Interaction of silicene with amino acid analogues—from physical to chemical adsorption in gas and solvated phases

Jagvaral, Yesukhei; He, Haiying; Pandey, Ravindra

doi:10.1088/2053-1583/aa8c92

Cited by 9 publications

(6 citation statements)

References 36 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Because of its puckered hexagonal structure, silicene could absorb physically Phe by weak π‐π interaction and formed a “face‐to‐face” configuration between the phenyl group of Phe 35 and silicene. Silicene is acidic, thereby it interacts stronger with the more basic functional groups and the binding of deprotonated amino acid (such as Asp) to silicene is large 42 . There are three hydrophobic residues Phe 6, Phe 10 and Phe 17 that constructs the hydrophobic core to maintain HP35's structure and stability.…”

Section: Resultsmentioning

confidence: 99%

“…Silicene is acidic, thereby it interacts stronger with the more basic functional groups and the binding of deprotonated amino acid (such as Asp) to silicene is large. 42 There are three hydrophobic residues Phe 6, Phe 10 and Phe 17 that constructs the hydrophobic core to maintain HP35's structure and stability. In the case of HP35-graphene, the three Phe residues were firmly adsorbed onto graphene by π-π stacking interaction, which causes the denaturation of HP35.…”

Section: Structure and Energy Evolution Of Hp35 During Adsorptionmentioning

confidence: 99%

See 1 more Smart Citation

Exploring the effect of silicene monolayer on the structure and function of villin headpiece and amyloid fibrils by molecular dynamics simulations

et al. 2020

View full text Add to dashboard Cite

With the development of various nanomaterial expected to be used in biomedical fields, it is more important to evaluate and understand their potential effects on biological system. In this work, two proteins with different structure, Villin Headpiece (HP35) with α‐helix structure and protofibrils Aβ1‐42 with five β‐strand chains, were selected and their interactions with silicene were studied by means of molecular dynamics (MD) simulation to reveal the potential effect of silicene on the structure and function of biomolecules. The obtained results indicated that silicene could rapidly attract HP35 and Aβ1‐42 fibrils onto the surface to form a stable binding. The adsorption strength was moderate and no significant structural distortion of HP35 and Aβ1‐42 fibrils was observed. Moreover, the strength of calculated the H‐bonds in neighbor chain of Aβ1‐42 fibrils indicated that the mild interactions between silicene and fibrils could regularize the structure of Aβ1‐42 fibrils and stabilize the interactions between five chains of fibrils protein, which might enhance the aggregation of Aβ1‐42 fibrils. This study provides a new insight for understanding the interaction between nanomaterials and biomolecules and moves forward the development of silicene into biomedical fields.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Structure and Energy Evolution Of Hp35 During Adsorptionmentioning

confidence: 99%

Exploring the effect of silicene monolayer on the structure and function of villin headpiece and amyloid fibrils by molecular dynamics simulations

et al. 2020

View full text Add to dashboard Cite

show abstract

“…A number of other small organic molecules or molecular fragments have been used to modify the surface of Xenes [120,[188][189][190][191][192][193][194][195][196]. These structures should be stable, as concluded from DFT calculations, and display rich electronic properties, easily tunable by exchanging functional groups.…”

Section: Adsorption Of Moleculesmentioning

confidence: 99%

Functionalization of group-14 two-dimensional materials

Krawiec

2018

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

The great success of graphene has boosted intensive search for other single-layer thick materials, mainly composed of group-14 atoms arranged in a honeycomb lattice. This new class of two-dimensional (2D) crystals, known as 2D-Xenes, has become an emerging field of intensive research due to their remarkable electronic properties and the promise for a future generation of nanoelectronics. In contrast to graphene, Xenes are not completely planar, and feature a low buckled geometry with two sublattices displaced vertically as a result of the interplay between sp and sp orbital hybridization. In spite of the buckling, the outstanding electronic properties of graphene governed by Dirac physics are preserved in Xenes too. The buckled structure also has several advantages over graphene. Together with the spin-orbit (SO) interaction it may lead to the emergence of various experimentally accessible topological phases, like the quantum spin Hall effect. This in turn would lead to designing and building new electronic and spintronic devices, like topological field effect transistors. In this regard an important issue concerns the electron energy gap, which for Xenes naturally exists owing to the buckling and SO interaction. The electronic properties, including the magnitude of the energy gap, can further be tuned and controlled by external means. Xenes can easily be functionalized by substrate, chemical adsorption, defects, charge doping, external electric field, periodic potential, in-plane uniaxial and biaxial stress, and out-of-plane long-range structural deformation, to name a few. This topical review explores structural, electronic and magnetic properties of Xenes and addresses the question of their functionalization in various ways, including external factors acting simultaneously. It also points to future directions to be explored in functionalization of Xenes. The results of experimental and theoretical studies obtained so far have many promising features making the 2D-Xene materials important players in the field of future nanoelectronics and spintronics.

show abstract

“…Experimentally the adsorption of tryptophan was verified using an MoS 2 based field effect transistors. 2D materials beyond graphene have also been investigated for amino acids adsorption for biosensor applications: silicene and graphdiyne have been investigated for amino acid adsorption [33,34]. Zhao et al utilised ab initio calculations to understand the adsorption fundamentals of amino acids on 2D graphitic carbon nitride [35].…”

Section: Introductionmentioning

confidence: 99%

Detection of type-Ⅱ diabetes using graphene-based biosensors

Roondhe,

Saha,

Luo

et al. 2024

J. Phys. D: Appl. Phys.

View full text Add to dashboard Cite

Diabetes is a global pandemic that increases the risk of various health complications, including heart attacks, renal failure, blindness, stroke, and peripheral neuropathy. Type-2 Diabetes (T2D) results from an imbalance in lipid and glucose metabolism due to hostility to insulin action and insufficient insulin production response. Valine amino acid has been identified as a potential biomarker for T2D, but there have been no rigorous studies on its interaction with branch chain amino acids. In this study, we investigated the potential of graphene/modified graphene as a valine biosensor using density functional theory to examine the electronic properties and adsorption behavior of graphene, Si-doped graphene, and P-doped graphene. The adsorption of valine over the substrates was physisorption in nature, and the adsorption energies were in the order of SiG>G>PG. DOS and PDOS calculations confirmed the molecule's adsorption over the monolayers and indicated variations in the electronic properties. We also performed recovery time calculations to examine the reusability of the nano-surfaces as potential biosensors. Ultrafast recovery times were predicted for all three systems, with Si-doped graphene showing the best results. Our study suggests that Si-doped graphene could be used as a biosensor for valine, providing a real-time and efficient diagnostic tool for T2D.

show abstract

Interaction of silicene with amino acid analogues—from physical to chemical adsorption in gas and solvated phases

Abstract: Interaction of silicene with amino acid analogues-from physical to chemical adsorption in gas and solvated phases To cite this article: Yesukhei Jagvaral et al 2018 2D Mater. 5 015012 View the article online for updates and enhancements.

Cited by 9 publications

References 36 publications

Exploring the effect of silicene monolayer on the structure and function of villin headpiece and amyloid fibrils by molecular dynamics simulations

Exploring the effect of silicene monolayer on the structure and function of villin headpiece and amyloid fibrils by molecular dynamics simulations

Functionalization of group-14 two-dimensional materials

Detection of type-Ⅱ diabetes using graphene-based biosensors

Contact Info

Product

Resources

About