Dataset Information

High-throughput screening and rational design of biofunctionalized surfaces with optimized biocompatibility and antimicrobial activity.

ABSTRACT: Peptides are widely used for surface modification to develop improved implants, such as cell adhesion RGD peptide and antimicrobial peptide (AMP). However, it is a daunting challenge to identify an optimized condition with the two peptides showing their intended activities and the parameters for reaching such a condition. Herein, we develop a high-throughput strategy, preparing titanium (Ti) surfaces with a gradient in peptide density by click reaction as a platform, to screen the positions with desired functions. Such positions are corresponding to optimized molecular parameters (peptide densities/ratios) and associated preparation parameters (reaction times/reactant concentrations). These parameters are then extracted to prepare nongradient mono- and dual-peptide functionalized Ti surfaces with desired biocompatibility or/and antimicrobial activity in vitro and in vivo. We also demonstrate this strategy could be extended to other materials. Here, we show that the high-throughput versatile strategy holds great promise for rational design and preparation of functional biomaterial surfaces.

SUBMITTER: Fang Z

PROVIDER: S-EPMC8213795 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

High-throughput screening and rational design of biofunctionalized surfaces with optimized biocompatibility and antimicrobial activity.

Fang Zhou Z Chen Junjian J Zhu Ye Y Hu Guansong G Xin Haoqian H Guo Kunzhong K Li Qingtao Q Xie Liangxu L Wang Lin L Shi Xuetao X Wang Yingjun Y Mao Chuanbin C

Nature communications 20210618 1

Peptides are widely used for surface modification to develop improved implants, such as cell adhesion RGD peptide and antimicrobial peptide (AMP). However, it is a daunting challenge to identify an optimized condition with the two peptides showing their intended activities and the parameters for reaching such a condition. Herein, we develop a high-throughput strategy, preparing titanium (Ti) surfaces with a gradient in peptide density by click reaction as a platform, to screen the positions with ...[more]

PMID: 34145249

Similar Datasets

Project description:The growing global threat posed by microorganisms resistant to conventional antimicrobials underscores the urgent need for novel agents to control infections. The aim of this study was to evaluate the antimicrobial activity and biocompatibility of alpha-silver tungstate (α-Ag2WO4) nanoparticles (NPs) synthesized by the ultrasonic method. The NPs were characterized, and their antimicrobial activity was assessed against Candida albicans, Staphylococcus aureus, and Escherichia coli using the broth microdilution method, determining the minimum inhibitory concentration (MIC) and minimum bactericidal/fungicidal concentration (MBC/MFC). Intracellular reactive oxygen species (ROS) production was detected by fluorescence using the CM-H₂DCFDA probe. Cytotoxicity was evaluated using murine L929 fibroblasts by MTT assay. Cell viability of both microorganisms and L929 fibroblasts was further assessed using Confocal Laser Scanning Fluorescence Microscopy (CLSM). For C. albicans, the MIC was 3.90 μg/mL, and the MFC was 7.81 μg/mL. For S. aureus, the MIC and MBC were both 62.50 μg/mL, while E. coli exhibited MIC and MBC values of 0.48 μg/mL. The biocompatibility assay revealed a significant reduction in cell viability at concentrations starting from 15.62 μg/mL. CLSM images corroborated the results from both microbiological and biocompatibility assays. Additionally, ROS production was detected in all three microorganisms upon exposure to the NPs, confirming their antimicrobial mechanism. In conclusion, α-Ag₂WO₄ NPs effectively inactivated C. albicans, S. aureus, and E. coli. However, a higher concentration was required to inhibit S. aureus compared to E. coli and C. albicans. The biocompatibility assay revealed concentration-dependent cytotoxic effects. These findings highlight the potential of α-Ag2WO4 NPs as antimicrobial agents and suggest further research into their efficacy against biofilms, optimization of their biocompatibility, and the application of these nanomaterials in the incorporation and coating of materials used in biomedical and dental devices.

Project description:The successful large-scale implementation of hydrogen as an energy vector requires high performance electrodes and catalysts made of abundant materials. Rational materials design strategies are the most efficient means of reaching this goal. Here we present a study on the adsorption of H-atoms onto fcc transition metal surfaces and propose descriptors for the rational design of electrodes and catalysts by means of correlations between fundamental properties of the materials and among other properties, their experimentally measured performance as hydrogen evolution electrodes (HEE). A large set of quantum mechanical modelling data at the DFT level was produced, covering the adsorption of H-atoms onto the most stable surfaces (100), (110) and (111) of: Ag, Au, Co, Cu, Ir, Ni, Pd, Pt and Rh. For each material and surface, a coverage dependent set of minimum energy structures was produced and chemical potentials for adsorption of H-atoms were obtained. Averaging procedures are here proposed to approach modelling to the experiments. Several correlations between the computed data and experimentally measured quantities are done to validate our methodology: surface plane dependent adsorption energies, chemical potentials and experimentally determined surface energies and work functions. We search for descriptors of catalytic activity by testing correlations between the DFT data obtained from our averaging procedures and experimental data on HEE performance. Our methodology allows us to obtain linear correlations between the adsorption energy of H-atoms and the exchange current density (i0) in a HEE, avoiding the volcano-like plots. We show that the chemical potential has limitations as a descriptor of i0 because it reaches an early plateau in terms of i0. Simple quantities obtained from database data such as the first stage electronegativity (χ) as devised by Mulliken has a strong linear correlation i0. With a quantity we denominate modified second-stage electronegativity (χ2m) we can reproduce the typical volcano plot in a correlation with i0. A theoretical and conceptual framework is presented. It shows that both χ and χ2m, that depend on the first ionization potential, second ionization potential and electron affinity of the elements can be used as descriptors in rational design of electrodes or of catalysts for hydrogen systems.

Dataset Information

High-throughput screening and rational design of biofunctionalized surfaces with optimized biocompatibility and antimicrobial activity.

Publications

High-throughput screening and rational design of biofunctionalized surfaces with optimized biocompatibility and antimicrobial activity.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets