-clay composite reversible adhesive. 一罐聚合物-粘土复合可逆胶粘剂。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-04 DOI: 10.1039/d5sm01039j
Adriana Sierra-Romero, Emmanuel Abotsi, Katarina Novakovic, Mark Geoghegan

Polymer-clay composites are produced using emulsion polymerization to create water-based formulations that exhibit reversible adhesion, which is triggered by alkaline or acidic aqueous solutions. These adhesives produce lap shear strengths greater than 1 MPa on a variety of substrates. A polyanionic composite is prepared by incorporating negatively charged montmorillonite into an emulsion of styrene and butyl acrylate with poly(acrylic acid) grafted from the particles. An analogue polycationic composite is made by integrating positively charged hydrotalcite into an emulsion stabilized by the physisorption of chitosan. When two substrates are both coated with the polycationic composite, reversibility is observed under acidic conditions, whereas polyanionic composites exhibit similar behaviour under alkaline conditions. Notably, polyanionic composites fully detach from the substrates, eliminating the need for additional washing. Clays also enhance the rheological behaviour of the emulsions, increasing the viscosity at low shear rates by up to 8 and 800 times, for polyanionic and polycationic formulations, respectively. These composite adhesives are a key development for facilitating the dismantling of products and enhancing recycling efficiency.

聚合物-粘土复合材料是用乳液聚合技术生产出来的,可以通过碱性或酸性水溶液产生可逆性粘附。这些粘合剂在各种基材上产生大于1mpa的搭接剪切强度。将带负电荷的蒙脱土与接枝聚丙烯酸的苯乙烯和丙烯酸丁酯乳液相结合,制备了聚阴离子复合材料。通过将带正电的水滑石整合到壳聚糖物理吸附稳定的乳液中,制备了一种类似的多阳离子复合材料。当两个衬底都涂有聚阳离子复合材料时,在酸性条件下观察到可逆性,而聚阴离子复合材料在碱性条件下表现出类似的行为。值得注意的是,聚阴离子复合材料完全脱离基质,不需要额外的洗涤。粘土还增强了乳液的流变特性,在低剪切速率下,对于聚阴离子和聚阳离子配方,粘土的粘度分别提高了8倍和800倍。这些复合粘合剂是促进产品拆解和提高回收效率的关键发展。
{"title":"One-pot polymer-clay composite reversible adhesive.","authors":"Adriana Sierra-Romero, Emmanuel Abotsi, Katarina Novakovic, Mark Geoghegan","doi":"10.1039/d5sm01039j","DOIUrl":"https://doi.org/10.1039/d5sm01039j","url":null,"abstract":"<p><p>Polymer-clay composites are produced using emulsion polymerization to create water-based formulations that exhibit reversible adhesion, which is triggered by alkaline or acidic aqueous solutions. These adhesives produce lap shear strengths greater than 1 MPa on a variety of substrates. A polyanionic composite is prepared by incorporating negatively charged montmorillonite into an emulsion of styrene and butyl acrylate with poly(acrylic acid) grafted from the particles. An analogue polycationic composite is made by integrating positively charged hydrotalcite into an emulsion stabilized by the physisorption of chitosan. When two substrates are both coated with the polycationic composite, reversibility is observed under acidic conditions, whereas polyanionic composites exhibit similar behaviour under alkaline conditions. Notably, polyanionic composites fully detach from the substrates, eliminating the need for additional washing. Clays also enhance the rheological behaviour of the emulsions, increasing the viscosity at low shear rates by up to 8 and 800 times, for polyanionic and polycationic formulations, respectively. These composite adhesives are a key development for facilitating the dismantling of products and enhancing recycling efficiency.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Mean-field model for the bubble size distribution in coarsening wet foams. 粗化湿泡沫中气泡尺寸分布的平均场模型。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-04 DOI: 10.1039/d5sm01007a
Jacob Morgan, Simon Cox

Aqueous foams are subject to coarsening, whereby gas from the bubbles diffuses through the liquid phase. Gas is preferentially transported from small to large bubbles, resulting in a gradual decrease of the number of bubbles and an increase in the average bubble size. Coarsening foams are expected to approach a scaling state at late times in which their statistical properties are invariant. However, a model predicting the experimentally observed bubble-size distribution in the scaling state of foams with moderate liquid content, as a function of the liquid fraction ϕ, has not yet been developed. To this end, we propose a three-dimensional mean-field bubble growth law for foams without inter-bubble adhesion, validated against bubble-scale simulations, and use it to derive a prediction of the scaling-state bubble-size distribution for any ϕ from zero up to the unjamming transition ϕc ≈ 36%. We verify that the derived scaling state is approached from a variety of initial conditions using mean-field simulations implementing the proposed growth law. Comparing our predicted bubble-size distribution with previous simulations and experimental results, we likewise find a large population of small bubbles when ϕ > 0, but there are qualitative differences from prior results which we attribute to the absence of rattlers, i.e. bubbles not pressed into contact with their neighbours, in our model.

含水泡沫受到粗化的影响,由此气泡中的气体通过液相扩散。气体优先由小气泡向大气泡输送,导致气泡数量逐渐减少,平均气泡尺寸增大。粗化泡沫预计在后期接近标度状态,其中它们的统计性质是不变的。然而,还没有建立一个模型来预测在适度液体含量泡沫的结垢状态下实验观察到的气泡尺寸分布,作为液体分数φ的函数。为此,我们提出了一个三维平均场气泡生长规律,适用于没有气泡间粘附的泡沫,通过气泡尺度模拟进行验证,并使用它来预测从零到无干扰过渡时期的任意φ的缩放状态气泡尺寸分布。我们验证了推导出的标度状态是用实现所提出的增长定律的平均场模拟从各种初始条件接近的。将我们预测的气泡大小分布与先前的模拟和实验结果进行比较,我们同样发现当φ > 0时存在大量小气泡,但与先前的结果存在定性差异,我们将其归因于没有响尾蛇,即气泡没有与邻居接触,在我们的模型中。
{"title":"Mean-field model for the bubble size distribution in coarsening wet foams.","authors":"Jacob Morgan, Simon Cox","doi":"10.1039/d5sm01007a","DOIUrl":"https://doi.org/10.1039/d5sm01007a","url":null,"abstract":"<p><p>Aqueous foams are subject to coarsening, whereby gas from the bubbles diffuses through the liquid phase. Gas is preferentially transported from small to large bubbles, resulting in a gradual decrease of the number of bubbles and an increase in the average bubble size. Coarsening foams are expected to approach a scaling state at late times in which their statistical properties are invariant. However, a model predicting the experimentally observed bubble-size distribution in the scaling state of foams with moderate liquid content, as a function of the liquid fraction <i>ϕ</i>, has not yet been developed. To this end, we propose a three-dimensional mean-field bubble growth law for foams without inter-bubble adhesion, validated against bubble-scale simulations, and use it to derive a prediction of the scaling-state bubble-size distribution for any <i>ϕ</i> from zero up to the unjamming transition <i>ϕ</i><sub>c</sub> ≈ 36%. We verify that the derived scaling state is approached from a variety of initial conditions using mean-field simulations implementing the proposed growth law. Comparing our predicted bubble-size distribution with previous simulations and experimental results, we likewise find a large population of small bubbles when <i>ϕ</i> > 0, but there are qualitative differences from prior results which we attribute to the absence of rattlers, <i>i.e.</i> bubbles not pressed into contact with their neighbours, in our model.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146117228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Interplay between cortical adhesion and membrane bending regulates the formation of microparticles. 皮层粘附和膜弯曲之间的相互作用调节了微粒的形成。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1039/d5sm01237f
Arijit Mahapatra, Sage A Malingen, Padmini Rangamani

Cells release vesicles that serve important roles in long-range signaling and intercellular communication. These vesicles are released not just in response to stress, inflammation, injury, and chemoresistance, but also during homeostatic regulation. A particular class of vesicles called ectosomes or microparticles are released by the outward budding of the plasma membrane, a process which requires both the detachment of the membrane from the cortex and the exposure of negatively charged, curvature-inducing lipids such as phosphatidylserine from the inner leaflet to the outer leaflet. In this work, we develop a biophysical model that accounts for the interaction between these different factors. Using our model, we predict how linker properties influence outward budding of the plasma membrane and identify conditions that can promote or inhibit membrane curvature generation. These findings provide insight into the fundamental mechanisms underlying microparticle formation, elucidating the basic biology of this critical process. Further, these mechanistic insights may inspire techniques for inhibiting microparticles where they are harmful, such as chemoresistant drug efflux by tumor cells.

