Collective Hall current in chiral active fluids: Coupling of phase and mass transport through traveling bands.

Active fluids composed of constituents that are constantly driven away from thermal equilibrium can support spontaneous currents and can be engineered to have unconventional transport properties. Here, we report the emergence of (meta)stable traveling bands in computer simulations of aligning circle swimmers. These bands are different from polar flocks and, through coupling phase with mass transport, induce a bulk particle current with a component perpendicular to the propagation direction, thus giving rise to a collective Hall (or Magnus) effect. Traveling bands require sufficiently small orbits and undergo a discontinuous transition into a synchronized state with transient polar clusters for large orbital radii. Within a minimal hydrodynamic theory, we show that the bands can be understood as nondispersive soliton solutions fully accounting for the numerically observed properties.

Analysis of the peel structure of different Citrus spp. via light microscopy, SEM and µCT with manual and automatic segmentation.

The peels of lime, lemon, pomelo and citron are investigated at macroscopic and microscopic level. The structural composition of the peels is compared and properties such as peel thickness, proportion of flavedo, density and proportion of intercellular spaces are determined. µCT images are used to visualize vascular bundles and oil glands. SEM images provide information about the appearance of the cellular tissue in the outer flavedo and inner albedo. The proportion of intercellular spaces is quantitatively determined by manual and software-assisted analysis (ilastik). While there are macroscopic differences in the fruits, they differ only slightly in the orientation of the vascular bundles and the arrangement of the oil glands. However, in peel thickness and flavedo thickness, the fruit peels differ significantly from each other. There are no significant differences between the two analysis methods used, although the use of ilastik is preferred due to time reduction of up to 70%. The large amount of intercellular spaces in the albedo but also the denser flavedo both have a mechanical protective function to prevent damage to the fruit. In addition, the entire peel structure is mechanically reinforced by vascular bundles. This combination of penetration protection (flavedo) and energy dissipation (albedo) makes Citrus spp. peels a promising inspiration for technical material systems.

Inverse condensation of adsorbed molecules with two conformations.

Conventional gas-liquid phase transitions feature a coexistence line that has a monotonic and positive slope in line with our intuition that cooling always leads to condensation. Here, we study the inverse phenomenon, condensation of adsorbed organic molecules into dense domains upon heating. Our considerations are motivated by recent experiments [Aeschlimann et al., Angew. Chem., Int. Ed. 60, 19117-19122 (2021)], which demonstrate the partial dissolution of an ordered molecular monolayer and the mobilization of molecules upon cooling. We introduce a simple lattice model in which each site can have three states corresponding to unoccupied and two discernible molecular conformations. We investigate this model through Monte Carlo simulations, mean-field theory, and exact results based on the analytical solution of the Ising model in two dimensions. Our results should be broadly applicable to molecules with distinct conformations that have sufficiently different entropies or heat capacities.

Toward a structural identification of metastable molecular conformations.

Interpreting high-dimensional data from molecular dynamics simulations is a persistent challenge. In this paper, we show that for a small peptide, deca-alanine, metastable states can be identified through a neural net based on structural information alone. While processing molecular dynamics data, dimensionality reduction is a necessary step that projects high-dimensional data onto a low-dimensional representation that, ideally, captures the conformational changes in the underlying data. Conventional methods make use of the temporal information contained in trajectories generated through integrating the equations of motion, which forgoes more efficient sampling schemes. We demonstrate that EncoderMap, an autoencoder architecture with an additional distance metric, can find a suitable low-dimensional representation to identify long-lived molecular conformations using exclusively structural information. For deca-alanine, which exhibits several helix-forming pathways, we show that this approach allows us to combine simulations with different biasing forces and yields representations comparable in quality to other established methods. Our results contribute to computational strategies for the rapid automatic exploration of the configuration space of peptides and proteins.

Snapping mechanics of the Venus flytrap (Dionaea muscipula).

