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Unraveling the Adsorption Behavior of Thymol on Carbon and Silica Nanospheres for Prolonged Antibacterial Activity Experimental and DFT Studies
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Document Title
Unraveling the Adsorption Behavior of Thymol on Carbon and Silica Nanospheres for Prolonged Antibacterial Activity Experimental and DFT Studies
Author
Sosa N. Phanthasri J. Yodsin N. Samun Y. Rungnim C. Namuangruk S. Youngjan S. Wanmolee W. Butburee T. Nakajima H. Supruangnet R. Faungnawakij K. Khemthong P. Sukrong S.
Affiliations
Functional Materials and Nanotechnology Center of Excellence Walailak University Nakhon Si Thammarat 80160 Thailand; National Nanotechnology Center (NANOTEC) National Science and Technology Development Agency (NSTDA) Pathum Thani 12120 Thailand; Department of Chemistry Faculty of Science Silpakorn University Nakhon Pathom 73000 Thailand; Center of Excellence in DNA Barcoding of Thai Medicinal Plants Department of Pharmacognosy and Pharmaceutical Botany Faculty of Pharmaceutical Sciences Chulalongkorn University Bangkok 103300 Thailand; National Electronics and Computer Technology Center (NECTEC) National Science and Technology Development Agency (NSTDA) Pathum Thani 12120 Thailand; Synchrotron Light Research Institute Nakhon Ratchasima 30000 Thailand
Type
Article
Source Title
ACS Applied Bio Materials
ISSN
25766422
Year
2023
Volume
6
Issue
10
Page
4240-4249
Open Access
All Open Access Hybrid Gold Green
Publisher
American Chemical Society
DOI
10.1021/acsabm.3c00460
Abstract
Functionalization of thymol (Thy) on nanocarriers is a key step in achieving prolonged antimicrobial activity. This requires nanomaterials with uniform particle diameters and suitable thymol sorption. Herein hollow carbon (HC) and SiO2-carbon core-shell (SiO2@C) were investigated due to their diverse morphologies and ease of surface modification. HC (14 ? 1 nm size) and SiO2@C (10 ? 1.5 nm size) were synthesized by the St?ber method before thymol was loaded by incipient wetness impregnation. Nanoparticle physicochemical properties were characterized by advanced techniques including X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS). Adsorption energies of thymol on the carbon and SiO2 surfaces were elucidated by density functional theory (DFT) simulations. Moreover the in vitro thymol release profiles and antibacterial activity were evaluated. The experimental results indicated that the oxy-carbon surface species of HC led to longer thymol release profiles than the -OH group of SiO2@C. The DFT calculations revealed that the weaker physical interaction of thymol on HC was better for drug release than that on SiO2@C. Thus a longer thymol release profile of HC with hollow structures showed better antibacterial performance against Gram-positive bacteria Staphylococcus aureus than that of SiO2@C with core-shell structures. This work confirms the important role of carbon morphology and specific functional groups in thymol release profiles for the further development of inhibition products. ? 2023 The Authors. Published by American Chemical Society
Keyword
Antibacterial activity | DFT | hollow carbon | SiO2-carbon core-shell | Thymol
License
CC BY
Rights
Authors
Publication Source
WOS