细胞释放囊泡,在远距离信号和细胞间通讯中起重要作用。这些囊泡不仅在应激、炎症、损伤和化学耐药的反应中释放,而且在稳态调节过程中也释放。一种特殊的囊泡被称为外胞体或微粒,是由质膜向外出芽而释放出来的,这一过程既需要膜与皮层分离,也需要带负电荷的脂质(如磷脂酰基丝氨酸)从内小叶暴露到外小叶。在这项工作中,我们开发了一个生物物理模型来解释这些不同因素之间的相互作用。利用我们的模型,我们预测了连接子特性如何影响质膜的外出芽,并确定了可以促进或抑制膜曲率产生的条件。这些发现提供了深入了解微粒形成的基本机制,阐明了这一关键过程的基本生物学。此外,这些机制的见解可能会启发抑制有害微颗粒的技术,例如肿瘤细胞的耐药药物外排。
{"title":"Interplay between cortical adhesion and membrane bending regulates the formation of microparticles.","authors":"Arijit Mahapatra, Sage A Malingen, Padmini Rangamani","doi":"10.1039/d5sm01237f","DOIUrl":"https://doi.org/10.1039/d5sm01237f","url":null,"abstract":"<p><p>Cells release vesicles that serve important roles in long-range signaling and intercellular communication. These vesicles are released not just in response to stress, inflammation, injury, and chemoresistance, but also during homeostatic regulation. A particular class of vesicles called ectosomes or microparticles are released by the outward budding of the plasma membrane, a process which requires both the detachment of the membrane from the cortex and the exposure of negatively charged, curvature-inducing lipids such as phosphatidylserine from the inner leaflet to the outer leaflet. In this work, we develop a biophysical model that accounts for the interaction between these different factors. Using our model, we predict how linker properties influence outward budding of the plasma membrane and identify conditions that can promote or inhibit membrane curvature generation. These findings provide insight into the fundamental mechanisms underlying microparticle formation, elucidating the basic biology of this critical process. Further, these mechanistic insights may inspire techniques for inhibiting microparticles where they are harmful, such as chemoresistant drug efflux by tumor cells.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146103178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Molecular picture of curing and incomplete cross-linking of epoxy at a solid interface. 环氧树脂在固体界面上固化和不完全交联的分子图。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1039/d5sm01089f
Satoru Yamamoto, Riichi Kuwahara, Keiji Tanaka

Understanding the buried interface between silica and epoxy resin is crucial for improving the performance and reliability of epoxy composites and adhesives. Here, molecular dynamics simulations were used to reveal a heterogeneous molecular picture of aggregation and curing at the amorphous silica/epoxy interface. A density increase was observed within 2 nm of the interface, driven by the orientation and packing of epoxy and amine molecules. Smaller amines segregated near the substrate, accelerating interfacial curing in the early stages. However, subsequent reactions slowed due to restricted mobility, resulting in a ∼10% lower conversion than in the bulk. Unreacted monomers and isolated fragments accumulated near the interface, indicating adverse effects on adhesion. These findings provide molecular-level insights into buried interfaces and inform strategies for improving adhesion and reliability in epoxy-based composites and adhesives.

了解二氧化硅和环氧树脂之间的埋藏界面对于提高环氧复合材料和粘合剂的性能和可靠性至关重要。在这里,分子动力学模拟揭示了非晶态二氧化硅/环氧树脂界面聚集和固化的非均匀分子图谱。在界面2 nm范围内,由于环氧和胺分子的取向和堆积,密度增加。较小的胺在基底附近分离,在早期阶段加速界面固化。然而,由于移动性受限,随后的反应减慢,导致转化率比散装低~ 10%。未反应的单体和分离的碎片聚集在界面附近,表明对粘附有不利影响。这些发现为研究埋藏界面提供了分子水平的见解,并为提高环氧基复合材料和粘合剂的附着力和可靠性提供了策略。
{"title":"Molecular picture of curing and incomplete cross-linking of epoxy at a solid interface.","authors":"Satoru Yamamoto, Riichi Kuwahara, Keiji Tanaka","doi":"10.1039/d5sm01089f","DOIUrl":"https://doi.org/10.1039/d5sm01089f","url":null,"abstract":"<p><p>Understanding the buried interface between silica and epoxy resin is crucial for improving the performance and reliability of epoxy composites and adhesives. Here, molecular dynamics simulations were used to reveal a heterogeneous molecular picture of aggregation and curing at the amorphous silica/epoxy interface. A density increase was observed within 2 nm of the interface, driven by the orientation and packing of epoxy and amine molecules. Smaller amines segregated near the substrate, accelerating interfacial curing in the early stages. However, subsequent reactions slowed due to restricted mobility, resulting in a ∼10% lower conversion than in the bulk. Unreacted monomers and isolated fragments accumulated near the interface, indicating adverse effects on adhesion. These findings provide molecular-level insights into buried interfaces and inform strategies for improving adhesion and reliability in epoxy-based composites and adhesives.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Accelerating ion transport by dynamic asymmetry of alternating polymer electrolytes. 交替聚合物电解质动态不对称加速离子输运。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-02 DOI: 10.1039/d5sm01160d
Bruno Jakobi, Karin J Bichler, Alice Klapproth, Richard A Mole, Gerald J Schneider