The mechanical principles for fast snapping in the iconic Venus flytrap are not yet fully understood. In this study, we obtained time-resolved strain distributions via three-dimensional digital image correlation (DIC) for the outer and inner trap-lobe surfaces throughout the closing motion. In combination with finite element models, the various possible contributions of the trap tissue layers were investigated with respect to the trap's movement behavior and the amount of strain required for snapping. Supported by in vivo experiments, we show that full trap turgescence is a mechanical-physiological prerequisite for successful (fast and geometrically correct) snapping, driven by differential tissue changes (swelling, shrinking, or no contribution). These are probably the result of the previous accumulation of internal hydrostatic pressure (prestress), which is released after trap triggering. Our research leads to an in-depth mechanical understanding of a complex plant movement incorporating various actuation principles.

Acclimation to wind loads and/or contact stimuli? A biomechanical study of peltate leaves of Pilea peperomioides.

Plants are exposed to various environmental stresses. Leaves immediately respond to mechano-stimulation, such as wind and touch, by bending and twisting or acclimate over a longer time period by thigmomorphogenetic changes of mechanical and geometrical properties. We selected the peltate leaves of Pilea peperomioides for a comparative analysis of mechano-induced effects on morphology, anatomy, and biomechanics of petiole and transition zone. The plants were cultivated for 6 weeks in a phytochamber divided into four treatment groups: control (no stimulus), touch stimulus (brushing every 30 s), wind stimulus (constant air flow of 4.6 m s-1), and a combination of touch and wind stimuli. Comparing the four treatment groups, neither the petiole nor the transition zone showed significant thigmomorphogenetic acclimations. However, comparing the petiole and the transition zone, the elastic modulus (E), the torsional modulus (G), the E/G ratio, and the axial rigidity (EA) differed significantly, whereas no significant difference was found for the torsional rigidity (GK). The twist-to-bend ratios (EI/GK) of all petioles ranged between 4.33 and 5.99, and of all transition zones between 0.67 and 0.78. Based on the twist-to-bend ratios, we hypothesize that bending loads are accommodated by the petiole, while torsional loads are shared between the transition zone and petiole.

Biomechanics of tendrils and adhesive pads of the climbing passion flower Passiflora discophora.

The climbing passion flower Passiflora discophora features branched tendrils with multiple adhesive pads at their tips allowing it to attach to large-diameter supports and to flat surfaces. We conducted tensile tests to quantify the performance of this attachment system. We found that the force at failure varies with substrate, ontogenetic state (turgescent or senescent), and tendril size (i.e. tendril cross-sectional area and pad area). The tendrils proved to be well balanced in size and to attach firmly to a variety of substrates (force at failure up to 2N). Pull-off tests performed with tendrils grown on either epoxy, plywood, or beech bark revealed that senescent tendrils could still bear 24, 64, or 100% of the force measured for turgescent tendrils, respectively, thus providing long-lasting attachment at minimal physiological costs. The tendril main axis was typically the weakest part of the adhesive system, whereas the pad-substrate interface never failed. This suggests that the plants use the slight oversizing of adhesive pads as a strategy to cope with 'unpredictable' substrates. The pads, together with the spring-like main axis, which can, as shown, dissipate a large amount of energy when straightened, thus constitute a fail-safe attachment system.

Biomechanics of the parasite-host interaction of the European mistletoe.

The European mistletoe (Viscum album) is an epiphytic hemiparasite that attaches to its host by an endophytic system. Two aspects are essential for its survival: the structural integrity of the host-parasite interface must be maintained during host growth and the functional integrity of the interface must be maintained during ontogeny and under mechanical stress. We investigated the mechanical properties of the mistletoe-host interaction. Intact and sliced mistletoe-host samples, with host wood as reference, were subjected to tensile tests up to failure. We quantified the rough fractured surface by digital microscopy and analysed local surface strains by digital image correlation. Tensile strength and deformation energy were independent of mistletoe age but exhibited markedly lower values than host wood samples. Cracks initiated at sites with a major strain of about 30%, especially along the mistletoe-host interface. The risk of sudden failure was counteracted by various sinkers and a lignification gradient that smooths the differences in the mechanical properties between the two species. Our results improve the understanding of the key mechanical characteristics of the host-mistletoe interface and show that the mechanical connection between the mistletoe and its host is age-independent. Thus, functional and structural integrity is ensured over the lifetime of the mistletoe.

