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  1. Abstract

    Mycelium is crucial in decomposing biomass and cycling nutrients in nature. While various environmental factors can influence mycelium growth, the role of substrate mechanics is not yet clear. In this study, we investigate the effect of substrate stiffness on mycelium growth. We prepared agar substrates of different concentrations to grow the mycelium, but kept other environmental and chemical conditions consistent. We made a time-lapse recording of the growing history with minimum interruption. We repeated our tests for different species. Our results generally support that mycelium grows faster on a stiffer substrate,Ganoderma lucidumgives the highest growth rate andPleurotus eryngiiis most sensitive to substrate stiffness. We combined experimental characterization and computational simulation to investigate the mechanism and discovered that mycelium concentrates on the surface of a rigid substrate, but penetrates the soft one. Our Monte Carlo simulations illustrate that such a penetration allows mycelium to grow in the three-dimensional space, but effectively slows down the surface occupation speed. Our study provides insights into fungal growth and reveals that the mycelium growth rate can be tuned through substrate stiffness, thus reducing the time for producing mycelium-based composites.

    Impact statement

    We used agar substrates and tuned its stiffness to culture mycelium and compared tune its stiffness to culture mycelium and compare its growth in a well-controlled condition. Our results revealed that mycelium grows faster on stiffer substrates, thus fully occupying the petri dish surface more quickly. We repeated our study several times by testing four species,P. eryngii,G. lucidum,Trametes versicolor,and Flammulina velutipes,and the stiffest substrate always gives the highest mean growing rate than others. TheG. lucidumshows the highest spreading rate that is obtained on the stiffest substrate as 39.1 ± 2.0 mm2/h. We found that the mycelium on a soft substrate will grow into the substrate instead of spreading on the stiffer surface. Our Monte Carlo simulations further show that once the fibers grow into a three-dimensional substrate, its growth is slower than growing on a two-dimensional surface, providing a microscopic mechanism of the substrate stiffness effect. This study’s analysis of how substrate stiffness impacts mycelium growth is new, bridging a critical knowledge gap in understanding the relationship between substrate mechanics and fungal ecology. The knowledge from this study has a potential in accelerating sustainable manufacturing of mycelium-based composite by adjusting substrate mechanics.

    Graphical Abstract 
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  2. 2D materials such as graphene, monolayer MoS2 and MXene are highly functional for their unique mechanical, thermal and electrical features and are considered building blocks for future ultrathin, flexible electronics. However, they can easily fracture from flaws or defects and thus it is important to increase their toughness in applications. Here, inspired by natural layered composites and architected 3D printed materials of high toughness, we introduce architected defects to the 2D materials and study their fracture in molecular dynamics simulations. We find that the length of the defects in the shape of parallel bridges is crucial to fracture toughness, as long bridges can significantly increase the toughness of graphene and MoS2 but decrease the toughness of MXene, while short bridges show opposite effects. This strategy can increase the toughness of 2D materials without introducing foreign materials or altering the chemistry of the materials, providing a general method to improve their mechanics. 
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    Free, publicly-accessible full text available April 1, 2025
  3. The distribution of material phases is crucial to determine the composite's mechanical property. While the full structure-mechanics relationship of highly ordered material distributions can be studied with finite number of cases, this relationship is difficult to be revealed for complex irregular distributions, preventing design of such material structures to meet certain mechanical requirements. The noticeable developments of artificial intelligence (AI) algorithms in material design enables to detect the hidden structure-mechanics correlations which is essential for designing composite of complex structures. It is intriguing how these tools can assist composite design. Here, we focus on the rapid generation of bicontinuous composite structures together with the stress distribution in loading. We find that generative AI, enabled through fine-tuned Low Rank Adaptation models, can be trained with a few inputs to generate both synthetic composite structures and the corresponding von Mises stress distribution. The results show that this technique is convenient in generating massive composites designs with useful mechanical information that dictate stiffness, fracture and robustness of the material with one model, and such has to be done by several different experimental or simulation tests. This research offers valuable insights for the improvement of composite design with the goal of expanding the design space and automatic screening of composite designs for improved mechanical functions. 
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  4. Collagen, a vital protein that provides strength to various body tissues, has a triple helix structure containing three polypeptide chains. The chains are composed mostly of a tripeptide of glycine (G), proline (P), and hydroxyproline (O). Using molecular dynamics simulations and theoretical analysis, the study examines the mechanical response of collagen triple helix structures, made up of three different tripeptide units, when subjected to different fracture loading modes. The results show that collagen with GPO tripeptide units at their C-terminal are mechanically stronger than the POG and OGP units with a single amino-acid frame shift. Our work shows that the N-terminal has less effect on collagen fracture than the C-terminal. The differences in mechanical response are explained by the heterogenous rigidity of the amino acid backbone and the resulting shear lag effect near the terminal. The findings have potential applications in developing tough synthetic collagen for building materials and may stimulate further studies on the connection between terminal repeats and the mechanical-thermal behavior of other structural proteins such as silk, elastin, fibrin, and keratin. 
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  5. Abstract

