Potential toxic effects of sulfonamides antibiotics: Molecular modeling, multiple-spectroscopy techniques and density functional theory calculations

Zhu, Meiqing; Pang, Xiaohui; Wan, Jie; Xu, Xiaoping; Wei, Xueyu; Hua, Rimao; Zhang, Xiaoying; Wang, Yi; Yang, Xiaofan

doi:10.1016/j.ecoenv.2022.113979

Cited by 31 publications

(14 citation statements)

References 49 publications

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“…The energy difference (ΔE = E LUMO − E HOMO ) is widely used to quantitatively assess the overall stability of the molecule. 50 As shown in Figure 2b, the smallest ΔE values of TP290 and TP304 suggested their easier reaction. Notably, the atom of C( 5) on TP290 and TP304 possessed a relatively higher nucleophilic attack index (f +1 ) value (Figures S5 and S8).…”

Section: The Mechanisms Of Tmp Biodegradation 321 Tmp Biodegradation ...mentioning

confidence: 85%

“…Then, the −OH at this position of TP292 and TP306 could be dehydrogenated to form oxidative products TP290 and TP304 (ketone product). The energy difference (Δ E = E LUMO – E HOMO ) is widely used to quantitatively assess the overall stability of the molecule . As shown in Figure b, the smallest Δ E values of TP290 and TP304 suggested their easier reaction.…”

Section: Results and Discussionmentioning

confidence: 99%

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Synergistic Control of Trimethoprim and the Antimicrobial Resistome in Electrogenic Microbial Communities

Wei,

Zhang,

Liang

et al. 2024

Environ. Sci. Technol.

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Synergistic control of the risks posed by emerging antimicrobials and antibiotic resistance genes (ARGs) is crucial for ensuring ecological safety. Although electrogenic respiration can enhance the biodegradation of several antimicrobials and reduce ARGs accumulation, the association mechanisms of antimicrobial biodegradation (trimethoprim, TMP) with the fate of the antimicrobial resistome remain unclear. Here, the biotransformation pathway of TMP, microbial associations, and functional gene profiles (e.g., degradation, antimicrobial resistance, and electron transfer) were analyzed. The results showed that the microbial electrogenic respiration significantly enhanced the biodegradation of TMP, especially with a cosubstrate sodium acetate supply. Electroactive bacteria enriched in the electrode biofilm positively correlated with potential TMP degraders dominated in the planktonic communities. These cross-niche microbial associations may contribute to the accelerated catabolism of TMP and extracellular electron transfer. Importantly, the evolution and dissemination of overall ARGs and mobile genetic elements (MGEs) were significantly weakened due to the enhanced cometabolic biodegradation of TMP. This study provides a promising strategy for the synergistic control of the water ecological risks of antimicrobials and their resistome, while also highlighting new insights into the association of antimicrobial biodegradation with the evolution of the resistome in an electrically integrated biological process.

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Section: The Mechanisms Of Tmp Biodegradation 321 Tmp Biodegradation ...mentioning

confidence: 85%

Section: Results and Discussionmentioning

confidence: 99%

Synergistic Control of Trimethoprim and the Antimicrobial Resistome in Electrogenic Microbial Communities

Wei,

Zhang,

Liang

et al. 2024

Environ. Sci. Technol.

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“…[141,142] Moreover, even in environments with relatively low concentrations, such as surface water, groundwater, and wastewater treatment plants, antibiotic residues may still pose a public safety concern due to their high toxicity. [143] Therefore, degradation of SAs in water is of great relevance. Traditional wastewater treatment procedures include biological treatment, adsorption methods, and chemical reactions have drawbacks including poor removal effectiveness, high cost, a difficult operating process, and significant secondary contamination.…”

Section: Degradation Of Sulfonamides By Doping G-c 3 Nmentioning

confidence: 99%

Recent Advances on g‐C₃N₄ Based Photocatalysts for Typical Antibiotics Photodegradation: Preparation, Mechanism and Influencing Factors

