An atomistic scale simulation study of structural properties in the silk–fibrohexamerin complex

Park, Wooboum; Yoon, Taeyoung; Chang, Hyunjoon; You, Juneseok; Na, Sungsoo

doi:10.1039/d3nr04787c

Cited by 2 publications

(4 citation statements)

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“…In addition, we applied an elastic network model and normal-mode analysis to investigate the general conformational shapes and vibrational behavior of GOx depending on the bulk solution and immobilization conditions. Analyzing the vibrational behavior of proteins has been a great approach for the study of the general morphological features of Gox [38][39][40][41]. Additionally, we considered that GOx is different from laccase, which has a binding site for "glucose".…”

Section: Morphology Analysis Of Enzyme Interface Using Elastic Networ...mentioning

confidence: 99%

Investigation of Direct Electron Transfer of Glucose Oxidase on a Graphene-CNT Composite Surface: A Molecular Dynamics Study Based on Electrochemical Experiments

Yoon,

Park,

You

et al. 2024

Nanomaterials

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Graphene and its variants exhibit excellent electrical properties for the construction of enzymatic interfaces. In particular, the direct electron transfer of glucose oxidase on the electrode surface is a very important issue in the development of enzyme-based bioelectrodes. However, the number of studies conducted to assess how pristine graphene forms different interfaces with other carbon materials is insufficient. Enzyme-based electrodes (formed using carbon materials) have been extensively applied because of their low manufacturing costs and easy production techniques. In this study, the characteristics of a single-walled carbon nanotube/graphene-combined enzyme interface are analyzed at the atomic level using molecular dynamics simulations. The morphology of the enzyme was visualized using an elastic network model by performing normal-mode analysis based on electrochemical and microscopic experiments. Single-carbon electrodes exhibited poorer electrical characteristics than those prepared as composites with enzymes. Furthermore, the composite interface exhibited 4.61- and 2.45-fold higher direct electron efficiencies than GOx synthesized with single-carbon nanotubes and graphene, respectively. Based on this study, we propose that pristine graphene has the potential to develop glucose oxidase interfaces and carbon-nanotube–graphene composites for easy fabrication, low cost, and efficient electrode structures for enzyme-based biofuel cells.

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Section: Morphology Analysis Of Enzyme Interface Using Elastic Networ...mentioning

confidence: 99%

Investigation of Direct Electron Transfer of Glucose Oxidase on a Graphene-CNT Composite Surface: A Molecular Dynamics Study Based on Electrochemical Experiments

Yoon,

Park,

You

et al. 2024

Nanomaterials

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“…This claim needs to be further verified. The L chain has an average molecular weight of 28 kDa [29]. Its Cys residue at position 190 is bound to the Cys residue at the inverse position 20 of the H chain in a disulfide bond [59].…”

Section: Primary Structurementioning

confidence: 99%

“…Zhou et al [62] combined the shotgun procedure, currently applied in genome sequencing, with a traditional physical map-directed sequencing strategy; based on the sequences of the SF genes and encoded proteins, they obtained the complete amino acid sequence of SF. The L chain has an average molecular weight of 28 kDa [29]. Its Cys residue at position 190 is bound to the Cys residue at the inverse position 20 of the H chain in a disulfide bond [59].…”

Section: Primary Structurementioning

confidence: 99%

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Regenerated Fiber’s Ideal Target: Comparable to Natural Fiber

Tan,

Jia,

et al. 2024

Materials

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The toughness of silk naturally obtained from spiders and silkworms exceeds that of all other natural and man-made fibers. These insects transform aqueous protein feedstocks into mechanically specialized materials, which represents an engineering phenomenon that has developed over millions of years of natural evolution. Silkworms have become a new research hotspot due to the difficulties in collecting spider silk and other challenges. According to continuous research on the natural spinning process of the silkworm, it is possible to divide the main aspects of bionic spinning into two main segments: the solvent and behavior. This work focuses on the various methods currently used for the spinning of artificial silk fibers to replicate natural silk fibers, providing new insights based on changes in the fiber properties and production processes over time.

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An atomistic scale simulation study of structural properties in the silk–fibrohexamerin complex

Abstract: This study analyzed the interfacial/mechanical properties of N-glycan engineered P25-Silkworm silk. The results confirmed that N-glycan in orders of the mannose molecules increased the hydrogen bonding of the amorphous domain.

Cited by 2 publications

References 73 publications

Investigation of Direct Electron Transfer of Glucose Oxidase on a Graphene-CNT Composite Surface: A Molecular Dynamics Study Based on Electrochemical Experiments

Investigation of Direct Electron Transfer of Glucose Oxidase on a Graphene-CNT Composite Surface: A Molecular Dynamics Study Based on Electrochemical Experiments

Regenerated Fiber’s Ideal Target: Comparable to Natural Fiber

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