    Organic molecule‐doped n‐type single‐walled carbon nanotube (SWCNT) networks are promising candidates for advanced energy applications, such as flexible thermoelectrics and photovoltaics. Yet charge transport in n‐type SWCNTs is limited by two factors: i) charge localization impeding inter‐tube transport caused by disordered mesostructure of randomly oriented SWCNTs and ii) reduction of charge carrier concentration driven by oxidation. Herein, studied the relationship between the mesostructure and thermoelectric properties of n‐type SWCNTs obtained by surfactant‐functionalization and polymer‐dopant grafting. Surprisingly, the electrical conductivity of the polymer‐doped SWCNTs keeps increasing with increasing polymer content, even after the saturation of carrier concentration, resulting in 12x higher conductivity on polymer‐doping compared to surfactant‐functionalization. While hopping transport typically dominates in disordered systems, it is shown that a bridging effect from the polymer causes unusual band‐like conduction in polymer‐doped SWCNTs. Additionally, since surfactants are essential to prevent oxidation and retain n‐type over a long duration, shows that SWCNTs obtained through a dual‐functionalization strategy using both polymer‐dopant and surfactant, demonstrates a long‐term stable high n‐type thermoelectric power factor, when the surfactant amount is carefully controlled. Besides thermoelectrics, the findings are of general interest to developing stable and conductive n‐type SWCNTs for various energy and electronic applications.

     
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  6. Abstract

    Cis-peptide bonds are rare in proteins, and building blocks less favorable to the trans-conformer have been considered destabilizing. Although proline tolerates the cis-conformer modestly among all amino acids, for collagen, the most prevalent proline-abundant protein, all peptide bonds must be trans to form its hallmark triple-helix structure. Here, using host-guest collagen mimetic peptides (CMPs), we discover that surprisingly, even the cis-enforcing peptoid residues (N-substituted glycines) form stable triple-helices. Our interrogations establish that these peptoid residues entropically stabilize the triple-helix by pre-organizing individual peptides into a polyproline-II helix. Moreover, noting that the cis-demanding peptoid residues drastically reduce the folding rate, we design a CMP whose triple-helix formation can be controlled by peptoid cis-trans isomerization, enabling direct targeting of fibrotic remodeling in myocardial infarction in vivo. These findings elucidate the principles of peptoid cis-trans isomerization in protein folding and showcase the exploitation of cis-amide-favoring residues in building programmable and functional peptidomimetics.

     
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  7. Mycelium-based materials have seen a surge in popularity in the manufacturing industry in recent years. This study aims to build a lab-scale experimental facility to investigate mycelium growth under a well-controlled temperature and humidity environment and explore how substrates of very different chemical and mechanical properties can affect the microscopic morphology of the mycelium fibers during growth. Here, we design and build a customized green tent with good thermal and humidity insulation for controlling the temperature and humidity and monitor the environmental data with an Arduino chip. We develop our procedure to grow mycelium from spores to fibrous networks. It is shown that a hydrogel substrate with soluble nutrition is more favorite for mycelium growth than a hardwood board and leads to higher growing speed. We take many microscopic images of the mycelium fibers on the hardwood board and the hydrogel substrate and found no significant difference in diameter (∼3 μm). This research provides a foundation to explore the mechanism of mycelium growth and explore the environmentally friendly and time-efficient method of its growth. 
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  8. Abstract

    Polyvinyl alcohol (PVA) is a water-soluble synthetic polymer that can be used to make hydrogels for biomedical applications as well as biodegradable bags and films; however, compared to other plastics currently used for containers, it lacks mechanical strength, thermal stability, and can easily absorb water from humid environments. Although mechanical improvement has been observed by blending PVA with collagen in a hybrid hydrogel, there is a lack of fundamental understanding of the molecular mechanism, and it is not clear whether the improvement is limited to a hydrated state. Here, using classical molecular dynamics simulations based on fully atomistic models, we develop the equilibrated molecular structure of PVA with collagen and characterize its mechanics. We show that by interacting with a collagen molecule, PVA is equilibrated to a more ordered structure with each residue interacting with the near neighbors by forming more hydrogen bonds locally, making the structure stiffer than pure PVA. The structure shows higher thermal stability before melting, as well as higher rigidity in water. Our results provide the mechanism of the mechanical advantages of hybrid PVA-collagen polymer. The study demonstrates that the structure and mechanics of a synthetic polymer can be tuned by a tiny amount of a natural polymer at the molecular interface. Moreover, it may shed light on identifying a way to improve the mechanics of biodegradable polymer materials without adding much cost, which is crucial for environmental safety.

    Impact statement

    Blending natural and synthetic polymers (e.g., polyvinyl alcohol [PVA] and collagen in a hybrid hydrogel) has shown advantages in polymer mechanics, but there is a lack of fundamental understanding. Using molecular dynamics (MD) simulations based on fully atomistic models, we develop the equilibrated structure of the PVA with collagen and characterize its mechanics. We show that by interacting with a collagen molecule, PVA is equilibrated to a more ordered structure with each residue interacting with the near neighbors by forming more H-bonds locally and the structure is stiffer than pure PVA. Moreover, the structure shows a higher thermal stability before the melting point of PVA, as well as higher rigidity in water. Our results demonstrate that the structure and mechanics of a synthetic polymer can be tuned by a tiny amount of a natural polymer at the molecular interface. It provides the mechanism of the mechanical advantages as experimentally observed. This study paves the way for the multiscale modeling and mechanical design of the hybrid polymer material. It sheds light on identifying a way to improve the mechanics of biodegradable materials without adding much cost for both material functionality and environmental safety.

    Graphical abstract 
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