Soft Matter最新文献_第10页

Effect of polyacrylamide gel elasticity on collagen type II fibril assembly† 聚丙烯酰胺凝胶弹性对II型胶原原纤维组装的影响。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-05 DOI: 10.1039/D4SM01104J

Kathryn G. Wilcox, Stephanie Kramer, Surajit Chatterjee, Adam Linscott, Sneha Suresh, Lydia Kisley and Svetlana Morozova

{"title":"Effect of polyacrylamide gel elasticity on collagen type II fibril assembly†","authors":"Kathryn G. Wilcox, Stephanie Kramer, Surajit Chatterjee, Adam Linscott, Sneha Suresh, Lydia Kisley and Svetlana Morozova","doi":"10.1039/D4SM01104J","DOIUrl":"10.1039/D4SM01104J","url":null,"abstract":"Collagen type II fibrils provide structural integrity to the articular cartilage extracellular matrix. However, the conditions that control the fibril radial size scale, distribution, and formation inside of dense networks are not well understood. We have investigated how surrounding elastic networks affect fibril formation by observing the structure and dynamics of collagen type II in model polyacrylamide gels of varying moduli. Cryogenic transmission electron microscopy (cryo-TEM) is used to image the fibril structure and is verified qualitatively with optical microscopy of fluorescently-tagged collagen within the gels. Using fluorescence correlation spectroscopy super-resolution optical fluctuation imaging (fcsSOFI), the diffusion dynamics of the collagen in low pH and neutral pH conditions are determined. Overall, the fibril bundle diameter and concentration were found to decrease as a function of gel modulus. The single fibril diameter remains constant at 30 nm within the gels; however, the diameter was found to be smaller when compared to in solution. Additionally, the mode of diffusion of the collagen triple helices changes within gel environments, decreasing the diffusion coefficient. Understanding the intricate relationship between network topology and collagen type II fibril formation is crucial in gaining deeper insights into the transport phenomena within complex acellular tissues that are necessary for the development of future therapeutic materials.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 1","pages":" 137-147"},"PeriodicalIF":2.9,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618509/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced diffusion through multivalency† 通过多价性增强扩散。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-04 DOI: 10.1039/D4SM00778F

Ladislav Bartoš, Mikael Lund and Robert Vácha

{"title":"Enhanced diffusion through multivalency†","authors":"Ladislav Bartoš, Mikael Lund and Robert Vácha","doi":"10.1039/D4SM00778F","DOIUrl":"10.1039/D4SM00778F","url":null,"abstract":"The diffusion of macromolecules, nanoparticles, viruses, and bacteria is essential for targeting hosts or cellular destinations. While these entities can bind to receptors and ligands on host surfaces, the impact of multiple binding sites—referred to as multivalency—on diffusion along strands or surfaces is poorly understood. Through numerical simulations, we have discovered a significant acceleration in diffusion for particles with increasing valency, while maintaining the same overall affinity to the host surface. This acceleration arises from the redistribution of the binding affinity of the particle across multiple binding ligands. As a result, particles that are immobilized when monovalent can achieve near-unrestricted diffusion upon becoming multivalent. Additionally, we demonstrate that the diffusion of multivalent particles with a rigid ligand distribution can be modulated by patterned host receptors. These findings provide insights into the complex diffusion mechanisms of multivalent particles and biological entities, and offer new strategies for designing advanced nanoparticle systems with tailored diffusion properties, thereby enhancing their effectiveness in applications such as drug delivery and diagnostics.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 2","pages":" 179-185"},"PeriodicalIF":2.9,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11615653/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142765007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational self-assembly of a six-fold chiral quasicrystal 六重手性准晶体的计算自组装。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-04 DOI: 10.1039/D4SM00933A

Nydia Roxana Varela-Rosales and Michael Engel

{"title":"Computational self-assembly of a six-fold chiral quasicrystal","authors":"Nydia Roxana Varela-Rosales and Michael Engel","doi":"10.1039/D4SM00933A","DOIUrl":"10.1039/D4SM00933A","url":null,"abstract":"Quasicrystals are unique materials characterized by long-range order without periodicity. They are observed in systems such as metallic alloys, soft matter, and particle simulations. Unlike periodic crystals, which are invariant under real-space symmetry operations, quasicrystals possess symmetry that requires description by a space group in reciprocal space. In this study, we report the self-assembly of a six-fold chiral quasicrystal using molecular dynamics simulations of a two-dimensional particle system. The particles interact via the Lennard-Jones–Gauss pair potential and are subjected to a periodic substrate potential. We confirm the presence of chiral symmetry through diffraction patterns and order parameters, revealing unique local motifs in both real and reciprocal space. The quasicrystal's properties, including the tiling structure and symmetry and the extent of diffuse scattering, are strongly influenced by substrate potential depth and temperature. Our results provide insights into the mechanisms of chiral quasicrystal formation and the role and potential of external fields in tailoring quasicrystal structures.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 4","pages":" 596-603"},"PeriodicalIF":2.9,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d4sm00933a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798711","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nanoparticle adhesion at liquid interfaces† 纳米颗粒在液体界面的粘附。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-04 DOI: 10.1039/D4SM01101E