Polymer based electrolytes allow the absence of volatile components in batteries thus increasing their safety. Yet, they exhibit drawbacks based on their low conductivity. We have used an alternating polymer consisting of dimethyl siloxane (DMS) and ethylene glycol (EG) blocks to circumvent known disadvantages of the usually used polyethylene glycol (PEG). Incorporating dimethyl siloxane lowers the glass-transition temperature and thus reduces the segmental relaxation time, by dynamic asymmetry or internal plasticization of the constituting polymer blocks. The alternating structure ensures miscibility of the different components and hinders crystallization. Furthermore, the pure polymer, P(DMS3-alt-EG4), shows a segmental relaxation time well in the range needed for polymer electrolytes. Mixtures of LiClO4 and P(DMS3-alt-EG4) show a drastically reduced temperature dependence of their DC conductivity in comparison to PEG based systems, resulting in an increase by two orders of magnitude at T = 5 °C and even three to four orders of magnitude at T = 0 °C. Addition of coordinating (acetonitrile) or non-coordinating (toluene) solvent increases conductivity either via additional plasticization or by weakening the Li-binding yet looking at the dynamics at low concentrations of additional solvent the mobility of the polymer is reduced. The solvent addition leads only at higher solvent concentration to a reduction in relaxation time.

聚合物电解质允许电池中没有挥发性成分,从而提高其安全性。然而,它们表现出基于其低导电性的缺点。我们使用了一种由二甲基硅氧烷(DMS)和乙二醇(EG)块组成的交替聚合物来规避通常使用的聚乙二醇(PEG)的已知缺点。加入二甲基硅氧烷降低了玻璃化转变温度,从而通过构成聚合物块的动态不对称或内部塑化减少了节段弛豫时间。交替结构保证了不同组分的混溶,阻碍了结晶。此外,纯聚合物P(DMS3-alt-EG4)的节段弛豫时间在聚合物电解质所需的范围内。与基于PEG的体系相比,LiClO4和P(DMS3-alt-EG4)的混合物显示出其直流电导率的温度依赖性大大降低,导致在T = 5°C时增加两个数量级,甚至在T = 0°C时增加三到四个数量级。添加配位溶剂(乙腈)或非配位溶剂(甲苯)可以通过额外的塑化或削弱锂结合来增加导电性,但在低浓度的附加溶剂下观察动力学,聚合物的迁移率降低。只有在较高的溶剂浓度下,溶剂的加入才会导致弛豫时间的减少。
{"title":"Accelerating ion transport by dynamic asymmetry of alternating polymer electrolytes.","authors":"Bruno Jakobi, Karin J Bichler, Alice Klapproth, Richard A Mole, Gerald J Schneider","doi":"10.1039/d5sm01160d","DOIUrl":"https://doi.org/10.1039/d5sm01160d","url":null,"abstract":"<p><p>Polymer based electrolytes allow the absence of volatile components in batteries thus increasing their safety. Yet, they exhibit drawbacks based on their low conductivity. We have used an alternating polymer consisting of dimethyl siloxane (DMS) and ethylene glycol (EG) blocks to circumvent known disadvantages of the usually used polyethylene glycol (PEG). Incorporating dimethyl siloxane lowers the glass-transition temperature and thus reduces the segmental relaxation time, by dynamic asymmetry or internal plasticization of the constituting polymer blocks. The alternating structure ensures miscibility of the different components and hinders crystallization. Furthermore, the pure polymer, P(DMS<sub>3</sub>-<i>alt</i>-EG<sub>4</sub>), shows a segmental relaxation time well in the range needed for polymer electrolytes. Mixtures of LiClO<sub>4</sub> and P(DMS<sub>3</sub>-<i>alt</i>-EG<sub>4</sub>) show a drastically reduced temperature dependence of their DC conductivity in comparison to PEG based systems, resulting in an increase by two orders of magnitude at <i>T</i> = 5 °C and even three to four orders of magnitude at <i>T</i> = 0 °C. Addition of coordinating (acetonitrile) or non-coordinating (toluene) solvent increases conductivity either <i>via</i> additional plasticization or by weakening the Li-binding yet looking at the dynamics at low concentrations of additional solvent the mobility of the polymer is reduced. The solvent addition leads only at higher solvent concentration to a reduction in relaxation time.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146099618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Order-disorder transition in soft and deformable particle assembly with dynamic size-dispersity in two dimensions. 具有二维动态尺寸分散的柔性可变形粒子组合的有序-无序转变。
IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-02 DOI: 10.1039/d5sm01097g
Rahul Kumar, Sangwoo Lee, Patrick T Underhill

