Ultrahigh Resolution Mass Spectrometry and Indicator Species Analysis to Identify Marker Components of Soil- and Plant Biomass-Derived Organic Matter Fractions

Ohno, Tsutomu; He, Zhongqi; Sleighter, Rachel L.; Honeycutt, C. Wayne; Hatcher, Patrick G.

doi:10.1021/es101089t

Cited by 219 publications

(153 citation statements)

References 32 publications

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“…17,31,35,36 The stoichiometric ranges used to establish boundaries of the classification in such (van Krevelen) diagrams for the components found in NOM are quite variable in the literature. 36 Figure 3 panels d and e show the van Krevelen diagrams of the one-bromine-containing DBPs and twobromine-containing DBPs in the chlorinated artificial water fortified with Br − , respectively. Detailed molecular formulas for these Br-DBPs are listed in the Supporting Information, Table S3.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Characterization of Unknown Brominated Disinfection Byproducts during Chlorination Using Ultrahigh Resolution Mass Spectrometry

Zhang

Shi

et al. 2014

Environ. Sci. Technol.

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Brominated disinfection byproducts (Br-DBPs), formed from the reaction of disinfectant(s) with natural organic matter in the presence of bromide in raw water, are generally more cytotoxic and genotoxic than their chlorinated analogues. To date, only a few Br-DBPs in drinking water have been identified, while a significant portion of Br-DBPs in drinking water is still unknown. In this study, negative ion electrospray ionization ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) was used to characterize unknown Br-DBPs in artificial drinking water. In total, 441 formulas for one-bromine-containing products and 37 formulas for two-bromine-containing products, most of which had not been previously reported, were detected in the chlorinated sample. Most Br-DBPs have corresponding chlorine-containing analogues with identical CHO composition. In addition, on-resonance collisioninduced dissociation (CID) of single ultrahigh resolved bromine containing mass peaks was performed in the ICR cell to isolate single bromine-containing components in a very complex natural organic matter spectrum and provide structure information. Relatively abundant neutral loss of CO 2 was observed in MS−MS spectra, indicating that the unknown Br-DBPs are rich in carboxyl groups. The results demonstrate that the ESI FT-ICR MS method could provide valuable molecular composition and structure information on unknown Br-DBPs. ■ INTRODUCTIONDuring disinfection treatment of drinking water, naturally occurring bromide present in source water can be rapidly oxidized by chlorine to hypobromous acid (HOBr), which has been noted to be more powerful in reacting with natural organic matter (NOM) to form disinfection byproducts (DBPs) than hypochlorous acid (HOCl). 1−3 Toxicological studies have shown that brominated DBPs (Br-DBPs) are generally more cytotoxic and genotoxic than their chlorinated analogues. 4−7 For example, bacterial studies have shown that bromoacetic acid is approximately 20 times more cytotoxic and 200 times more mutagenic in Salmonella typhimurium strain TA100 than chloroacetic acid. 6 Mammalian cell studies have shown that bromoacetic acid is 90 times more cytotoxic and 25 times more genotoxic in Chinese hamster ovary cells than chloroacetic acid. 6 Identifying and controlling Br-DBPs have thus been important issues in securing drinking water safety.To date, approximately 110 Br-DBPs have been reported as drinking water DBPs, most of which were identified by gas chromatography/mass spectrometry (GC−MS) with or without derivatization. 6,8−10 Even with derivatization, however, GC−MS generally is not amenable to the detection of polar/ highly polar Br-DBPs. Zhang et al. 11 have recently developed the precursor ion scan (PIS) method using electrospray ionization-triple quadrupole mass spectrometry (ESI-tqMS) for fast selective detection of polar/highly polar Br-DBPs. In this method, precursor ion scans of m/z 79 and 81 were used to selectively detect the Br-DBPs, and product ion scan...

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Section: ■ Results and Discussionmentioning

confidence: 99%

Characterization of Unknown Brominated Disinfection Byproducts during Chlorination Using Ultrahigh Resolution Mass Spectrometry

Zhang

Shi

et al. 2014

Environ. Sci. Technol.

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“…Related techniques that can be used to track the movement of isotopic tracers from fine root pools into microbes and eventually into various SOM fractions include nanoSIMS (nano secondary ion mass spectrometry), and synchrotron-based spectromicroscopy (STXM; Keiluweit et al 2012). Details on the potential of these techniques for unraveling the mysteries of fine root decomposition have been discussed in a number of recent publications (Ohno et al 2010;Behrens et al 2012;Keiluweit et al 2012;van Dam and Bouwmeester 2016;Oburger and Schmidt 2016).…”

Section: Methodsological Considerations For Future Studiesmentioning

confidence: 99%

Maintaining connectivity: understanding the role of root order and mycelial networks in fine root decomposition of woody plants

Beidler

Pritchard

2017

Plant Soil

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Background The predictive power of climate models is limited by an incomplete understanding of the controls on fine root decomposition and thus belowground carbon cycling. To more accurately model rates of decay, fine root heterogeneity needs to be addressed in fine root decomposition studies. Branching order integrates both structural and chemical properties that are important in indicating litter quality and decay rate. Scope We discuss current views on the controls and patterns of fine root decomposition in combination with recent findings related to the effects of branching order and mycorrhizal decomposition. We examine the counterintuitive finding that nitrogen rich, lower order roots decompose more slowly than woody, higher order roots in temperate and subtropical forests. ConclusionsWe posit that slower decomposition of first and second compared to higher order roots might be caused by the poor carbon quality associated with higher concentrations of phenols in lower order roots or by inhibition of saprophytes by the mycorrhizal fungi that often preferentially inhabit these roots. Alternatively, apparent recalcitrance of lower order roots could be an experimental artifact caused by severing pre-mortem mycelial connections during sample processing, or exclusion of animals that graze fungal structures by the small mesh sizes characteristic of litterbags. To better predict the residence time of the carbon contained in the entire fine root pool, existing methods should be applied to individual root orders when practical. New methods for characterizing decomposition of undisturbed roots that have senesced naturally are greatly needed.

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“…The van Krevelen diagram is another widely used tool for visualizing FT-ICR MS data (van Krevelen, 1950;Schmidt et al, 2009;Ohno et al, 2010). In a van Krevelen diagram, individual molecular formulas are plotted based on their elemental ratios of hydrogen to carbon (H/C) and oxygen to carbon (O/C).…”

Section: Pattern Of I-dbpsmentioning

confidence: 99%

Characterization of unknown iodinated disinfection byproducts during chlorination/chloramination using ultrahigh resolution mass spectrometry

Wang

Zhang

et al. 2016

Science of The Total Environment

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Ultrahigh Resolution Mass Spectrometry and Indicator Species Analysis to Identify Marker Components of Soil- and Plant Biomass-Derived Organic Matter Fractions

Cited by 219 publications

References 32 publications

Characterization of Unknown Brominated Disinfection Byproducts during Chlorination Using Ultrahigh Resolution Mass Spectrometry

Characterization of Unknown Brominated Disinfection Byproducts during Chlorination Using Ultrahigh Resolution Mass Spectrometry

Maintaining connectivity: understanding the role of root order and mycelial networks in fine root decomposition of woody plants

Characterization of unknown iodinated disinfection byproducts during chlorination/chloramination using ultrahigh resolution mass spectrometry

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