Shape Transition Research Articles

Morphological transformations of vesicles with confined flexible filaments

A fundamental understanding of cell shaping with confined flexible filaments, including microtubules, actin filaments, and engineered nanotubes, has been limited by the complex interplay between the cell membrane and encapsulated filaments. Here, combining theoretical modeling and molecular dynamics simulations, we investigate the packing of an open or closed filament inside a vesicle. Depending on the relative stiffness and size of the filament to the vesicle as well as the osmotic pressure, the vesicle could evolve from an axisymmetric configuration to a general configuration with a maximum of three reflection planes, and the filament could bend in or out of plane or even coil up. A plethora of system morphologies are determined. Morphological phase diagrams predicting conditions of shape and symmetry transitions are established. Organization of actin filaments or bundles, microtubules, and nanotube rings inside vesicles, liposomes, or cells are discussed. Our results provide a theoretical basis to understand cell shaping and cellular stability and to help guide the development and design of artificial cells and biohybrid microrobots.

Rapid-actuating high-Tg shape memory polyimide composites with synergistic “micro-nano” thermal conduction networks

Shape memory polyimide (SMPI) is one of the most promising intelligent materials and has a high potential for deformable flexible electrodes, intelligent thermal management devices, and high temperature active deployable structures, etc. In this paper, silane-modified AlN nanoparticles (M-AlN) are composited with SMPI matrix resin to prepare fast-response high-Tg shape memory composites. Besides, nano-sized AlN and micron-sized Al2O3 are used to construct “micro-nano” synergistic thermal conduction networks, in which the AlN acted as the “thermal conduction island”, and the Al2O3 acted as the “thermal conduction bridge”. The results show that the in-plane thermal conductivity of Al2O3/M-AlN/M-SMPI-2 is 5.99 W m−1K−1, compared with SMPI, its thermal conductivity increases by 91%. In addition, the shape transition temperature of Al2O3/M-AlN/M-SMPI-2 was higher than that of pure SMPI, which was at 426 °C, and the thermal response shape recovery speed is also greatly improved by 433%, which can be used in rapid-actuating and high temperature active deformation structure.

A shark-inspired general model of tooth morphogenesis unveils developmental asymmetries in phenotype transitions

Developmental complexity stemming from the dynamic interplay between genetic and biomechanic factors canalizes the ways genotypes and phenotypes can change in evolution. As a paradigmatic system, we explore how changes in developmental factors generate typical tooth shape transitions. Since tooth development has mainly been researched in mammals, we contribute to a more general understanding by studying the development of tooth diversity in sharks. To this end, we build a general, but realistic, mathematical model of odontogenesis. We show that it reproduces key shark-specific features of tooth development as well as real tooth shape variation in small-spotted catsharks Scyliorhinus canicula. We validate our model by comparison with experiments in vivo. Strikingly, we observe that developmental transitions between tooth shapes tend to be highly degenerate, even for complex phenotypes. We also discover that the sets of developmental parameters involved in tooth shape transitions tend to depend asymmetrically on the direction of that transition. Together, our findings provide a valuable base for furthering our understanding of how developmental changes can lead to both adaptive phenotypic change and trait convergence in complex, phenotypically highly diverse, structures.

Structural Changes in Liposomal Vesicles in Association with Sodium Taurodeoxycholate.

Liposomes composed of soy lecithin (SL) have been studied widely for drug delivery applications. The stability and elasticity of liposomal vesicles are improved by incorporating additives, including edge activators. In this study, we report the effect of sodium taurodeoxycholate (STDC, a bile salt) upon the microstructural characteristics of SL vesicles. Liposomes, prepared by the thin film hydration method, were characterized by dynamic light scattering (DLS), small-angle neutron scattering (SANS), electron microscopy, and rheological techniques. We noticed a reduction in the size of vesicles with the incremental addition of STDC. Initial changes in the size of spherical vesicles were ascribed to the edge-activating action of STDC (0.05 to 0.17µM). At higher concentrations (0.23 to 0.27µM), these vesicles transformed into cylindrical structures. Morphological transitions at higher STDC concentrations would have occurred due to its hydrophobic interaction with SL molecules in the bilayer. This was ascertained from nuclear magnetic resonance observations. Whereas shape transitions underscored the deformability of vesicles in the presence of STDC, the consistency of bilayer thickness ruled out any dissociative effect. It was interesting to notice that SL-STDC mixed structures could survive high thermal stress, electrolyte addition, and dilution.

