Hydroxyl radical-mediated degradation of salicylic acid and methyl paraben: an experimental and computational approach to assess the reaction mechanisms

Arslan, Evrim; Hekimoglu, Basak Savun; Çınar, Sesil Agopcan; Ince, Nilsun H.; Avi̇yente, Vi̇ktorya

doi:10.1007/s11356-019-06048-3

Cited by 12 publications

(2 citation statements)

References 37 publications

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“…The second mechanism (b) shows the formation of P2 (MW = 125) via the reaction of caffeine with water to yield an intermediate (MW = 140) through bond rupture, followed by demethylation (ΔG ‡ =54.5 kcal mol −1 , ΔG rxn = 32.9 kcal mol −1 ). In general, high energy barriers of bond rupture and demethylation reactions are well known and reported in the literature [60] , [61] .…”

Section: Resultsmentioning

confidence: 97%

Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization

Ziylan-Yavaş

Ince

Ozon

et al. 2021

Ultrasonics Sonochemistry

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The study consists of a detailed investigation of the degradability of the emerging water contaminant-caffeine by homogeneous and heterogeneous Advanced Oxidation Processes (AOP’s), estimation of a synergy index for each hybrid operation thereof, and proposing the most plausible reaction mechanisms that are consistent with the experimental data. It also encompasses evaluation of the effect of the water matrix represented by carbonate species and humic acids, as strong scavengers of hydroxyl radicals. The results showed that single AOP’s such as sonolysis (577 kHz) and photolysis with H 2 O 2 provided complete caffeine elimination, but they were insufficient for the mineralization of the compound. Hybrid AOP’s were considerably more effective, particularly when operated at a heterogeneous mode using commercial TiO 2 . The most effective hybrid process was UV-H 2 O 2 /TiO 2 , which provided more than 75% TOC decay at the minimum test doses of the reagent and catalyst. While the addition of ultrasound to the process significantly increased the rate of caffeine decomposition, it reduced the overall degradation of the compound to 64% in terms of TOC decay. The antagonistic effect was attributed to the formation of excess H 2 O 2 , and the presence of cavity clouds and/or high density layers that inhibited the transmission of UV light. The effect of natural water ingredients was found to reduce the reaction rates, signifying the major contribution of hydroxyl radicals to the destruction of caffeine. The proposed reaction mechanisms based on OH radical attack and the calculated energy barriers were in good agreement with the experimentally detected reaction byproducts.

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Section: Resultsmentioning

confidence: 97%

Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization

Ziylan-Yavaş

Ince

Ozon

et al. 2021

Ultrasonics Sonochemistry

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“…The advanced oxidation processes (AOPs) can produce highly oxidizing free radicals, including HO· and SO 4 , which can mineralize some EPs with strong toxicity and stable chemical properties into CO 2 , H 2 O, and other inorganic small molecular substances, or transform them into low toxic and easily biodegradable small molecular organics (Arslan, Hekimoglu, Cinar, Ince, & Aviyente, 2019; Jaén‐Gil et al, 2019). In the treatment of EPs, AOPs have been widely concerned by researchers for their advantages of high efficiency, wide application range, and low secondary pollution (Capodaglio, 2019; Russo, Tammaro, Salluzzo, Andreozzi, & Marotta, 2019).…”

Section: Chemical Oxidationmentioning

confidence: 99%

Emerging pollutants—Part II: Treatment

Liu

Zhang

Chang

2020

Water Environment Research

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Emerging pollutants (EPs) refer to a class of pollutants, which are emerging in the environment or recently attracted attention. EPs mainly include pharmaceutical and personal care products (PPCPs), endocrine-disrupting chemicals (EDCs), and antibiotic resistance genes (ARGs). EPs have potential threats to human health and ecological environment. In recent years, the continuous detections of EPs in surface and ground water have brought huge challenges to water treatment and also made the treatment of EPs become an international research hotspot. This paper summarizes some research results on EPs treatment published in 2019. This paper may be helpful to understand the current situations and development trends of EP treatment technologies.

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Photocatalytic removal of parabens and halogenated products in wastewater: a review

2021

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Hydroxyl radical-mediated degradation of salicylic acid and methyl paraben: an experimental and computational approach to assess the reaction mechanisms

Cited by 12 publications

References 37 publications

Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization

Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization

Emerging pollutants—Part II: Treatment

Photocatalytic removal of parabens and halogenated products in wastewater: a review

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