Aqueous singlet oxygen reaction kinetics of furfuryl alcohol: effect of temperature, pH, and salt content

Appiani, Elena; Ossola, Rachele; Latch, Douglas E.; Erickson, Paul R.; McNeill, Kristopher

doi:10.1039/c6em00646a

Cited by 152 publications

(169 citation statements)

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“…51,52 The quantum yields (Φ 1O2 ) and steady-state concentrations of 1 O 2 ([ 1 O 2 ] ss ) were calculated from the observed loss rates of FFA (initial concentration = 10 μ M) and previously measured rate constants. 53,54 Quantum yields and f TMP were calculated with PNA-pyridine actinometry. All calculations are described in detail in SI Section S4.…”

Section: Methodsmentioning

confidence: 99%

Relationships Between Dissolved Organic Matter Composition and Photochemistry in Lakes of Diverse Trophic Status

Maizel

Remucal

2017

Environ. Sci. Technol.

121

167

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The North Temperate Lakes Long-Term Ecological Research site includes seven lakes in northern Wisconsin that vary in hydrology, trophic status, and landscape position. We examine the molecular composition of dissolved organic matter (DOM) within these lakes using Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS) and quantify DOM photochemical activity using probe compounds. Correlations between the relative intensity of individual molecular formulas and reactive species production demonstrate the influence of DOM composition on photochemistry. For example, highly aromatic, tannin-like formulas correlate positively with triplet formation rates, but negatively with triplet quantum yields, as waters enriched in highly aromatic formulas exhibit much higher rates of light absorption, but only slightly higher rates of triplet production. While commonly utilized optical properties also correlate with DOM composition, the ability of FT-ICR MS to characterize DOM subpopulations provides unique insight into the mechanisms through which DOM source and environmental processing determine composition and photochemical activity.

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Section: Methodsmentioning

confidence: 99%

Relationships Between Dissolved Organic Matter Composition and Photochemistry in Lakes of Diverse Trophic Status

Maizel

Remucal

2017

Environ. Sci. Technol.

121

167

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“…For example, singlet oxygen's short lifetime (3.6 ms ( ref. 60 )) means that it can only take part in reactions within a small sphere of diffusion from where it was generated. This phenomenon is illustrated in Fig.…”

Section: Interaction Of Exogenous Sensitizers With Microorganismsmentioning

confidence: 99%

Sunlight-mediated inactivation of health-relevant microorganisms in water: a review of mechanisms and modeling approaches

Nelson

Boehm

Davies‐Colley

et al. 2018

Environ. Sci.: Processes Impacts

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192

221

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Health-relevant microorganisms present in natural surface waters and engineered treatment systems that are exposed to sunlight can be inactivated by a complex set of interacting mechanisms. The net impact of sunlight depends on the solar spectral irradiance, the susceptibility of the specific microorganism to each mechanism, and the water quality; inactivation rates can vary by orders of magnitude depending on the organism and environmental conditions. Natural organic matter (NOM) has a large influence, as it can attenuate radiation and thus decrease inactivation by endogenous mechanisms. Simultaneously NOM sensitizes the formation of reactive intermediates that can damage microorganisms via exogenous mechanisms. To accurately predict inactivation and design engineered systems that enhance solar inactivation, it is necessary to model these processes, although some details are not yet sufficiently well understood. In this critical review, we summarize the photo-physics, -chemistry, and -biology that underpin sunlight-mediated inactivation, as well as the targets of damage and cellular responses to sunlight exposure. Viruses that are not susceptible to exogenous inactivation are only inactivated if UVB wavelengths (280-320 nm) are present, such as in very clear, open waters or in containers that are transparent to UVB. Bacteria are susceptible to slightly longer wavelengths. Some viruses and bacteria (especially Gram-positive) are susceptible to exogenous inactivation, which can be initiated by visible as well as UV wavelengths. We review approaches to model sunlightmediated inactivation and illustrate how the environmental conditions can dramatically shift the inactivation rate of organisms. The implications of this mechanistic understanding of solar inactivation are discussed for a range of applications, including recreational water quality, natural treatment systems, solar disinfection of drinking water (SODIS), and enhanced inactivation via the use of sensitizers and photocatalysts. Finally, priorities for future research are identified that will further our understanding of the key role that sunlight disinfection plays in natural systems and the potential to enhance this process in engineered systems. Environmental signicanceThe manuscript provides a comprehensive synthesis of the current understanding of the mechanisms by which sunlight causes damage to microorganisms, ultimately leading to inactivation. This topic is important for understanding the fate and transport of microbiological contaminants in all sunlit surface waters, including fresh and marine ecosystems, as well as engineered treatment systems.