Force Generation in Confined Active Fluids: The Role of Microstructure.

We experimentally determine the force exerted by a bath of active particles onto a passive probe as a function of its distance to a wall and compare it to the measured averaged density distribution of active particles around the probe. Within the framework of an active stress, we demonstrate that both quantities are-up to a factor-directly related to each other. Our results are in excellent agreement with a minimal numerical model and confirm a general and system-independent relationship between the microstructure of active particles and transmitted forces.

Chemonastic Stalked Glands in the Carnivorous Rainbow Plant Byblis gigantea LINDL. (Byblidaceae, Lamiales).

Carnivorous rainbow plants (Byblis, Byblidaceae, Lamiales) possess sticky flypaper traps for the capture, retention, and digestion of prey (mainly small insects). The trapping system is based on a multitude of millimeter-sized glandular trichomes (also termed stalked glands), which produce adhesive glue drops. For over a century, the trapping system of Byblis was considered passive, meaning that no plant movement is involved. Recently, a remarkable discovery was made: the stalked glands of Byblis are indeed capable of reacting to chemical (protein) stimuli with slow movement responses. This prompted us to investigate this phenomenon further with a series of experiments on the stimulation, kinematics, actuation, and functional morphology of the stalked glands of cultivated Byblis gigantea plants. Measured stalked gland lengths and densities on the trap leaves are similar to the data from the literature. Motion reactions could only be triggered with chemical stimuli, corroborating the prior study on the stalked gland sensitivity. Reaction time (i.e., time from stimulation until the onset of motion) and movement duration are temperature-dependent, which hints towards a tight physiological control of the involved processes. The stalked gland movement, which consist of a sequence of twisting and kinking motions, is rendered possible by the components of the stalk cell wall and is furthermore anatomically and mechanically predetermined by the orientation of cellulose microfibrils in the cell wall. Successive water displacement processes from the stalk cell into the basal cells actuate the movement. The same kinematics could be observed in stalked glands drying in air or submersed in a saturated salt solution. Stimulated and dried stalked glands as well as those from the hypertonic medium were capable of regaining their initial shape by rehydration in water. However, no glue production could be observed afterwards. The long-time overlooked chemonastic movements of stalked glands may help Byblis to retain and digest its prey; however, further research is needed to shed light on the ecological characteristics of the rainbow plant's trapping system.

Facing the Green Threat: A Water Flea's Defenses against a Carnivorous Plant.

Every ecosystem shows multiple levels of species interactions, which are often difficult to isolate and to classify regarding their specific nature. For most of the observed interactions, it comes down to either competition or consumption. The modes of consumption are various and defined by the nature of the consumed organism, e.g., carnivory, herbivory, as well as the extent of the consumption, e.g., grazing, parasitism. While the majority of consumers are animals, carnivorous plants can also pose a threat to arthropods. Water fleas of the family Daphniidae are keystone species in many lentic ecosystems. As most abundant filter feeders, they link the primary production to higher trophic levels. As a response to the high predatory pressures, water fleas have evolved various inducible defenses against animal predators. Here we show the first example, to our knowledge, in Ceriodaphnia dubia of such inducible defenses of an animal against a coexisting plant predator, i.e., the carnivorous bladderwort (Utricularia x neglecta Lehm, Lentibulariaceae). When the bladderwort is present, C. dubia shows changes in morphology, life history and behavior. While the morphological and behavioral adaptations improve C. dubia's survival rate in the presence of this predator, the life-history parameters likely reflect trade-offs for the defense.

Functional morphology of plants - a key to biomimetic applications.

Learning from living organisms has emerged from a mainly curiosity-driven examination, where helpful functions of biological structures have been copied, into systematic biomimetic approaches that transfer a targeted function and its underlying principles from the biological model to a technical product. Plant biomimetics is based on functional morphology, which combines the knowledge gained from the morphology, anatomy and mechanics of plants and makes a statement about their form-structure-function relationship. Since the functional morphology of plants has become key to biomimetic applications, we present its central role in deciphering the functional principles that can be applied to engineering solutions. We consider that the future of biomimetics will include bioinspired developments that will contribute to better sustainability than that achieved by conventional products.