Ke Sun, Yonas Gizaw, Halim Kusumaatmaja and Kislon Voïtchovsky

{"title":"Nanoparticle adhesion at liquid interfaces†","authors":"Ke Sun, Yonas Gizaw, Halim Kusumaatmaja and Kislon Voïtchovsky","doi":"10.1039/D4SM01101E","DOIUrl":"10.1039/D4SM01101E","url":null,"abstract":"Nanoparticle adhesion at liquid interfaces plays an important role in drug delivery, dust removal, the adsorption of aerosols, and controlled self-assembly. However, quantitative measurements of capillary interactions at the nanoscale are challenging, with most existing results at the micrometre to millimetre scale. Here, we combine atomic force microscopy (AFM) and computational simulations to investigate the adhesion and removal of nanoparticles from liquid interfaces as a function of the particles’ geometry and wettability. Experimentally, AFM tips with controlled conical geometries are used to mimic the nano-asperities on natural nanoparticles interacting with silicone oil, a model liquid for many engineering applications including liquid-infused surfaces. Computationally, continuum modelling with the Surface Evolver software allows us to visualise the interface configuration and predict the expected force profile from energy minimisation. Quantitative agreement between the experimental measurements and the computational simulations validates the use of continuum thermodynamics concepts down to the nanoscale. We demonstrate that the adhesion of the nanoparticles is primarily controlled by surface tension, with minimum line tension contribution. The particle geometry is the main factor affecting the length of the capillary bridge before rupture. Both the particle geometry and liquid contact angle determine the shape of the adhesion force profile upon removal of the particle from the interface. We further extend our simulations to explore more complex geometries, rationalising the results from experiments with imperfect AFM tips. Our results could help towards the design of smart interfaces, for example, able to attract or repel specific particles based on their shape and chemistry.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 4","pages":" 585-595"},"PeriodicalIF":2.9,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d4sm01101e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular mobility of thin films of poly(bisphenol-A carbonate) capped and with one free surface: from bulk-like samples down to the adsorbed layer† 聚（双酚a -碳酸酯）薄膜的分子迁移率覆盖和一个自由表面：从块状样品到吸附层。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-04 DOI: 10.1039/D4SM01238K

Hassan Omar, Shayan Ahmadi, Paulina Szymoniak and Andreas Schönhals

{"title":"Molecular mobility of thin films of poly(bisphenol-A carbonate) capped and with one free surface: from bulk-like samples down to the adsorbed layer†","authors":"Hassan Omar, Shayan Ahmadi, Paulina Szymoniak and Andreas Schönhals","doi":"10.1039/D4SM01238K","DOIUrl":"10.1039/D4SM01238K","url":null,"abstract":"The molecular mobility of thin films of poly(bisphenol A carbonate) (PBAC) was systematically investigated using broadband dielectric spectroscopy, employing two distinct electrode configurations. First, films were prepared in a capped geometry between aluminum electrodes employing a crossed electrode capacitor (CEC) configuration, down to film thicknesses of 40 nm. The Vogel temperature, derived from the temperature dependence of relaxation rates of the α-relaxation, increases with decreasing film thickness characterized by an onset thickness. The onset thickness depends on the annealing conditions, with less intense annealing yielding a lower onset thickness. Additionally, a broadening of the β-relaxation peak was observed with decreasing thickness, attributed to the interaction of phenyl groups with thermally evaporated aluminum, resulting in a shift of certain relaxation modes to higher temperatures relative to the bulk material. A novel phenomenon, termed the slow Arrhenius process (SAP), was also identified in proximity to the α-relaxation temperature. For films with thicknesses below 40 nm, nanostructured electrodes (NSE) were utilized, incorporating nanostructured silica spacers to establish a free surface with air. This free surface causes an enhancement in the molecular mobility for the 40 nm sample, preserving the β-relaxation as a distinct peak. The α-relaxation was detectable in the dielectric loss down to 18 nm, shifting to higher temperatures as film thickness is decreased. Notably, the onset thickness for the increase in Vogel temperature was lower in the NSE configuration compared to the CEC setup, attributed to the presence of the polymer–air interface.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 2","pages":" 241-254"},"PeriodicalIF":2.9,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d4sm01238k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Adsorption kinetics and solubilisation of ciprofloxacin in quaternary ammonium-based surface-active compounds: experimental and computational study† 环丙沙星在季铵盐表面活性化合物中的吸附动力学和增溶：实验和计算研究。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-04 DOI: 10.1039/D4SM00936C

