Molecular understanding of acetylcholinesterase adsorption on functionalized carbon nanotubes for enzymatic biosensors

Yang, Shengjiang; Zhao, Daohui; Xu, Zhiyong; Yu, Hai; Jian, Zhou

doi:10.1039/d1cp04997f

Cited by 11 publications

(3 citation statements)

References 93 publications

(125 reference statements)

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“…Comparatively, molecular dynamics (MD) simulation serves as a powerful tool to allow an atomistic-level insight into the orientations and conformations of proteins adsorbed at oil–water interfaces. To date, some studies − investigated protein adsorption on charged solid surfaces. However, as previously mentioned, the greater complexity and uncertainty of oil–water interfaces compared with those of solid–water surfaces increase the difficulty in characterizing the protein structure, implying that conventional means are not plausible for quantitatively analyzing protein behavior at the oil–water interface.…”

Section: Introductionmentioning

confidence: 99%

Orientation and Conformation of Hydrophobin at the Oil–Water Interface: Insights from Molecular Dynamics Simulations

Yang

Chen

et al. 2022

Langmuir

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Hydrophobins, a new class of potential protein emulsifiers, have been extensively employed in the food, pharmaceutical, and chemical industries. However, the knowledge of the underlying molecular mechanism of protein adsorption at the oil−water interface remains elusive. In this study, all-atom molecular dynamics simulations were performed to probe the adsorption orientation and conformation change of class II hydrophobin HFBI at the cyclohexane−water interface. It was proposed that a hydrophobic dipole of the protein could be used to quantitatively predict the orientation of the adsorbed HFBI. Simulation results revealed that HFBI adsorbed at the interface with the patch-up orientation toward the oil phase, regardless of its initial orientations. HFBI's secondary structure was maintained to be intact in the course of simulations despite relatively significant variations in the tertiary structure observed, which could well preserve the bioactivity of HFBI. From the energy analysis, the driving force for interface adsorption was primarily determined by van der Waals interactions between HFBI and cyclohexane. Further analysis indicated that the adsorption orientation and conformation of HFBI at the oil−water interface were typically regulated by the hydrophobic patch and some key residues. This study provides some insights into the orientation, conformation, and adsorption mechanism of proteins at the oil−water interface and theoretical guidelines for the design and development of novel biological emulsifiers involved in the food, pharmaceutical, and chemical industries.

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Section: Introductionmentioning

confidence: 99%

Orientation and Conformation of Hydrophobin at the Oil–Water Interface: Insights from Molecular Dynamics Simulations

Yang

Chen

et al. 2022

Langmuir

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“…They can be used for sensors of various chemical and biological substances, such as ethylene, glucose, various enzymes, etc 103) . Computational studies are needed to study the molecular sensor mechanism, for example, the type of interaction between the sensor and the analyte (covalent or non-covalent) [104][105][106][107] , and the adsorption behavior of the analyte into the sensor material [108][109] .…”

Section: Computational Insight In Carbon Nanotubes Based Sensorsmentioning

confidence: 99%

Recent Trends and Application of Nanomaterial Based on Carbon Paste Electrodes: A Short Review

Wijaya,

Remi Ayu Pratika,

Nadia

et al. 2023

Evergreen

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Carbon paste electrodes (CPEs) are a type of electrochemical sensor that have been widely used for sensing and monitoring various analytes. Recently, there has been a growing interest in incorporating nanomaterials into CPEs to improve their performance and sensitivity.Here are some recent trends and applications of modified CPEs based on nanomaterials, which have been shown to have enhanced sensitivity and selectivity for the detection of various analytes such as those in food and drug samples. The high surface area and electrical conductivity of CPEs make them ideal for use in electrochemical sensing applications. Nanomaterial-based CPEs have also been widely studied for their high sensitivity and selectivity in sensing various analytes. Nanomaterials such as Multi-Walled Carbon Nanotube (MWCNT), Single-Walled carbon Nanotube (SWNCT), Graphene, or other naomaterial have excellent electrical conductivity, large surface area, and high mechanical strength, making it an attractive nanomaterial for use in CPEs. A CPEs-based nanomaterial has been used in electrochemical detection, demonstrating improved sensitivity compared to traditional CPEs. In general, the incorporation of nanomaterials into CPEs has opened up new opportunities for the development of highly sensitive and selective electrochemical sensors for a wide range of applications including environmental monitoring, drug diagnosis, and food safety.

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“…Literature survey shows that electrochemical biosensors have been classified into three generations (Karadurmus et al, 2021): In the first generation biosensor, enzymatic reactions use naturally occurring chemical molecules for electrochemical detection; while in the second generation biochemical biosensors, active form of the enzyme is used in the medium which directly sends or receives electrons to or from the electrode; and in the third generation biosensors, the enzyme gets bound to the electronic material, and direct electron transfer is affected (Karadurmus et al, 2021). Apart from this, many immobilized enzyme‐based amperometric biosensors like acetylcholinesterase immobilized over different nanomaterials are currently in use for the detection of organophosphorus pesticides (Yang et al, 2022).…”

Section: Electrochemical Enzyme‐based Biosensorsmentioning

confidence: 99%

Recent advances in enzymatic biosensors for point‐of‐care detection of biomolecules

Gupta

Arun

et al. 2022

Biotech & Bioengineering

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Late state‐of‐the‐art analytical methodologies in chromatography, spectroscopy, and electroanalysis have been developed to meet the challenges of changing environmental and health issues. The modern trends in developing new protocols emphasize economic, portable, nano, or even smaller sample sizes and less time‐consuming processes. This has led to the development of technology‐based biosensors which meet most of the above requirements. The lab‐on‐chip technology exploiting enzyme‐based biosensors has made the analytical processes very efficient, accurate, affordable, and requiring nano‐scale sample sizes. In this review, an attempt is being made to review the literature based on state‐of‐the‐art technology of enzyme‐based biosensors for the detection of biomolecules.

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Molecular understanding of acetylcholinesterase adsorption on functionalized carbon nanotubes for enzymatic biosensors

Abstract: The immobilization of acetylcholinesterase on different nanomaterials has been widely used in the field of amperometric organophosphorus pesticides (OPs) biosensors. However, the molecular adsorption mechanism of acetylcholinesterase on the nanomaterials...

Cited by 11 publications

References 93 publications

Orientation and Conformation of Hydrophobin at the Oil–Water Interface: Insights from Molecular Dynamics Simulations

Orientation and Conformation of Hydrophobin at the Oil–Water Interface: Insights from Molecular Dynamics Simulations

Recent Trends and Application of Nanomaterial Based on Carbon Paste Electrodes: A Short Review

Recent advances in enzymatic biosensors for point‐of‐care detection of biomolecules

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