Collagen is one of the most important structural proteins in biology, and its hierarchy plays a crucial role many mechanically biomaterials. Here, we demonstrate how transformer models can be used to predict, directly from primary amino acid sequence, thermal stability collagen triple helices, measured via melting temperature Tm. We report two distinct architectures compare performance. First, train small model scratch, using our data set featuring only 633 sequence-to-Tm pairings. Second,...

Collagen is the most abundant structural protein in humans, providing crucial mechanical properties, including high strength and toughness, tissues. Collagen-based biomaterials are, therefore, used for tissue repair regeneration. Utilizing collagen effectively during materials processing ex vivo subsequent function requires stability over wide temperature ranges to avoid denaturation loss of structure, measured as melting (T m ). Although significant research has been conducted on...

Reversible crosslinkers can enable several desirable mechanical properties, such as improved toughness and self-healing, when incorporated in polymer networks for bioengineering structural applications. In this work, we performed coarse-grained molecular dynamics to investigate the effect of energy landscape reversible on dynamic properties crosslinked network hydrogels. We report that, an ideal network, potential crosslinker interaction drives viscosity where a stronger results higher...

Incorporating dynamic metal-coordination bonds as cross-links into synthetic materials has become attractive not only to improve self-healing and toughness, but also due the tunability of bonds. However, a priori determination bond lifetime complexes, especially important in rational design metal-coordinated with prescribed properties, is missing. We report an empirical relationship between energy landscape bonds, simulated via metadynamics, resulting macroscopic relaxation time ideal...

Stress distribution has led to the design of both tough and lightweight materials. Truss structures distribute stress well are commonly used materials for applications experiencing low strains. In 3D lattices, however, few allow high elastic compression tunable deformation. This is particularly true auxetic material designs, such as prototypical re-entrant honeycomb with sharp corners, which susceptible concentrations. There a pressing need lattice designs that dynamic, resistant fatigue....

Poly(styrene-butadiene-styrene), or SBS, is commonly added to asphalt mixtures improve their thermal stability and mechanical performance under working conditions in pavements roads. However, the resulting SBS-modified blend suffers from separation between SBS polymer molecular components, thereby decreasing expected of material long term. Here, we present how adding methylene diphenyl diisocyanate (MDI)-based additives may phase as measured by AFM testing. We then discuss fundamental...

Metal-coordination bonds, a highly tunable class of dynamic noncovalent interactions, are pivotal to the function variety protein-based natural materials and have emerged as binding motifs produce strong, tough, self-healing bioinspired materials. While proteins use clusters metal-coordination synthetic frequently employ individual resulting in mechanically weak To overcome this current limitation, we rationally designed series elastin-like polypeptide templates with capability forming an...

Metal-coordination bonds can rupture cooperatively when loaded in shear. However, the force reaches a maximum, due to critical number of that cooperatively.

Despite the integral role of plastics in modern society, effective management plastic waste has remained unaddressed, even as rate accumulation continues to accelerate. The vast majority a slow degradation rate, leading harmful environmental consequences, particularly for marine ecosystems, and may potentially have human health impacts. As result, policymakers begun taking action recent years, with focus on banning single-use plastics. While bans seemingly become preferred policy response,...

Metal-coordination bond localization in proteins with high amounts of metal-coordination affects structural folding and tensile strength.

Model verification is a critical aspect of scientific accountability, transparency, and learning. Here, we demonstrate an application model approach for molecular dynamics (MD) simulation, where the interactions between silica silk protein were studied experimentally toward understanding biomineralization. Following ten rules credible modeling simulation biosciences as developed in Erdemir et al., authors original paper collaborated with external group to verify key findings their document...

Histidine-M2+ coordination bonds are a recognized bond motif in biogenic materials with high hardness and extensibility, which has led to growing interest their use soft for mechanical function. However, the effect of different metal ions on stability complex remains poorly understood, complicating implementation metal-coordinated polymer materials. Herein, rheology experiments density functional theory calculations used characterize complexes establish binding hierarchy histamine imidazole...

Reversible crosslinkers can enable several desirable mechanical properties, such as improved toughness and self-healing, when incorporated in polymer networks for bioengineering structural applications. In this work, we performed coarse-grained molecular dynamics to investigate the effect of energy landscape reversible on dynamic properties crosslinked network hydrogels. We report that, an ideal network, potential crosslinker interaction drives viscosity where a stronger results higher...

Abstract Background The Gordon and Betty Moore Foundation (GBMF) was interested in understanding the potential effects of a policy requiring open access to peer-reviewed publications resulting from research foundation funds. Methods We collected data on more than 2000 over 500 journals that were generated by GBMF grantees since 2001. then examined journal policies establish how two possible might have affected grantee publishing habits. Results found 99.3% articles published would complied...

The Gordon and Betty Moore Foundation (GBMF) was interested in understanding the potential effects of requiring that grantees publish their peer-reviewed research open access journals.We collected data on more than 2,000 publications over 500 journals were generated by GBMF since 2001. We then examined journal policies to establish how two possible might have affected grantee publishing habits.We found 99.3% articles published would complied with a policy requires within 12 months...