Wang,

Niu,

Yang

et al. 2023

ChemistrySelect

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Antibiotics cause negative impacts on the ecosystem and people‘s health, and it is imperative to reduce antibiotic residuum in a green and sustainable way. There has been a broad application of photocatalytic technology in the sewage treatment field. Compared with metal oxides, graphite carbon nitride, as an n‐type non‐metallic semiconducting polymer, has an applicable energy gap, simple preparation and easily accessible. Yet the g‐C3N4 of simple preparation tends to have some crucial weaknesses like rapid charge carrier recombination, underutilization of the visible spectrum and incomplete mineralization, which severely confine its farther application. Element doping modification enormously improves the separation of g‐C3N4 photogenic hole‐charge, which is applied to the removal of antibiotics in wastewater. The doping modification of g‐C3N4‐based semiconductor photocatalysts and research progress in the photocatalytic degradation of various antibiotics (sulfonamides, β‐lactam, quinolones, tetracycline) in water are reviewed in this paper, and the preparation of g‐C3N4, the sorts and principles of elemental doping are investigated, with emphasis on the application of g‐C3N4 towards the photocatalytic degradation of antibiotics, and the existing problems and challenges in this field are put forward.

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Section: Introductionmentioning

confidence: 99%

“…Fluorescence detection is useful for studying interactions between biological macromolecules and small molecule compounds [16][17][18]. Upon binding to small molecule compounds, endogenous fluorescent chromophores of proteins are able to undergo fluorescence quenching [16]. The intensity of the emission peak of serum albumin decreased regularly and gradually with the gradual increase of the concentration of small molecule substances, indicating that the interaction between small molecule compounds and serum albumin occurred [19][20][21].…”

Section: Introductionmentioning

confidence: 99%

A Pilot Study on the Concentration, Distribution and Bioaccumulation of Polybrominated Diphenyl Ethers (PBDEs) in Tissues and Organs of Grassland Sheep

Chen

Yang

Bao

et al. 2022

IJERPH

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Polybrominated diphenyl ether (PBDE) concentrations in various tissues and organs of grassland sheep from Inner Mongolia, China, were determined. The abilities of PBDEs binding to ovine serum albumin (OSA) and Cytochrome P450 enzyme (CYP3A24) were assessed by fluorescence spectroscopy and molecular docking simulations. The PBDE concentrations in the sheep tissue and organ samples were 33.4–167 pg/g dw. The distribution of PBDEs in sheep organs and tissues is affected not only by the function of organs and tissues, but also by the characteristics of PBDEs. Adipose tissue tends to bioaccumulate more-brominated BDEs (BDE-154, -153, and -183), but muscle tissues and visceral organs mainly bioaccumulate less-brominated BDEs. The distribution of PBDEs in visceral organs is mainly affected by the transport of ovine serum albumin (OSA) and the metabolism of CYP3A24 enzyme. The distribution of PBDEs in adipose tissue and brain is mainly affected by their logKOW.

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Potential toxic effects of sulfonamides antibiotics: Molecular modeling, multiple-spectroscopy techniques and density functional theory calculations

Cited by 31 publications

References 49 publications

Synergistic Control of Trimethoprim and the Antimicrobial Resistome in Electrogenic Microbial Communities

Synergistic Control of Trimethoprim and the Antimicrobial Resistome in Electrogenic Microbial Communities

Recent Advances on g‐C₃N₄ Based Photocatalysts for Typical Antibiotics Photodegradation: Preparation, Mechanism and Influencing Factors

A Pilot Study on the Concentration, Distribution and Bioaccumulation of Polybrominated Diphenyl Ethers (PBDEs) in Tissues and Organs of Grassland Sheep

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Potential toxic effects of sulfonamides antibiotics: Molecular modeling, multiple-spectroscopy techniques and density functional theory calculations

Cited by 31 publications

References 49 publications

Synergistic Control of Trimethoprim and the Antimicrobial Resistome in Electrogenic Microbial Communities

Synergistic Control of Trimethoprim and the Antimicrobial Resistome in Electrogenic Microbial Communities

Recent Advances on g‐C3N4 Based Photocatalysts for Typical Antibiotics Photodegradation: Preparation, Mechanism and Influencing Factors

A Pilot Study on the Concentration, Distribution and Bioaccumulation of Polybrominated Diphenyl Ethers (PBDEs) in Tissues and Organs of Grassland Sheep

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Product

Resources

About

Recent Advances on g‐C₃N₄ Based Photocatalysts for Typical Antibiotics Photodegradation: Preparation, Mechanism and Influencing Factors