Ab Raouf Bhat and Rajan Patel

{"title":"Adsorption kinetics and solubilisation of ciprofloxacin in quaternary ammonium-based surface-active compounds: experimental and computational study†","authors":"Ab Raouf Bhat and Rajan Patel","doi":"10.1039/D4SM00936C","DOIUrl":"10.1039/D4SM00936C","url":null,"abstract":"The adsorption and aggregation of amphiphiles at different solvent interfaces are of great scientific and technological importance. In this study, interfacial tension measurements of surface-active compounds—ionic liquid 2-dodecyl-2,2dimethylethanolammonium bromide (12Cho.Br) and cationic surfactant cetyltrimethylammonium bromide (CTAB)—were conducted both in the absence and presence of ciprofloxacin (CIP). Equilibrium interfacial tension (EIFT) measurements and conductivity data demonstrate the effect of CIP on the critical micellar concentration and surface excess concentration of 12Cho.Br and CTAB. Additionally, dynamic interfacial tension (DIFT) measurements were performed to compare the interfacial tension of pure 12Cho.Br and CTAB solutions, as well as those in the presence of the drug (with and without 0.3% acetic acid), as a function of time. The DIFT analysis revealed that the adsorption of 12Cho.Br and CTAB at the air–water interface followed a mixed diffusion-adsorption controlled mechanism. The adsorption processes of 12Cho.Br and CTAB molecules were studied over short time intervals (t → 0) and longer time intervals (t → ∞). The adsorption behaviour was correlated with concentration and the presence of energy barriers. In the presence of CIP, the diffusion coefficient was compared to that of the pure 12Cho.Br and CTAB systems to assess its effect on adsorption and to validate the participation of CIP in DIFT relaxations. Additionally, DIFT measurements were employed to investigate CIP solubility in different SAC systems. Data from the relaxation profiles across a range of concentrations were used to determine the solubility limit of the drug molecules. The solubility data obtained from DIFT correlates strongly with the UV spectroscopy results. Furthermore, DFT calculations provide insights into the frontier orbital structures and physicochemical parameters of complex formations.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 4","pages":" 626-640"},"PeriodicalIF":2.9,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142918756","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

Droplets sliding on soft solids shed elastocapillary rails† 液滴在软固体上滑动，形成弹性毛细管轨道。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-03 DOI: 10.1039/D4SM01041H

Nan Xue, Lawrence A. Wilen, Robert W. Style and Eric R. Dufresne

{"title":"Droplets sliding on soft solids shed elastocapillary rails†","authors":"Nan Xue, Lawrence A. Wilen, Robert W. Style and Eric R. Dufresne","doi":"10.1039/D4SM01041H","DOIUrl":"10.1039/D4SM01041H","url":null,"abstract":"The surface tension of partially wetting droplets deforms soft substrates. These deformations are usually localized to a narrow region near the contact line, forming a so-called ‘elastocapillary ridge.’ When a droplet slides along a substrate, the movement of the elastocapillary ridge dissipates energy in the substrate and slows the droplet down. Previous studies have analyzed isotropically spreading droplets and found that the advancing contact line ‘surfs’ the elastocapillary ridge, with a velocity determined by a local balance of capillary forces and bulk rheology. Here, we experimentally explore the dynamics of a droplet sliding across soft substrates. At low velocities, the contact line is nearly circular, and dissipation increases logarithmically with speed. At higher droplet velocities, the contact line adopts a bullet-like shape, and the drag force levels off. At the same time, droplets shed a pair of ‘elastocapillary rails’ that fade away slowly behind them. These results suggest that sliding along the parallel edges of a bullet-shaped droplet dissipates less energy than surfing the wetting ridges at the front and back.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 2","pages":" 209-215"},"PeriodicalIF":2.9,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/sm/d4sm01041h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142783417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dissipative particle dynamics simulations on the self-assembly of rod-coil asymmetric diblock molecular brushes bearing responsive side chains† 带有响应侧链的棒圈非对称双块分子刷自组装的耗散粒子动力学模拟。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-03 DOI: 10.1039/D4SM01232A