A framework for exploring futures of complex urban energy systems

In order to address the climate crisis and provide citizens with clean, secure and affordable energy, urban energy systems need to transition. This is significant as urban energy systems are increasingly seen as complex systems for their close interactions with local urban society, while being interdependent with higher levels of governance. Decisions taken today will continue to influence the inhabitants of our cities for well over 50 years, locking in energy consumption patterns of the future. How, then, do we make decisions on the interventions needed to bring about a desirable future, and prepare for the probable and possible futures? In this paper, we consider the key characteristics of urban energy systems from a complexity science perspective in order to explore what methodologies in futures and foresight scholarship could be beneficial in supporting urban energy decision-making. To do this we have undertaken an integrative review—a method that allows review, synthesis, critique, and analysis of new and emerging topics across multiple disciplines and multiple literature types—and consider the findings in light of their usefulness in understanding complex systems, which are inherently uncertain. We consider how futures and foresight theories and methods can be applied in urban and energy studies, highlighting examples of where around the world these have been applied by organizations seeking to shape transitions. The many methods and approaches that exist under the futures' umbrella have not been applied to anywhere near their full potential in urban energy studies, despite the limitations of many of the planning and modeling exercises currently used. We use key learnings from existing futures and foresight scholarship, along with our understanding of urban energy systems as complex adaptive systems, to propose a theoretical and practical framework for exploring their futures. The framework encompasses concepts of futures, contextualization, mapping uncertainty, participatory processes, and futures governance. Although there is much further research work needed to test and operationalize this framework in an applied way with city stakeholders, we hope this charts a way forward in addressing the critical challenges faced by urban energy planners and their partners.

Long-term administration of Western diet induced metabolic syndrome in mice and causes cardiac microvascular dysfunction, cardiomyocyte mitochondrial damage, and cardiac remodeling involving caveolae and caveolin-1 expression

BackgroundLong-term consumption of an excessive fat and sucrose diet (Western diet, WD) has been considered a risk factor for metabolic syndrome (MS) and cardiovascular disease. Caveolae and caveolin-1 (CAV-1) proteins are involved in lipid transport and metabolism. However, studies investigating CAV-1 expression, cardiac remodeling, and dysfunction caused by MS, are limited. This study aimed to investigate the correlation between the expression of CAV-1 and abnormal lipid accumulation in the endothelium and myocardium in WD-induced MS, and the occurrence of myocardial microvascular endothelial cell dysfunction, myocardial mitochondrial remodeling, and damage effects on cardiac remodeling and cardiac function.MethodsWe employed a long-term (7 months) WD feeding mouse model to measure the effect of MS on caveolae/vesiculo-vacuolar organelle (VVO) formation, lipid deposition, and endothelial cell dysfunction in cardiac microvascular using a transmission electron microscopy (TEM) assay. CAV-1 and endothelial nitric oxide synthase (eNOS) expression and interaction were evaluated using real-time polymerase chain reaction, Western blot, and immunostaining. Cardiac mitochondrial shape transition and damage, mitochondria-associated endoplasmic reticulum membrane (MAM) disruption, cardiac function change, caspase-mediated apoptosis pathway activation, and cardiac remodeling were examined using TEM, echocardiography, immunohistochemistry, and Western blot assay.ResultsOur study demonstrated that long-term WD feeding caused obesity and MS in mice. In mice, MS increased caveolae and VVO formation in the microvascular system and enhanced CAV-1 and lipid droplet binding affinity. In addition, MS caused a significant decrease in eNOS expression, vascular endothelial cadherin, and β-catenin interactions in cardiac microvascular endothelial cells, accompanied by impaired vascular integrity. MS-induced endothelial dysfunction caused massive lipid accumulation in the cardiomyocytes, leading to MAM disruption, mitochondrial shape transition, and damage. MS promoted brain natriuretic peptide expression and activated the caspase-dependent apoptosis pathway, leading to cardiac dysfunction in mice.ConclusionMS resulted in cardiac dysfunction, remodeling by regulating caveolae and CAV-1 expression, and endothelial dysfunction. Lipid accumulation and lipotoxicity caused MAM disruption and mitochondrial remodeling in cardiomyocytes, leading to cardiomyocyte apoptosis and cardiac dysfunction and remodeling.

