2026-10-14T05:34:17Z https://api.figshare.com/v2/oai

oai:figshare.com:article/34024570 2026-09-29T14:33:36Z category_7 category_8 category_21 category_272 category_873 category_39 category_46 category_734 portal_63 item_type_6 month_year_09_2026

Co-Adsorption of Novobiocin and Three Common Surfactants on Polystyrene: Molecular Insights from Experiments and Simulations Diana S. Barrios (25137436) Gabriel D. Barbosa (16735312) Sepideh Razavi (1460233) Helen I. Zgurskaya (3093648) Brian P. Grady (2184753) Alberto Striolo (1609168) Medicine Microbiology Biotechnology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified Ecology Immunology Biological Sciences not elsewhere classified quartz crystal microbalance properly handle plastics cationic cetyltrimethylammonium bromide adsorbed surfactant films three surfactants  three surfactants yield three common surfactants 12 </ sub nvb film pre experimental results obtained computational results show results show computational results towards preventing somewhat similar several environments resistant microorganisms plastic surfaces molecular insights low concentrations essential components environmental dispersion dissipation monitoring consumer products aqueous solution aquatic environments although generalization advanced technologies active molecules In several environments, including wastewater treatment plants (WWTPs), plastics encounter surface-active molecules such as antibiotics and surfactants, essential components of consumer products, detergents, and drugs. In these conditions, synergistic and antagonistic effects could affect how surfactants and antibiotics compete for access to plastic surfaces. Experimental and computational results are presented here to quantify the adsorption on polystyrene (PS) of the antibiotic Novobiocin (NVB) in combination with adsorption of three surfactantsthe anionic docusate sodium salt, AOT; the cationic cetyltrimethylammonium bromide, CTAB; and the nonionic hexaethylene glycol monododecyl ether, C₁₂E₆. The experimental results obtained with a quartz crystal microbalance with dissipation monitoring (QCM-D) suggest that, rather than removing NVB, the three surfactants yield an adlayer on the NVB film pre-adsorbed on PS. On the contrary, an aqueous solution of NVB partially removes pre-adsorbed surfactant films, and co-adsorption at the PS surface likely occurs. To rationalize these observations, molecular simulations were conducted at low concentrations of NVB and surfactants, somewhat similar to those found in aquatic environments. The computational results show that the interactions between NVB and PS are stronger than those between surfactants and PS. Combined, the results show that NVB and these surfactants are likely to co-adsorb on the polystyrene surface. Although generalization is premature, the observed synergism might facilitate the environmental dispersion of both antibiotics and microplastics, suggesting that advanced technologies are required to properly handle plastics, microplastics, and antibiotics in WWTPs, towards preventing the spread of antibiotic-resistant microorganisms. 2026-09-29T00:00:00Z Text Journal contribution 10.1021/acs.langmuir.6c02613.s001 https://figshare.com/articles/journal_contribution/Co-Adsorption_of_Novobiocin_and_Three_Common_Surfactants_on_Polystyrene_Molecular_Insights_from_Experiments_and_Simulations/34024570 CC BY-NC 4.0