Modeling‐Led Materials‐Binding Peptide Design for Hexagonal Boron Nitride Interfaces
نویسندگان
چکیده
Abstract Peptides that can bind specific nanomaterials with affinity and specificity are attractive for realizing a wide range of applications. Manipulation biomolecule/2D‐material interfaces via noncovalent interactions in aqueous media has gained intensive attention due to the promising potential biomolecule‐facilitated 2D‐material exfoliation, dispersion, organization water. Such advances have been recently achieved graphene, where several peptide sequences demonstrated this capability. However, few peptides known binders hexagonal boron nitride ( h ‐BN), resulting lack fundamental knowledge regarding biomolecule/ ‐BN at interface. To address this, enhanced sampling techniques used complete set interfacial adsorption free energies all 20 amino acids, tripeptides. Based on these data, reductionist approach is proposed design new dodecapeptides anticipated stronger binding compared ‐BN‐binding peptide, BP7, based rearrangements tripeptide motifs within BP7. This hypothesis tested using replica exchange solute tempering molecular dynamics simulations, results indicate significantly increased surface contact two BP7‐derived sequences. work provides rational, economical, general propose, design, examine material‐binding their constituent properties.
منابع مشابه
Inter-layer potential for hexagonal boron nitride.
A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic overlaps of electron clouds, and monopolar electrostatic interactions. With appropriate parameterization, the potential is able to simultaneously capture wel...
متن کاملDesign of photonic microcavities in hexagonal boron nitride
We propose and design photonic crystal cavities (PCCs) in hexagonal boron nitride (hBN) for diverse photonic and quantum applications. Two dimensional (2D) hBN flakes contain quantum emitters which are ultra-bright and photostable at room temperature. To achieve optimal coupling of these emitters to optical resonators, fabrication of cavities from hBN is therefore required to maximize the overl...
متن کاملTOPICAL REVIEW Graphene on Hexagonal Boron Nitride
The field of graphene research has developed rapidly since its first isolation by mechanical exfoliation in 2004. Due to the relativistic Dirac nature of its charge carriers, graphene is both a promising material for next-generation electronic devices and a convenient low-energy testbed for intrinsically high-energy physical phenomena. Both of these research branches require the facile fabricat...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Advanced Materials Interfaces
سال: 2022
ISSN: ['2196-7350']
DOI: https://doi.org/10.1002/admi.202102397