Long time behavior of run-and-tumble particles in two dimensions

We study the long-time asymptotic behavior of the position distribution of a run-and-tumble particle (RTP) in two dimensions in the presence of translational diffusion and show that the distribution at a time t can be expressed as a perturbative series in , where γ −1 is the persistence time of the RTP. We show that the higher order corrections to the leading order Gaussian distribution generically satisfy an inhomogeneous diffusion equation where the source term depends on the previous order solutions. The explicit solution of the inhomogeneous equation requires the position moments, and we develop a recursive formalism to compute the same. We find that the subleading corrections undergo shape transitions as the translational diffusion is increased.

Thermally-modulated shape transition at the interface of soft gel filament and hydrophobic substrate

A liquid filament may pinch off into different shapes on interacting with a soft surface, as modulated by the interplay of inertial, capillary, and viscous forces. While similar shape transitions may intuitively be realized for more complex materials such as soft gel filaments as well, their intricate controllability towards deriving precise and stable morphological features remains challenging, as attributed to the complexities stemming from the underlying interfacial interactions over the relevant length and time scales during the sol–gel transition process. Circumventing these deficits in the reported literature, here we report a new means of precisely-controlled fabrication of gel microbeads via exploiting thermally-modulated instabilities of a soft filament atop a hydrophobic substrate. Our experiments reveal that abrupt morphological transitions of the gel material set in at a threshold temperature, resulting in spontaneous capillary thinning and filament breakup. We show that this phenomenon may be precisely modulated by an alteration in the hydration state of the gel material that may be preferentially dictated by its intrinsic glycerol content. Our results demonstrate that the consequent morphological transitions give rise to topologically-selective microbeads as an exclusive signature of the interfacial interactions of the gel material with the deformable hydrophobic interface underneath. Thus, intricate control may be imposed on the spatio-temporal evolution of the deforming gel, facilitating the inception of highly ordered structures of specific shapes and dimensionalities on demand. This is likely to advance the strategies of long shelf-life analytical biomaterial encapsulations via realizing one-step physical immobilization of bio-analytes on the bead surfaces as a new route to controlled materials processing, without demanding any resourced microfabrication facility or delicate consumable materials.

Characterizing the biaxial compressive deformation behavior of epoxy polymer through cruciform experiment and finite element analysis

The multiaxial deformation behaviors of amorphous epoxy polymers were characterized using planar biaxial compression tests and finite element (FE) analyses of cruciform specimens. The multiaxial limit of elastic deformation was investigated considering buckling instability of the planar biaxial compression tests. An offset-based yield criterion was proposed to determine the initial yield surface considering the nonlinear elastic deformation characteristics observed in the deformation tests. An FE analysis confirmed using the results of the tests revealed that the proposed method captured the initial multiaxial yielding in the central gauge of the specimen, demonstrating that existing pressure-dependent classical yield functions, such as the paraboloidal and conical yield functions, cannot appropriately describe the initial yield surface of the epoxy polymer. The yield function previously customized from molecular dynamics (MD) data exhibited a relatively good agreement with the initial yield surface. The determined shape of the initial yield surface and its agreement with the MD data–driven yield function were not consistently maintained during subsequent yielding. The results indicate that a new customized yield function properly describing the broader initial yield surface than those of the classical yield functions and its shape transition to plastic behavior is necessary to accurately reflect the entire multiaxial deformation behavior.

