Effect of polydopamine surface modification on the adhesive properties of nano‐injection molded metal‐polymer interfaces: A molecular dynamics simulation study

Xin, Yong; Yuan, Tian; Luo, Xin; Liu, DongLei; Evsyukov, S. A.

doi:10.1002/pen.26651

Cited by 3 publications

(1 citation statement)

References 43 publications

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“…Studies have used MD simulations to predict crucial information about the DNA aptamer binding site location and orientation as well as the functionalized surface, whose conformational changes may influence the resulting biosensor’s properties. One material substrate that has gained popularity is the PDA surface, which can be used to enhance the structural and surface characteristics of biosensors while also increasing their efficiency ( Chen and Buehler, 2018 ; Li et al, 2021 ; Zhang et al, 2021 ; Xin et al, 2024 ).…”

Section: Introductionmentioning

confidence: 99%

DNA aptamer-functionalized PDA nanoparticles: from colloidal chemistry to biosensor applications

Zaw,

Noon Shean Aye,

Daduang

et al. 2024

Front. Bioeng. Biotechnol.

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Polydopamine nanoparticles (PDA NPs) are widely utilized in the field of biomedical science for surface functionalization because of their unique characteristics, such as simple and low-cost preparation methods, good adhesive properties, and ability to incorporate amine and oxygen-rich chemical groups. However, challenges in the application of PDA NPs as surface coatings on electrode surfaces and in conjugation with biomolecules for electrochemical sensors still exist. In this work, we aimed to develop an electrochemical interface based on PDA NPs conjugated with a DNA aptamer for the detection of glycated albumin (GA) and to study DNA aptamers on the surfaces of PDA NPs to understand the aptamer-PDA surface interactions using molecular dynamics (MD) simulation. PDA NPs were synthesized by the oxidation of dopamine in Tris buffer at pH 10.5, conjugated with DNA aptamers specific to GA at different concentrations (0.05, 0.5, and 5 μM), and deposited on screen-printed carbon electrodes (SPCEs). The charge transfer resistance of the PDA NP-coated SPCEs decreased, indicating that the PDA NP composite is a conductive bioorganic material. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) confirmed that the PDA NPs were spherical, and dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FTIR), and Raman spectroscopy data indicated the successful conjugation of the aptamers on the PDA NPs. The as-prepared electrochemical interface was employed for the detection of GA. The detection limit was 0.17 μg/mL. For MD simulation, anti-GA aptamer through the 5′terminal end in a single-stranded DNA-aptamer structure and NH2 linker showed a stable structure with its axis perpendicular to the PDA surface. These findings provide insights into improved biosensor design and have demonstrated the potential for employing electrochemical PDA NP interfaces in point-of-care applications.

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Section: Introductionmentioning

confidence: 99%

DNA aptamer-functionalized PDA nanoparticles: from colloidal chemistry to biosensor applications

Zaw,

Noon Shean Aye,

Daduang

et al. 2024

Front. Bioeng. Biotechnol.

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Study on the interfacial bonding mechanism of nano‐injection molding PPS/PA6@Al: A molecular dynamics simulation study

Liu,

Zhang

et al. 2024

Polymer Engineering & Sci

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Nano‐injection molding technology is widely used in producing lightweight and high‐strength composites. In this study, seven polymer‐metal interfacial models with inverted trapezoidal nano‐slots were constructed using the polymers polypropylene sulfide (PPS), polyamide 6 (PA6), and the metal aluminum (Al), where the formula ratio of PPS/PA6 is different. Molecular dynamics simulation was used to analyze the PPS/PA6 motion behavior and interfacial bonding mechanism during the nano‐injection molding process of the PPS/PA6 blend modification. The results indicated that the addition of strongly polarized PA6 to the inert material PPS could effectively enhance the interfacial bond strength of PPS/Al. Because the strong polar amide group in PA6 increased the force between the molecular chain and the metal surface, which led to more anchors forming between the interfaces, the number of anchors at the heterogeneous interfaces increased with the increase of PA6 content. In the interfacial damage simulations, adding PA6 enhanced the interfacial bonding energy, which required greater loading stresses to disengage the anchored molecular chains from the interface.Highlights Strongly polarized amide groups in PA6 enhance the forces. Addition of strongly polar PA6 gets higher interfacial energy and filling ratio. Failure modes: Y‐shear and Z‐tensile.

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High-Performance Flexible Strain Sensor Based on Thermoplastic Polyurethane Melt-Blown Nonwoven with Molybdenum Disulfide for Human Motion Monitoring

Sun,

Xie,

Liu

et al. 2024

ACS Appl. Electron. Mater.

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Flexible wearable strain sensors have received great attention due to the wide applications in human motion monitoring, human−machine interfaces, and artificial intelligence robots. Thermoplastic elastic polymer films and fabrics are often used as their substrates. Thermoplastic polyurethane meltblown nonwoven (TPU MB) can be considered as a substrate because of some advantages over these materials in terms of simple fabrication process, low price, and good breathability. Molybdenum disulfide (MoS 2 ), a member of transition metal dichalcogenides, is a promising candidate for next-generation flexible sensing devices due to its unique semiconductor essence and outstanding mechanical strength. Hence, we develop a high-performance flexible wearable strain sensor based on TPU MB with a microcrack structure consisting of two-dimensional (2D) MoS 2 nanosheets bridged by onedimensional (1D) multiwalled carbon nanotubes (MWCNTs). MoS 2 and MWCNTs are anchored on the modified surface of TPU MB by polydopamine (PDA) with the assistance of simple ultrasound to obtain MoS 2 /MWCNTs@TPU MB flexible strain sensors. The influence of the mass ratio of MoS 2 to MWCNTs on the sensing performances of the sensors is discussed. Due to the synergistic effect of MoS 2 with high electron mobility and MWCNTs with good conductivity, when the mass ratio of MoS 2 to MWCNTs is 1:0.9, the MoS 2 /MWCNTs 0.9 @TPU MB flexible strain sensor exhibits a wide sensing range from 0.5% to 300%, remarkable sensitivity (GF = 4271.9), fast response time (330 ms), and excellent durability (2600 tensile cycles). Benefiting from these superior sensing performances, this sensor can be successfully applied in monitoring large human motion (squatting, walking, and finger, elbow, and wrist bending) and subtle facial expression change (smiling, opening mouth, frowning, and raising eyebrows) as well as recognizing various vocal cord vibration modes (swallowing and pronunciation of various English words), which displays a great potential in intelligent wearable devices and soft robots.

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Effect of polydopamine surface modification on the adhesive properties of nano‐injection molded metal‐polymer interfaces: A molecular dynamics simulation study

Cited by 3 publications

References 43 publications

DNA aptamer-functionalized PDA nanoparticles: from colloidal chemistry to biosensor applications

DNA aptamer-functionalized PDA nanoparticles: from colloidal chemistry to biosensor applications

Study on the interfacial bonding mechanism of nano‐injection molding PPS/PA6@Al: A molecular dynamics simulation study

High-Performance Flexible Strain Sensor Based on Thermoplastic Polyurethane Melt-Blown Nonwoven with Molybdenum Disulfide for Human Motion Monitoring

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