Vorticity Determines the Force on Bodies Immersed in Active Fluids.

When immersed into a fluid of active Brownian particles, passive bodies might start to undergo linear or angular directed motion depending on their shape. Here we exploit the divergence theorem to relate the forces responsible for this motion to the density and current induced by-but far away from-the body. In general, the force is composed of two contributions: due to the strength of the dipolar field component and due to particles leaving the boundary, generating a nonvanishing vorticity of the polarization. We derive and numerically corroborate results for periodic systems, which are fundamentally different from unbounded systems with forces that scale with the area of the system. We demonstrate that vorticity is localized close to the body and to points at which the local curvature changes, enabling the rational design of particle shapes with desired propulsion properties.

Structural gradients and anisotropic hydraulic conductivity in the enigmatic eel traps of carnivorous corkscrew plants (Genlisea spp.).

PREMISE: Among the sophisticated trap types in carnivorous plants, the underground eel traps of corkskrew plants (Genlisea spp., Lentibulariaceae) are probably the least understood in terms of their functional principle. Here, we provide a detailed analysis of structural and hydraulic features of G. hispidula traps, contributing to the ongoing debate on whether these traps can actively generate water streams to promote prey capture. METHODS: Anatomical and hydraulic traits of detached traps, including inner trap diameters, chamber line element, hair length, glandular pattern, and hydraulic conductivity, were investigated quantitatively using light and electron microscopy, x-ray microtomography, and hydraulic measurements. RESULTS: Hydraulic resistivity in the neck of the trap, from the trap mouth toward the vesicle (digestive chamber) was 10 times lower than in the opposite direction. The comparison of measured and theoretical flow rates suggests that the retrorse hairs inside trap necks also provide considerable resistance against movement of matter toward the vesicle. Hairs showed a gradient in length along the neck, with the shortest hairs near the vesicle. Co-occurrence of quadrifid and bifid glands was limited to a small part of the neck, with quadrifids near the vesicle and bifids toward the trap mouth. CONCLUSIONS: The combination of structural gradients with hydraulic anisotropy suggests the trap is a highly fine-tuned system based on likely trade-offs between efficient prey movement in the trap interior toward the vesicle, prey retention, and spatial digestion capacities and is not counter to the generation of water streams.

Critical behavior in active lattice models of motility-induced phase separation.

Lattice models allow for a computationally efficient investigation of motility-induced phase separation (MIPS) compared to off-lattice systems. Simulations are less demanding, and thus, bigger systems can be accessed with higher accuracy and better statistics. In equilibrium, lattice and off-lattice models with comparable interactions belong to the same universality class. Whether concepts of universality also hold for active particles is still a controversial and open question. Here, we examine two recently proposed active lattice systems that undergo MIPS and investigate numerically their critical behavior. In particular, we examine the claim that these systems and MIPS in general belong to the Ising universality class. We also take a more detailed look on the influence and role of rotational diffusion and active velocity in these systems.

Modeling non-linear dielectric susceptibilities of supercooled molecular liquids.

Advances in high-precision dielectric spectroscopy have enabled access to non-linear susceptibilities of polar molecular liquids. The observed non-monotonic behavior has been claimed to provide strong support for theories of dynamic arrest based on the thermodynamic amorphous order. Here, we approach this question from the perspective of dynamic facilitation, an alternative view focusing on emergent kinetic constraints underlying the dynamic arrest of a liquid approaching its glass transition. We derive explicit expressions for the frequency-dependent higher-order dielectric susceptibilities exhibiting a non-monotonic shape, the height of which increases as temperature is lowered. We demonstrate excellent agreement with the experimental data for glycerol, challenging the idea that non-linear response functions reveal correlated relaxation in supercooled liquids.

Modeling of biomolecular machines in non-equilibrium steady states.