Evolution of giant pandoravirus revealed by CRISPR/Cas9

Giant viruses (GVs) are a hotspot of unresolved controversies since their discovery, including the definition of “Virus” and their origin. While increasing knowledge of genome diversity has accumulated, GV functional genomics was largely neglected. Here, we describe an experimental framework to genetically modify nuclear GVs and their host Acanthamoeba castellanii using CRISPR/Cas9, shedding light on the evolution from small icosahedral viruses to amphora-shaped GVs. Ablation of the icosahedral major capsid protein in the phylogenetically-related mollivirus highlights a transition in virion shape and size. We additionally demonstrate the existence of a reduced core essential genome in pandoravirus, reminiscent of their proposed smaller ancestors. This proposed genetic expansion led to increased genome robustness, indicating selective pressures for adaptation to uncertain environments. Overall, we introduce new tools for manipulation of the unexplored genome of nuclear GVs and provide experimental evidence suggesting that viral gigantism has aroused as an emerging trait.

Lateral and Vertical Morphology Engineering of Low‐Symmetry, Weakly‐Coupled 2D ReS2

AbstractMorphology significantly affects material's electronic, catalytic, and magnetic properties, especially for 2D crystals. Abundant achievements have been made in the morphology engineering of high‐symmetry 2D materials, but for the emerging low‐symmetry ones, such as ReS2, both the morphology control technique and comprehension are lacking. Here, the lateral shape and vertical thickness engineering of 2D ReS2 by tailoring the growth temperature and the substrate symmetry using chemical vapor deposition, is reported. The temperature increase induces an isotropic‐to‐anisotropic transition of domain shapes, as well as a monotonic decrease of the domain thickness, which promotes the electrocatalytic performance. The substrate rotational symmetry determines the shape anisotropy of polycrystalline ReS2 monolayers via a diffusion‐limited mechanism, leading to highly oriented square, triangular, and strip‐like domains synthesized on the fourfold symmetry SrTiO3 (001), threefold symmetry c‐sapphire, and twofold symmetry a‐sapphire substrates, respectively. Various stacking configurations in bilayers are unclosed at the atomic scale. Some are predicted to adopt a type‐II band alignment with great potential in photovoltaics. The results give insights into the morphological engineering of a unique class of 2D material with low in‐plane lattice symmetry and weak interlayer coupling, which are crucial for their high‐quality synthesis and industrial applications.

Three-Dimensional Vibrational Characteristics of Functionally Graded Rotating Microbeams Based on the Higher-Order Refined Shear Deformation Theory

This study establishes a novel three-dimensional dynamic model for functionally graded rotating microbeams simultaneously considering flapwise and chordwise shear effects based on a refined shear deformation theory and the modified couple stress theory. Five kinematic variables are introduced to describe the rotating microbeam’s axial, flapwise, and chordwise motions using a higher-order refined shear deformation theory. The related strain energy and kinetic energy functionals are discretized by the assumed mode method. Applying the Euler–Lagrange variational formulation, the governing equations for the rotating microbeam are obtained. Selective examples are provided to demonstrate the convergence and effectiveness of the proposed model. Finally, the impacts of slenderness ratio, rotation speed, material index, material length scale parameter (MLSP), and Poisson’s effect on the vibrational characteristics of the microbeam are examined. Numerical results indicate that the mode shape transition and frequency loci veering phenomena could easily occur under slight changes in the above factors when dense modes appear in the rotating microbeam; moreover, there is a positive/negative competitive relationship among the effects of rotation speed, MLSP, and shear deformation; Poisson’s effect seriously affects the coupling between axial and non-axial motions of the rotating microbeam. The results obtained are expected to provide data accumulation and methodological basis for the failure analysis and vibration shape determination of micro air vehicles.

Shape control of deformable charge-patterned nanoparticles.

Deformable nanoparticles (NPs) offer unprecedented opportunities as dynamic building blocks that can spontaneously reconfigure during assembly in response to environmental cues. Designing reconfigurable materials based on deformable NPs hinges on an understanding of the shapes that can be engineered in these NPs. We solve for the low-energy shapes of charge-patterned deformable NPs by using molecular dynamics-based simulated annealing to minimize a coarse-grained model Hamiltonian characterized with NP elastic and electrostatic energies subject to a volume constraint. We show that deformable spherical NPs of radius 50nm whose surface is tailored with octahedrally distributed charged patches and double-cap charged patches adapt their shape differently in response to changes in surface charge coverage and ionic strength. We find shape transitions to rounded octahedra, faceted octahedra, faceted bowls, oblate spheroids, spherocylinders, dented beans, and dimpled rounded bowls. We demonstrate that similar shape transitions can be achieved in deformable NPs of different sizes. The effects of counterion condensation on the free-energetic drive associated with the observed deformations are examined via Manning model calculations that utilize simulation-derived estimates for the NP Coulomb energy under salt-free conditions. The charge-pattern-based shape control of deformable NPs has implications for the design of responsive nanocontainers and for assembling reconfigurable materials whose functionality hinges on the shape-shifting properties of their nanoscale building blocks.