Hao Zhu, Weisheng Feng, Yueyao Wang, Zhengyi Li, Binbin Xu and Shaoliang Lin

{"title":"Dissipative particle dynamics simulations on the self-assembly of rod-coil asymmetric diblock molecular brushes bearing responsive side chains†","authors":"Hao Zhu, Weisheng Feng, Yueyao Wang, Zhengyi Li, Binbin Xu and Shaoliang Lin","doi":"10.1039/D4SM01232A","DOIUrl":"10.1039/D4SM01232A","url":null,"abstract":"The self-assembly behaviors of rod-coil asymmetric diblock molecular brushes (ADMBs) bearing responsive side chains in a selective solvent are investigated via dissipative particle dynamics simulations. By systematically varying the polymerization degree, copolymer concentration, and side chain length, several morphological phase diagrams were constructed. ADMB assemblies exhibited a rich variety of morphologies, including cylindrical micelles, spherical micelles, nanowires, polyhedral micelles, ellipsoid micelles, and large compound micelles. The structures of the representative nanowires were analyzed in detail. A kinetics study revealed that the one-dimensional growth of nanowires follows the step-growth polymerization mechanism. Besides, by calculating the local order parameter of the rigid chains, we found that increasing the lengths of A and C side chains can promote the ordered arrangement of the rigid chains. Moreover, the rod-to-coil conformation transitions were simulated to explore the stimuli-responsive behaviors of ADMBs with responsive rigid side chains. The simulation results indicated that the volume of the assemblies expanded without the support of the rigid chains. The present work not only provides a comprehensive understanding of the self-assembly behaviors of ADMBs but also provides meaningful theoretical support for the development of novel molecular brush materials.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 2","pages":" 255-261"},"PeriodicalIF":2.9,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142805650","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

Spatiotemporal evolution of heterogeneous structures in agarose gels revealed by particle tracking† 琼脂糖凝胶中非均相结构的时空演化

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-03 DOI: 10.1039/D4SM01122H

Naoya Yanagisawa, Takemi Hara and Miho Yanagisawa

引用次数: 0

Ultrahigh yields of giant vesicles obtained through mesophase evolution and breakup† 通过中间相演化和破裂获得超高产量的巨囊泡。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-12-02 DOI: 10.1039/D4SM01109K

Alexis Cooper and Anand Bala Subramaniam

{"title":"Ultrahigh yields of giant vesicles obtained through mesophase evolution and breakup†","authors":"Alexis Cooper and Anand Bala Subramaniam","doi":"10.1039/D4SM01109K","DOIUrl":"10.1039/D4SM01109K","url":null,"abstract":"Self-assembly of dry amphiphilic lipid films on surfaces upon hydration is a crucial step in the formation of cell-like giant unilamellar vesicles (GUVs). GUVs are useful as biophysical models, as soft materials, as chassis for bottom-up synthetic biology, and in biomedical applications. Here via combined quantitative measurements of the molar yield and distributions of sizes and high-resolution imaging of the evolution of thin lipid films on surfaces, we report the discovery of a previously unknown pathway of lipid self-assembly which can lead to ultrahigh yields of GUVs of >50%. This yield is about 60% higher than any GUV yield reported to date. The “shear-induced fragmentation” pathway occurs in membranes containing 3 mol% of the poly(ethylene glycol) modified lipid PEG2000-DSPE (1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[methoxy(polyethylene glycol)-2000]), when a lipid-dense foam-like mesophase forms upon hydration. The membranes in the mesophase fragment and close to form GUVs upon application of fluid shear. Experiments with varying mol% of PEG2000-DSPE and with lipids with partial molecular similarity to PEG2000-DSPE show that ultrahigh yields are only achievable under conditions where the lipid-dense mesophase forms. The increased yield of GUVs compared to mixtures without PEG2000-DSPE was general to flat supporting surfaces such as stainless steel sheets and to various lipid mixtures. In addition to increasing their accessibility as soft materials, these results demonstrate a route to obtaining ultrahigh yields of cell-sized liposomes using longstanding clinically-approved lipid formulations that could be useful for biomedical applications.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" 48","pages":" 9547-9561"},"PeriodicalIF":2.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/sm/d4sm01109k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142765040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0