Soft and deformable objects are widespread in natural and synthetic systems, including micellar domains, microgel particles, foams, and biological cells. Understanding their phase behavior at high concentrations is crucial for controlling long-range order. Here, we employ a Voronoi-based model to study the packing of deformable particles in two dimensions under thermal fluctuations. Particles are represented as interconnected polygons, with the system energy comprising penalties for deviations in area and perimeter from preferred values. The strengths of these penalties capture two key features of packing: dynamic size dispersity, mimicking chain exchange in block copolymer micelles or solvent exchange in microgels, and particle line tension, reflecting the energy cost of shape changes. The model exhibits an order-disorder transition (ODT): low perimeter penalties yield disordered states, while higher penalties produce a hexagonal crystal lattice. Large dynamic size dispersity shifts the ODT to higher perimeter penalties. We explain this by analyzing particle sizes, defect formation barriers, and Voronoi entropy, which show that defect formation is easier when the area penalty term is smaller, providing a mechanistic basis for the ODT trends. In regimes far from ODT, deviations from the hexagonal lattice are accurately described by normal mode displacement fields, confirming that thermal fluctuations rather than defects govern the structure.

柔软和可变形的物体在自然和合成系统中广泛存在,包括胶束域、微凝胶颗粒、泡沫和生物细胞。了解它们在高浓度下的相行为对于控制长程有序是至关重要的。在这里,我们采用基于voronoi的模型来研究热波动下二维可变形颗粒的堆积。粒子被表示为相互连接的多边形,系统能量包括对面积和周长偏离首选值的惩罚。这些微粒的优势体现了填料的两个关键特征:动态尺寸分散性,模拟嵌段共聚物胶束中的链交换或微凝胶中的溶剂交换,以及颗粒线张力,反映形状变化的能量成本。该模型表现出有序-无序过渡(ODT):低周长罚分产生无序状态,而高周长罚分产生六方晶格。大的动态尺寸分散使ODT转向更高的周长惩罚。我们通过分析颗粒尺寸、缺陷形成障碍和Voronoi熵来解释这一点,结果表明,当面积惩罚项较小时,缺陷形成更容易,这为ODT趋势提供了机制基础。在远离ODT的状态下,从六边形晶格的偏差被准确地描述为正模位移场,证实了热波动而不是缺陷控制结构。
{"title":"Order-disorder transition in soft and deformable particle assembly with dynamic size-dispersity in two dimensions.","authors":"Rahul Kumar, Sangwoo Lee, Patrick T Underhill","doi":"10.1039/d5sm01097g","DOIUrl":"https://doi.org/10.1039/d5sm01097g","url":null,"abstract":"<p><p>Soft and deformable objects are widespread in natural and synthetic systems, including micellar domains, microgel particles, foams, and biological cells. Understanding their phase behavior at high concentrations is crucial for controlling long-range order. Here, we employ a Voronoi-based model to study the packing of deformable particles in two dimensions under thermal fluctuations. Particles are represented as interconnected polygons, with the system energy comprising penalties for deviations in area and perimeter from preferred values. The strengths of these penalties capture two key features of packing: dynamic size dispersity, mimicking chain exchange in block copolymer micelles or solvent exchange in microgels, and particle line tension, reflecting the energy cost of shape changes. The model exhibits an order-disorder transition (ODT): low perimeter penalties yield disordered states, while higher penalties produce a hexagonal crystal lattice. Large dynamic size dispersity shifts the ODT to higher perimeter penalties. We explain this by analyzing particle sizes, defect formation barriers, and Voronoi entropy, which show that defect formation is easier when the area penalty term is smaller, providing a mechanistic basis for the ODT trends. In regimes far from ODT, deviations from the hexagonal lattice are accurately described by normal mode displacement fields, confirming that thermal fluctuations rather than defects govern the structure.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146099657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
期刊
Soft Matter
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1