Predicting surfactant phase behavior with a molecularly informed field theory

HypothesisThe computational study of surfactants and self-assembly is challenging because 1) models need to reflect chemistry-specific interactions, and 2) self-assembled structures are difficult to equilibrate with conventional molecular dynamics. We propose to overcome these challenges with a multiscale simulation approach where relative entropy minimization transfers chemically-detailed information from all-atom (AA) simulations to coarse-grained (CG) models that can be simulated using field-theoretic methods. Field-theoretic simulations are not limited by intrinsic physical time scales like diffusion and allow for rigorous equilibration via free energy minimization. This approach should enable the study of properties that are difficult to obtain by particle-based simulations. Simulation WorkWe apply this workflow to sodium dodecylsulfate. To ensure chemical fidelity we present an AA force field calibrated against interfacial tension experiments. We generate CG models from AA simulation trajectories and show that particle-based and field-theoretic simulations of the CG model reproduce AA simulations and experimental measurements. FindingsThe workflow captures the complex balance of interactions in a multicomponent system ultimately described by an atomistic model. The resulting CG models can study complex 3D phases like double or alternating gyroids, and reproduce salt effects on properties like aggregation number and shape transitions.

Direct-connect supersonic nozzle design considering the effect of combustion

The effect of the chemical reaction that occurs in the flow of the supersonic nozzle is investigated to design a circular to rectangular shape transition nozzle for a rocket-type vitiated air heater. A simple method of assigning the specific heat ratio for the supersonic nozzle design is suggested. By using the specific heat ratio calculated by the one-dimensional chemical equilibrium analysis, it is confirmed applicable up to Mach 6.0 nozzle with the upstream total temperature which does not cause chemical dissociation. It is found that the effect of the species dissociation and recombination is very slight therefore it becomes negligible at a total temperature less than at which the chemical dissociation takes place. Also, regardless of the scale of the supersonic nozzle, the change in the nozzle performance due to the energy conversion is negligible. Therefore, it becomes applicable to most of the range for the direct-connect type supersonic nozzles. The designed supersonic nozzle with the approximated specific heat ratio for the direct-connect supersonic combustion experiment was confirmed to have an error of less than 1 percent. Based on this design method, the flow characteristic induced by the shape transition is reviewed in a three-dimensional simulation.

Statics and diffusive dynamics of surfaces driven by p-atic topological defects.

Inspired by epithelial morphogenesis, we consider a minimal model for the shaping of a surface driven by p-atic topological defects. We show that a positive (negative) defect can dynamically generate a (hyperbolic) cone whose shape evolves diffusively, and predict that a defect of charge + 1/p leads to a final semi-cone angle β which satisfies the inequality . By exploiting the fact that for axisymmetric surfaces, the extrinsic geometry is tightly coupled to the intrinsic geometry, we further show that the resulting stationary shape of a membrane with negligible bending modulus and embedded polar order is a deformed lemon with two defects at antipodal points. Finally, we close by pointing out that our results may be relevant beyond epithelial morphogenesis in such contexts as shape transitions in macroscopic closed spheroidal surfaces such as pollen grains.

Shape transitions in a network model of active elastic shells.

Morphogenesis involves the transformation of initially simple shapes, such as multicellular spheroids, into more complex 3D shapes. These shape changes are governed by mechanical forces including molecular motor-generated forces as well as hydrostatic fluid pressure, both of which are actively regulated in living matter through mechano-chemical feedback. Inspired by autonomous, biophysical shape change, such as occurring in the model organism hydra, we introduce a minimal, active, elastic model featuring a network of springs in a globe-like spherical shell geometry. In this model there is coupling between activity and the shape of the shell: if the local curvature of a filament represented by a spring falls below a critical value, its elastic constant is actively changed. This results in deformation of the springs that changes the shape of the shell. By combining excitation of springs and pressure regulation, we show that the shell undergoes a transition from spheroidal to either elongated ellipsoidal or a different spheroidal shape, depending on pressure. There exists a critical pressure at which there is an abrupt change from ellipsoids to spheroids, showing that pressure is potentially a sensitive switch for material shape. We thus offer biologically inspired design principles for autonomous shape transitions in active elastic shells.

