Designing benign molecules: The influence of O-acetylated glucosamine-substituents on the environmental biodegradability of fluoroquinolones

Lorenz, Stefanie; Suaifan, Ghadeer A. R. Y.; Kümmerer, Klaus

doi:10.1016/j.chemosphere.2022.136724

Cited by 5 publications

(4 citation statements)

References 53 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…26 Many important MS methods and related studies focus on the qualitative/ quantitative determination of quinolones 27,28 and their derivatives. 29,30 A few studies have been conducted on fragmentation pathways and mechanism of quinolones. Neta et al 31…”

Section: Introductionmentioning

confidence: 99%

“…Quinolones are a type of antibacterial medicines used in the treatment of intestines, 23 cancer, 24 bacteria, 25 and parasites 26 . Many important MS methods and related studies focus on the qualitative/quantitative determination of quinolones 27,28 and their derivatives 29,30 . A few studies have been conducted on fragmentation pathways and mechanism of quinolones.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Deciphering and investigating fragment mechanism of quinolones using multi‐collision energy mass spectrometry and computational chemistry strategy

Lin

Zhou

Zhang

et al. 2023

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

Rationale: Quinolones show characteristic fragments in mass spectrometry (MS) analysis due to their common core structures, and energy-dependent differences among these fragments are generated through the same fragmentation pathway of different molecules. Computational chemistry, which provides quantitative results of molecule parameters, is helpful for investigating the mechanisms of chemistry.Methods: MS/MS spectra of five quinolones, namely norfloxacin (NOR), enoxacin (ENO), enrofloxacin (ENR), gatifloxacin (GAT), and lomefloxacin (LOM), were acquired for deciphering fragmentation pathways under multi-collision energy (CE).Computational methods were used for excluding little possibility pathways from the point of view of energy and stable conformations, whereas optimized collision energy (OCE) and maximum relative intensity (MRI) of major competitive fragments were investigated and confirmed using computational results.Results: Fragmentation results of NOR, ENO, ENR, and GAT were deciphered using experimental and computational data, of which fragmentation regularities were summarized. Fragmentation pathways of LOM were deciphered under the guidance of foregoing regularities. Meanwhile, the whole process was validated by comparing OCE and MRI and computational energy results, which showed good agreement.Conclusions: A strategy for explaining quinolone fragmentation results of multi-CE values and deciphering fragment mechanism using computational methods was developed. Relevant data and strategy may provide ideas for how to design and decipher new drug molecules with similar structures.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Deciphering and investigating fragment mechanism of quinolones using multi‐collision energy mass spectrometry and computational chemistry strategy

Lin

Zhou

Zhang

et al. 2023

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

show abstract

“…Currently, many disinfectants used in the household setting have been categorized as antimicrobials under pharmaceuticals and personal care products (PPCPs) ( 5 ), the latter of which have been accepted as an important class of emerging environmental contaminants and attracted increasing attention in recent years ( 5 , 23 ). Especially for minimizing the environmental risks posed by pharmaceutical emerging contaminants, the green drug design under the concept of sustainable pharmacy has been believed as a critical component in the practical framework to integrate considerations for environmental fate and risk into the stage of new drug development ( 5 , 24 – 27 ). The green drugs obtained through improving the environmental biodegradability of pharmaceutical molecules or developing plant-derived active compounds having minimal ecological impact have been generally considered as “eco-friendly” products and safer than their traditional counterparts ( 24 – 27 ).…”

Section: Discussionmentioning

confidence: 99%

“…Especially for minimizing the environmental risks posed by pharmaceutical emerging contaminants, the green drug design under the concept of sustainable pharmacy has been believed as a critical component in the practical framework to integrate considerations for environmental fate and risk into the stage of new drug development ( 5 , 24 – 27 ). The green drugs obtained through improving the environmental biodegradability of pharmaceutical molecules or developing plant-derived active compounds having minimal ecological impact have been generally considered as “eco-friendly” products and safer than their traditional counterparts ( 24 – 27 ). Similarly, the development and market introduction of environmental friendly disinfectants would act as a key route to minimize the risks posed by disinfectant emerging contaminants ( 2 ).…”

Section: Discussionmentioning

confidence: 99%

Knowledge, attitudes and practice regarding environmental friendly disinfectants for household use among residents of China in the post-pandemic period

Tong

Zhu

Chen

et al. 2023

Front. Public Health

View full text Add to dashboard Cite

BackgroundA sharp rise in household consumption of disinfectants triggered by COVID-19 pandemic has generated tremendous environmental burden and risks of disinfectant emissions in the post-pandemic period. To address this emerging challenge, replacing highly hazardous disinfectants with more environmental friendly alternatives has been accepted as an inherently effective solution to environment issues posed by disinfectant emerging contaminants. However, no study has yet been done to explore the potential customers' attitudes and the market prospect of environmental friendly disinfectants until now.MethodsThis cross-sectional questionnaire-based survey was conducted from January to March, 2022, among resident volunteers in China, to explore the practices, knowledge and attitudes of the public regarding environmental friendly disinfectants for household use.ResultsAmong a total of 1,861 Chinese residents finally included in the analyses, 18% agreed or strongly agreed that they paid special attention to the environmental certification label on the product, and only bought the environmental certified disinfectant products; 16% and 10% were using environmental friendly disinfectants for hand sanitization and environmental disinfection, respectively. The mean self-assessed and actual knowledge scores were 2.42 ± 1.74 and 2.12 ± 1.97, respectively, out of a total of 5. Participants having good practices of consuming environmental friendly disinfectants achieved higher knowledge scores. Residents' overall attitudes toward the development, consumption and application of environmental friendly disinfectants were very positive. “Possible conflict between disinfection effectiveness and environmental factor of disinfectants in a context of severe COVID-19 pandemic” was considered as the most important barrier jeopardizing the participants' usage intention for environmental friendly disinfectants.ConclusionsThese data suggested most residents of China had a positive attitude, poor knowledge and practices toward environmental friendly disinfectants. More should be done to enhance the residents' environmental knowledge levels about disinfectants, and to further develop and promote disinfectant products with both excellent disinfection activity and environmentally friendly attributes.

show abstract

Combined effects of fluoroquinolone antibiotics and organophosphate flame retardants on Microcystis aeruginosa

Zhao

et al. 2023

Environ Sci Pollut Res

View full text Add to dashboard Cite

Designing benign molecules: The influence of O-acetylated glucosamine-substituents on the environmental biodegradability of fluoroquinolones

Cited by 5 publications

References 53 publications

Deciphering and investigating fragment mechanism of quinolones using multi‐collision energy mass spectrometry and computational chemistry strategy

Deciphering and investigating fragment mechanism of quinolones using multi‐collision energy mass spectrometry and computational chemistry strategy

Knowledge, attitudes and practice regarding environmental friendly disinfectants for household use among residents of China in the post-pandemic period

Combined effects of fluoroquinolone antibiotics and organophosphate flame retardants on Microcystis aeruginosa

Contact Info

Product

Resources

About