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Jingjie Yeo's blog

Dynamic pigmentary and structural coloration within cephalopod chromatophore organs

Submitted by Jingjie Yeo on

https://doi.org/10.1038/s41467-019-08891-x We report the discovery of structural coloration emanating in precise register with expanded pigmented chromatocytes. Concurrently, using an annotated squid chromatophore proteome together with microscopy, we identify a likely biochemical component of this reflective coloration as reflectin proteins distributed in sheath cells that envelop each chromatocyte.

Multiscale Design of Graphyne‐Based Materials for High‐Performance Separation Membranes

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https://doi.org/10.1002/adma.201805665 Computational modeling and simulations play an integral role in the bottom‐up design and characterization of graph‐n‐yne materials. Here, the state of the art in modeling α‐, β‐, γ‐, δ‐, and 6,6,12‐graphyne nanosheets for synthesizing graph‐2‐yne materials and 3D architectures thereof is discussed. Different synthesis methods are described and a broad overview of computational characterizations of graph‐n‐yne's electrical, chemical, and thermal properties is provided.

Paraffin-enabled graphene transfer

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https://doi.org/10.1038/s41467-019-08813-x We report a transfer approach using paraffin as a support layer, whose thermal properties, low chemical reactivity and non-covalent affinity to graphene enable transfer of wrinkle-reduced and clean large-area graphene.

Multiscale Modeling of Silk and Silk‐Based Biomaterials—A Review

Submitted by Jingjie Yeo on

https://doi.org/10.1002/mabi.201800253 In celebration of Stern Family Professor of Engineering David L. Kaplan, on the occasion of his 65th birthday, we review a selection of relevant contributions of computational modeling to understand the properties of natural silk, and to the design of silk-based materials, especially combined with experimental methods.

Silica Aerogels: A Review of Molecular Dynamics Modelling and Characterization of the Structural, Thermal, and Mechanical Properties

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https://doi.org/10.1007/978-3-319-50257-1_83-1 The second volume of the Handbook of Materials Modeling is now online: We reviewed the development of new empirical molecular dynamics forcefields, novel methods of generating aerogels’ percolated backbones, and compelling algorithms for characterizing their structural, mechanical, and thermal properties that have resulted in unprecedented insights into silica aerogels.

Effects of CNT size on the desalination performance of an outer-wall CNT slit membrane

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https://doi.org/10.1039/C8CP01191E We investigate the effect of varying carbon nanotube (CNT) size on the desalination performance through slit confinements formed by horizontally aligned CNTs stacked on top of one another. By increasing the CNT size, the results obtained from this study indicate a corresponding increase in the water flow rate, accompanied by a slight reduction in salt rejection performance.

Unraveling the molecular mechanisms of thermo-responsive properties of silk-elastin-like proteins by integrating multiscale modeling and experiment

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http://dx.doi.org/10.1039/C8TB00819A

Fresh in 2018 Journal of Materials Chemistry B HOT Papers! We present integrative experimental and computational understanding of the thermal response in adaptive hydrogels tailor-made from silk-elastin-like proteins that are tunable and responsive to multiple simultaneous external stimuli.

Materials-by-design: computation, synthesis, and characterization from atoms to structures

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https://doi.org/10.1088/1402-4896/aab4e2 In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is "plenty of room at the bottom" for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization.

Effects of oscillating pressure on desalination performance of transverse flow CNT membrane

Submitted by Jingjie Yeo on

https://doi.org/10.1016/j.desal.2018.03.029 In parallel with recent developments in carbon nanomaterials, there is growing interest in using these nanomaterials for desalination. To date, many studies have affirmed the potential of using such nanomaterials for constant pressure desalination operation. In this work, the performance of such membrane when subjected to oscillatory pressure at sub-nanosecond is investigated in detail.

Multiscale modeling of keratin, collagen, elastin and related human diseases: Perspectives from atomistic to coarse-grained molecular dynamics simulations

Submitted by Jingjie Yeo on

https://doi.org/10.1016/j.eml.2018.01.009 Scleroproteins are an important category of proteins within the human body that adopt filamentous, elongated conformations in contrast with typical globular proteins. These include keratin, collagen, and elastin, which often serve a common mechanical function in structural support of cells and tissues. Genetic mutations alter these proteins, disrupting their functions and causing diseases.