Numerical computations have become a pillar of all modern quantitative sciences. Any computation involves modeling-even if often this step is not made explicit-and any model has to neglect details while still being physically accurate. Equilibrium statistical mechanics guides both the development of models and numerical methods for dynamics obeying detailed balance. For systems driven away from thermal equilibrium, such a universal theoretical framework is missing. For a restricted class of driven systems governed by Markov dynamics and local detailed balance, stochastic thermodynamics has evolved to fill this gap and to provide fundamental constraints and guiding principles. The next step is to advance stochastic thermodynamics from simple model systems to complex systems with tens of thousands or even millions of degrees of freedom. Biomolecules operating in the presence of chemical gradients and mechanical forces are a prime example for this challenge. In this Perspective, we give an introduction to isothermal stochastic thermodynamics geared toward the systematic multiscale modeling of the conformational dynamics of biomolecular and synthetic machines, and we outline some of the open challenges.

Multiscale modeling of structure formation of C60 on insulating CaF2 substrates.

Morphologies of adsorbed molecular films are of interest in a wide range of applications. To study the epitaxial growth of these systems in computer simulations requires access to long time and length scales, and one typically resorts to kinetic Monte Carlo (KMC) simulations. However, KMC simulations require as input transition rates and their dependence on external parameters (such as temperature). Experimental data allow only limited and indirect access to these rates, and models are often oversimplified. Here, we follow a bottom-up approach and aim at systematically constructing all relevant rates for an example system that has shown interesting properties in experiments, buckminsterfullerene on a calcium fluoride substrate. We develop classical force fields (both atomistic and coarse-grained) and perform molecular dynamics simulations of the elementary transitions in order to derive explicit expressions for the transition rates with a minimal number of free parameters.

Mobilization upon Cooling.

Phase transitions between different aggregate states are omnipresent in nature and technology. Conventionally, a crystalline phase melts upon heating as we use ice to cool a drink. Already in 1903, Gustav Tammann speculated about the opposite process, namely melting upon cooling. So far, evidence for such "inverse" transitions in real materials is rare and limited to few systems or extreme conditions. Here, we demonstrate an inverse phase transition for molecules adsorbed on a surface. Molybdenum tetraacetate on copper(111) forms an ordered structure at room temperature, which dissolves upon cooling. This transition is mediated by molecules becoming mobile, i.e., by mobilization upon cooling. This unexpected phenomenon is ascribed to the larger number of internal degrees of freedom in the ordered phase compared to the mobile phase at low temperatures.

Functional-morphological analyses of the delicate snap-traps of the aquatic carnivorous waterwheel plant (Aldrovanda vesiculosa) with 2D and 3D imaging techniques.

BACKGROUND AND AIMS: The endangered aquatic carnivorous waterwheel plant (Aldrovanda vesiculosa) catches prey with 3-5-mm-long underwater snap-traps. Trapping lasts 10-20 ms, which is 10-fold faster than in its famous sister, the terrestrial Venus flytrap (Dionaea muscipula). After successful capture, the trap narrows further and forms a 'stomach' for the digestion of prey, the so-called 'sickle-shaped cavity'. To date, knowledge is very scarce regarding the deformation process during narrowing and consequent functional morphology of the trap. METHODS: We performed comparative analyses of virtual 3D histology using computed tomography (CT) and conventional 2D histology. For 3D histology we established a contrasting agent-based preparation protocol tailored for delicate underwater plant tissues. KEY RESULTS: Our analyses reveal new structural insights into the adaptive architecture of the complex A. vesiculosa snap-trap. In particular, we discuss in detail the arrangement of sensitive trigger hairs inside the trap and present actual 3D representations of traps with prey. In addition, we provide trap volume calculations at different narrowing stages. Furthermore, the motile zone close to the trap midrib, which is thought to promote not only the fast trap closure by hydraulics but also the subsequent trap narrowing and trap reopening, is described and discussed for the first time in its entirety. CONCLUSIONS: Our research contributes to the understanding of a complex, fast and reversible underwater plant movement and supplements preparation protocols for CT analyses of other non-lignified and sensitive plant structures.