Template-free synthesis of mesoporous and amorphous transition metal phosphate materials.

We present how mesoporosity can be engineered in transition metal phosphate (TMPs) materials in a template-free manner. The method involves the transformation of a precursor metal phosphate phase, called M-struvite (NH4MPO4·6H2O, M = Mg2+, Ni2+, Co2+, NixCo1-x2+). It relies on the thermal decomposition of crystalline M-struvite precursors to an amorphous and simultaneously mesoporous phase, which forms during degassing of NH3 and H2O. The temporal evolution of mesoporous frameworks and the response of the metal coordination environment were followed by in situ and ex situ scattering and diffraction, as well as X-ray spectroscopy. Despite sharing the same precursor struvite structure, different amorphous and mesoporous structures were obtained depending on the involved transition metal. We highlight the systematic differences in absolute surface area, pore shape, pore size, and phase transitions depending on the metal cation present in the analogous M-struvites. The amorphous structures of thermally decomposed Mg-, Ni- and NixCo1-x-struvites exhibit high surface areas and pore volumes (240 m2 g-1 and 0.32 cm-3 g-1 for Mg and 90 m2 g-1 and 0.13 cm-3 g-1 for Ni). We propose that the low-cost, environmentally friendly M-struvites could be obtained as recycling products from industrial and agricultural wastewaters. These waste products could be then upcycled into mesoporous TMPs through a simple thermal treatment for further application, for instance in (electro)catalysis.

Janus magnetoelastic membrane swimmers.

Soft swimming microrobots have attracted considerable attention due to their potential applications in diverse fields ranging from biomedicines to environmental remediation. The locomotion control is of importance to the research of micromachines and microrobots. Inspired by the motility strategies of living microorganisms, such as flagella, cilia, and euglenoids, we focus on propulsion mechanisms with a design of Janus magnetoelastic crystalline membrane microswimmers actuated by time-varying magnetic fields. Such a Janus swimmer consists of a ferromagnetic cap completed by a magnetoelastic membrane body, where superparamagnetic particles are uniformly distributed on the surface. Under the influence of external magnetic fields, the swimmer undergoes complex shape transitions due to the interplay between the magnetic dipole-dipole interactions, the elasticity of the magnetoelastic membranes, and also the hydrodynamics of surrounding fluids. We show that those shape changes are nonreciprocal, which can generate locomotion such that the propulsion speed can be optimized by tailoring the membrane elastic properties. Besides, we also demonstrate that the Janus swimmer can be magnetically guided in a spiral trajectory. With such adequate control of locomotion in both speed and direction via non-invasive magnetic fields, this study provides another promising candidate design for the future development of microswimmers.

Modulating shape transition in surfactant stabilized reverse microemulsions.

The formation of reverse microemulsions (RMs) of spherical shape in the oil/water/surfactant ternary mixture at high molar ratio of water to surfactant (ω) is well established. Using dynamic light scattering, small-angle X-ray and neutron scattering, we elucidate the formation of non-spherical reverse microemulsions stabilised by sodium bis(2-ethylhexyl) sulfosuccinate (AOT) at ω = 10 and volume fractions of the dispersed phase, Φ, ranging from 0.005 to 0.20. In addition, we propose a strategy to tune the aspect ratio of non-spherical droplets and colloidal interactions by (i) varying the volume fraction of the dispersed phase (ii) changing the temperature, and (iii) by substituting the aliphatic oil with a mixture of aliphatic and aromatic hydrocarbons. This tunability of anisotropy along with a precise control of the interactions in the RMs, their ability to form spontaneously and their thermodynamic stability is crucial to provide a handle on reaction kinetics, synthesis of anisotropic nanoparticles as well as for their application as lubricants and viscosity modifiers.