<b>A computer program to simplify analysis of mass scan data of organometallic compounds from high‐resolution mass spectrometers</b>

Doran, Michael C.; LeBlanc, Kelly L.

doi:10.1002/rcm.7748

Cited by 7 publications

(2 citation statements)

References 2 publications

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“…Spectra of algal-derived DOM were similar before and after Hg addition suggesting limited ion suppression using ESI Orbitrap HRMS ( Figures S3-S5,S10), congruent with previous studies (Chen et al, 2017). A total of 52, 28 and 19 Hg-DOM complexes were detected for C. reinhardtii, C. vulgaris, and S. obliquus, respectively, based on exact mass, theoretical Hg isotopic distribution, Winnow score (Doran and LeBlanc, 2016), and 202 Hg: 200 Hg ratios (Figure 4). A total of 37, 39 and 23 Hg-DOM complexes were found at 12:12, 16:8, and 20:4 h, respectively which accounted for 1.6-2.6% of the total assigned peaks.…”

Section: Changes In Hg Binding Dom Composition With Varying Photoperiodssupporting

confidence: 88%

Molecular Characterization of Mercury Binding Ligands Released by Freshwater Algae Grown at Three Photoperiods

Mangal

Phung

Nguyen

et al. 2019

Front. Environ. Sci.

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Interactions between algal derived dissolved organic matter (DOM) and mercury (Hg) are crucial for understanding the fate, transport, and bioavailability of Hg to methylating microorganisms. For the first time, high resolution mass spectrometry (Q-Exactive Orbitrap) was used to examine Hg binding ligands released by Chlorella vulgaris, Chlamydomonas reinhardtii, and Scenedesmus obliquus grown at three light:dark photoperiods (i.e., 12:12, 16:8, and 20:4 h). Van Krevelen diagrams showed a significant increase in carbohydrate and protein DOM and a decrease in released lipid-like molecules as light exposure increased. Hg binding DOM were initially in the form of CHO molecular formulas whereas a shift to higher light durations prompted more Hg to be complexed to CHON and CHONS DOM structures. Despite an overall change in bulk DOM composition, molecular similarities existed in Hg binding DOM as light exposure increased. Hg binding ligands were more similar based on the exposed light duration than based algal species, suggesting growth photoperiods influence Hg binding more than algal taxa. Hg binding DOM at 16:8 and 20:4 h growth cycles were more aromatic and homologous in nature when compared to darker growth conditions that resulted in smaller, more aliphatic Hg-DOM complexes rich in sulfur and thiols. Together, these results highlight the importance of photoperiod on the composition of released DOM and its complexation with Hg.

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Section: Changes In Hg Binding Dom Composition With Varying Photoperiodssupporting

confidence: 88%

Molecular Characterization of Mercury Binding Ligands Released by Freshwater Algae Grown at Three Photoperiods

Mangal

Phung

Nguyen

et al. 2019

Front. Environ. Sci.

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“…An equal quantity of Pacbitun greenstone grit from each of Specimens A and B, together with similar quantities of grit from Specimens KMM and Fish, were analyzed by MALDI using the ultra‐high‐resolution SolariX XR FTICR mass spectrometer equipped with a 7 T magnetic field; the instrument is described in detail elsewhere . The instrument is equipped with both an electrospray ionization (ESI) source and a MALDI source, a quadrupole mass filter, a hexapole collision cell, and a hexapole ion guide for ion transfer to the ion cyclotron resonance cell located at the center of a shielded superconducting magnet.…”

Section: Experimental Methods and Equipmentmentioning

confidence: 99%

An inductively coupled plasma study and an ion cyclotron resonance matrix‐assisted laser/desorption study at high mass resolution of two ancient Maya greenstone artifacts from Pacbitun, Belize, and two decorative jade specimens

March

2020

Rapid Comm Mass Spectrometry

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Rationale Two Early Classic period (ca 250–600 CE) Maya carved, greenstone jade pendants, Specimens A and B, were recovered from the Pacbitun site in Belize in 1987. Mass scans of resolution ~600,000 were obtained for the jade pendants and two British Columbia jade ornaments. Methods Polyatomic ions from jade grit have been observed using Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS), specifically the Bruker Daltonics, SolariX XR, combined with matrix‐assisted laser desorption/ionization (MALDI); the matrix material was α‐cyano‐4‐hydroxycinnamicacid. Results Presented here is an interpretation of the mass spectrometric observations from multiplicities of silicate materials. Observation of novel polyatomic ion species of m/z 800–1400 indicate the ejection of charged ensembles composed of 60–180 atoms from jade grit. The charged ensembles represent minute regions of jade grit that have retained many of the spatial relationships of atoms within the jade; the required ejection energy is provided by laser photons accumulated in the matrix. Acid solutions of grit from Specimens A and ornament KMM were analyzed by inductively‐coupled plasma mass spectrometry. The novelty of this application of mass spectrometry to jade was reported in the Journal of Archaeological Science: Reports. Conclusions Isotopic fine structure analysis can yield elemental compositions for ions composed of base isotopes together with stable isotope intensities arising from ions with one and two additional neutrons. The analysis is challenging as jade is a multiplicity of similar solid solutions; thus, a multiple isotopic fine structure approach has been explored. Attempts to compose ensembles of atoms, of those elements found normally in coloured silicates, to match the observed ion mass/charge ratios were unsuccessful without the addition of multiple hydrogen atoms. The production of polyatomic ions of siliceous material may permit impinging fine glass coatings onto construction materials for protection against fire and weather.

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Calculation of elemental composition of gaseous ions from stable nuclei signals using high resolution mass spectrometry (HRMS): Examination of the stages involved

March

Stairs

Stock

2017

International Journal of Mass Spectrometry

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A computer program to simplify analysis of mass scan data of organometallic compounds from high‐resolution mass spectrometers

Cited by 7 publications

References 2 publications

Molecular Characterization of Mercury Binding Ligands Released by Freshwater Algae Grown at Three Photoperiods

Molecular Characterization of Mercury Binding Ligands Released by Freshwater Algae Grown at Three Photoperiods

An inductively coupled plasma study and an ion cyclotron resonance matrix‐assisted laser/desorption study at high mass resolution of two ancient Maya greenstone artifacts from Pacbitun, Belize, and two decorative jade specimens

Calculation of elemental composition of gaseous ions from stable nuclei signals using high resolution mass spectrometry (HRMS): Examination of the stages involved

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