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“…To determine R1 O 2 , it is recommended to use furfuryl alcohol (FFA) as a probe and carry out another irradiation experiment with the same RB concentration and irradiation set-up as before. In this case, the kinetic system is made up of Equations (27) and (28) plus the following [55]:…”

Section: Reaction With 1 Omentioning

confidence: 99%

A Critical View of the Application of the APEX Software (Aqueous Photochemistry of Environmentally-Occurring Xenobiotics) to Predict Photoreaction Kinetics in Surface Freshwaters

Vione

2019

Molecules

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The APEX (aqueous photochemistry of environmentally occurring xenobiotics) software computes the phototransformation kinetics of compounds that occur in sunlit surface waters. It is free software based on Octave, and was originally released in 2014. Since then, APEX has proven to be a remarkably flexible platform, allowing for the addressing of several environmental problems. However, considering APEX as a stand-alone software is not conducive to exploiting its full potentialities. Rather, it is part of a whole ecosystem that encompasses both the software and the laboratory protocols that allow for the measurement of substrate photoreactivity parameters. Coherently with this viewpoint, the present paper shows both how to use APEX, and how to experimentally derive or approximately assess the needed input data. Attention is also given to some issues that might provide obstacles to users, including the extension of APEX beyond the simple systems for which it was initially conceived. In particular, we show how to use APEX to deal with compounds that undergo acid-base equilibria, and with the photochemistry of systems such as stratified lakes, lakes undergoing evaporation, and rivers. Hopefully, this work will provide a reference for the smooth use of one of the most powerful instruments for the modeling of photochemical processes in freshwater environments. All authors have read and agreed to the published version of the manuscript. Molecules 2020, 25, 9 2 of 34 the main ones in surface waters being chromophoric dissolved organic matter (CDOM), nitrate, and nitrite [3,4]. The irradiation of all the mentioned photosensitizers yields the photoreactive transient • OH (hydroxyl radical), which can produce another transient (CO 3 •− , the carbonate radical) upon reaction with inorganic carbon species (HCO 3 − and CO 3 2− ) [5]. Irradiated CDOM can also produce reactive triplet states ( 3 CDOM*), and the latter yield singlet oxygen ( 1 O 2 ) upon reaction with dissolved O 2 [3,6]. All the mentioned transient species ( • OH, CO 3 •− , 3 CDOM*, and 1 O 2 ) are involved to some extent in indirect pollutant phototransformation, depending on the reactivity of the given pollutant towards each transient [7,8]. Although they play a key role in indirect phototransformation of pollutants, the transients are mostly scavenged/quenched by natural water components. The latter include: (i) dissolved organic matter (DOM, either chromophoric or not), HCO 3 − and CO 3 2− in the case of • OH (plus Br − , which plays the main role in some saltwaters and in seawater); (ii) DOM again in the case of CO 3 •− ; (iii) dissolved O 2 for 3 CDOM*; and (iv) the water solvent for 1 O 2 [7]. The main mentioned formation and scavenging processes are summarized by the reactions below [3-7]: Molecules 2020, 25, 9 3 of 34 to validate this approach by comparing the predicted kinetics with known field data of pollutant phototransformation. Validation has been obtained in the cases of carbamazepine [18], ibuprofen [19], diclofenac and naproxen [20], atrazine [2...

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Aqueous singlet oxygen reaction kinetics of furfuryl alcohol: effect of temperature, pH, and salt content

Cited by 152 publications

References 56 publications

Relationships Between Dissolved Organic Matter Composition and Photochemistry in Lakes of Diverse Trophic Status

Relationships Between Dissolved Organic Matter Composition and Photochemistry in Lakes of Diverse Trophic Status

Sunlight-mediated inactivation of health-relevant microorganisms in water: a review of mechanisms and modeling approaches

A Critical View of the Application of the APEX Software (Aqueous Photochemistry of Environmentally-Occurring Xenobiotics) to Predict Photoreaction Kinetics in Surface Freshwaters

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