Impact of instrument and experiment parameters on reproducibility of ultrahigh resolution ESI FT-ICR mass spectra of natural organic matter

Soule, Melissa C. Kido; Longnecker, Krista; Giovannoni, Stephen J.; Kujawinski, Elizabeth B.

doi:10.1016/j.orggeochem.2010.05.017

Cited by 91 publications

(64 citation statements)

References 45 publications

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“…The protocols described here allow for the creation of a spectral database of DOM P characteristics and for identification of target features of interest for additional chemical analyses, such as nuclear magnetic resonance spectroscopy and high-resolution mass spectrometry (Aluwihare et al, 1999; Soule et al, 2010). Spectral data can be compared against existing metabolomic databases for compound identification (Tautenhahn et al, 2012a,b).…”

Section: Discussionmentioning

confidence: 99%

Closely related phytoplankton species produce similar suites of dissolved organic matter

et al. 2014

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Production of dissolved organic matter (DOM) by marine phytoplankton supplies the majority of organic substrate consumed by heterotrophic bacterioplankton in the sea. This production and subsequent consumption converts a vast quantity of carbon, nitrogen, and phosphorus between organic and inorganic forms, directly impacting global cycles of these biologically important elements. Details regarding the chemical composition of DOM produced by marine phytoplankton are sparse, and while often assumed, it is not currently known if phylogenetically distinct groups of marine phytoplankton release characteristic suites of DOM. To investigate the relationship between specific phytoplankton groups and the DOM they release, hydrophobic phytoplankton-derived dissolved organic matter (DOMP) from eight axenic strains was analyzed using high-performance liquid chromatography coupled to mass spectrometry (HPLC-MS). Identification of DOM features derived from Prochlorococcus, Synechococcus, Thalassiosira, and Phaeodactylum revealed DOMP to be complex and highly strain dependent. Connections between DOMP features and the phylogenetic relatedness of these strains were identified on multiple levels of phylogenetic distance, suggesting that marine phytoplankton produce DOM that in part reflects its phylogenetic origin. Chemical information regarding the size and polarity ranges of features from defined biological sources was also obtained. Our findings reveal DOMP composition to be partially conserved among related phytoplankton species, and implicate marine DOM as a potential factor influencing microbial diversity in the sea by acting as a link between autotrophic and heterotrophic microbial community structures.

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Section: Discussionmentioning

confidence: 99%

Closely related phytoplankton species produce similar suites of dissolved organic matter

et al. 2014

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“…Because the pool of molecules in DOM is so complex and exhibits variability across space and time Kujawinski et al 2009;Herzsprung et al 2012), the importance of collecting and analyzing more samples across spatial and temporal scales cannot be overstressed. Second, while SPE is fairly robust and reproducible, there is some variability introduced by sample processing and, to date, with a few exceptions (e.g., Kido-Soule et al 2010), this variability has not been much addressed in limnological and oceanographic studies. In order to do true replicates, the concentration step has to be repeated as well as the instrumental analysis.…”

Section: Discussionmentioning

confidence: 99%

Rapid solid phase extraction of dissolved organic matter

Swenson

Oyler

Minor

2014

Limnology & Ocean Methods

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Dissolved organic matter (DOM) is a complex mixture of molecules found ubiquitously in freshwater and saltwater environments. Its structures contain valuable information content on the sources of molecules as well as the mechanisms at work within an aquatic ecosystem. Recent advancements in high resolution mass spectrometry and liquid chromatography have made inroads into determinations of the molecular structures within DOM. Such analyses, however, generally require a prior step to concentrate/isolate DOM, and this step often limits the number of samples that can be analyzed. This study has developed a fast method to concentrate DOM on commercially available online solid phase extraction (SPE) cartridges, which can be directly eluted onto an HPLC‐MS system. This rapid solid phase extraction (RSPE) method requires less sample (10‐100 mL) than previous SPE methods for DOM isolation. Additionally, this study tested a suite of SPE phases to find a combination that improves DOM recovery as compared with commonly used approaches. When a polystyrene divinylbenzene phase (RP‐1) was coupled with an activated carbon (CAR) phase, recoveries were found to be significantly higher than in previous SPE studies relying upon single phases. RSPE was tested for a diverse set of salty and freshwater samples with recoveries ranging from 46% to 78% of the total DOC. It was also tested on a suite of model compounds (including caffeine) and should be applicable to anthropogenic compounds in aquatic environments, although, in such cases, optimization may be needed to minimize the natural organic matter signal that was maximized in this study.

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“…A syringe pump delivered analyte into the spray chamber at 4 mL min À1 with a capillary temperature of 260 8C and a capillary voltage of À17.50 V. The FT-ICR-MS was calibrated using a Thermo Scientific LTQ-FT external calibration mix. For both positive and negative ion modes, at least 200 scans were collected using the parameters described in Kido Soule et al [47] The transients were processed using SimStich [48] and aligned with MATLAB code provided by Mantini et al [49] as described in Bhatia et al [50] Exact masses were processed with Midas Molecular Formula Calculator (v1.1) as described by Altieri et al [41] to provide elemental formulae of detected species.…”

Section: Oh Radical Concentrationsmentioning

confidence: 99%

Glyoxal secondary organic aerosol chemistry: effects of dilute nitrate and ammonium and support for organic radical–radical oligomer formation

Kirkland¹,

Lim²,

Tan³

et al. 2013

Environ. Chem.

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Environmental context. Atmospheric waters (clouds, fogs and wet aerosols) are media in which gases can be converted into particulate matter. This work explores aqueous transformations of glyoxal, a water-soluble gas with anthropogenic and biogenic sources. Results provide new evidence in support of previously proposed chemical mechanisms. These mechanisms are beginning to be incorporated into transport models that link emissions to air pollution concentrations and behaviour.Abstract. Glyoxal (GLY) is ubiquitous in the atmosphere and an important aqueous secondary organic aerosol (SOA) precursor. At dilute (cloud-relevant) organic concentrations, OH radical oxidation of GLY has been shown to produce oxalate. GLY has also been used as a surrogate species to gain insight into radical and non-radical reactions in wet aerosols, where organic and inorganic concentrations are very high (in the molar region). The work herein demonstrates, for the first time, that tartarate forms from GLY þ OH . Tartarate is a key product in a previously proposed organic radical-radical reaction mechanism for oligomer formation from GLY oxidation. Previously published model predictions that include this GLY oxidation pathway suggest that oligomers are major products of OH radical oxidation at the high organic concentrations found in wet aerosols. The tartarate measurements herein provide support for this proposed oligomer formation mechanism. This paper also demonstrates, for the first time, that dilute (cloud or fog-relevant) concentrations of inorganic nitrogen (i.e. ammonium and nitrate) have little effect on the GLY þ OH chemistry leading to oxalate formation in clouds. This, and results from previous experiments conducted with acidic sulfate, increase confidence that the currently understood dilute GLY þ OH chemistry can be used to predict GLY SOA formation in clouds and fogs. It should be recognised that organic-inorganic interactions can play an important role in droplet evaporation chemistry and in wet aerosols. The chemistry leading to SOA formation in these environments is complex and remains poorly understood.

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Impact of instrument and experiment parameters on reproducibility of ultrahigh resolution ESI FT-ICR mass spectra of natural organic matter

Cited by 91 publications

References 45 publications

Closely related phytoplankton species produce similar suites of dissolved organic matter

Closely related phytoplankton species produce similar suites of dissolved organic matter

Rapid solid phase extraction of dissolved organic matter

Glyoxal secondary organic aerosol chemistry: effects of dilute nitrate and ammonium and support for organic radical–radical oligomer formation

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