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      Chemical analysis of Brasilimeria Stach, 1949 (Hexapoda, Collembola, Neanuridae) hemolymphatic secretion, and description of a new species

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          Abstract

          Though Collembola is a widespread hexapod its use of chemical compounds for defense has been reported for only a few European species. Chemical composition analyses of the hemolymphatic secretion of Neotropical Collembola using Gas Chromatography with Mass Spectrometry (GC-MS) has been performed for the first time. The GC-MS analysis revealed 32 constituents, such as aliphatic and aromatic hydrocarbons, esters, alcohols, a phenol, an aldehyde and a ketone. Benzyl benzoate, the main component (at 46.98%), is a compound with known acaricide and insecticide properties. This is the first report on chemical constituents produced by Neotropical Pseudachorutinae, genus Brasilimeria, and will permit future secretion comparisons for Collembola. The taxonomic description of the species producing the secretion analyzed is provided; Brasilimeria assu sp. nov. (Collembola, Neanuridae, Pseudachorutinae) is the third known species of the genus; an updated diagnosis of the genus, an identification key, and further remarks on the species Brasilimeria Stach, 1949 are provided.

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          Global chemical analysis of biology by mass spectrometry

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            Accurate Dereplication of Bioactive Secondary Metabolites from Marine-Derived Fungi by UHPLC-DAD-QTOFMS and a MS/HRMS Library

            In drug discovery, reliable and fast dereplication of known compounds is essential for identification of novel bioactive compounds. Here, we show an integrated approach using ultra-high performance liquid chromatography-diode array detection-quadrupole time of flight mass spectrometry (UHPLC-DAD-QTOFMS) providing both accurate mass full-scan mass spectrometry (MS) and tandem high resolution MS (MS/HRMS) data. The methodology was demonstrated on compounds from bioactive marine-derived strains of Aspergillus, Penicillium, and Emericellopsis, including small polyketides, non-ribosomal peptides, terpenes, and meroterpenoids. The MS/HRMS data were then searched against an in-house MS/HRMS library of ~1300 compounds for unambiguous identification. The full scan MS data was used for dereplication of compounds not in the MS/HRMS library, combined with ultraviolet/visual (UV/Vis) and MS/HRMS data for faster exclusion of database search results. This led to the identification of four novel isomers of the known anticancer compound, asperphenamate. Except for very low intensity peaks, no false negatives were found using the MS/HRMS approach, which proved to be robust against poor data quality caused by system overload or loss of lock-mass. Only for small polyketides, like patulin, were both retention time and UV/Vis spectra necessary for unambiguous identification. For the ophiobolin family with many structurally similar analogues partly co-eluting, the peaks could be assigned correctly by combining MS/HRMS data and m/z of the [M + Na]+ ions.
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              Effective Use of Mass Spectrometry in the Clinical Laboratory

              Historically the success of mass spectrometry in the clinical laboratory has focused on drugs of abuse confirmations, newborn screening, and steroid analysis. Clinical applications of mass spectrometry continue to expand, and mass spectrometry is now being used in almost all areas of laboratory medicine.
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                Author and article information

                Contributors
                Role: ConceptualizationRole: Formal analysisRole: Project administrationRole: SupervisionRole: Writing – original draft
                Role: Formal analysisRole: ResourcesRole: VisualizationRole: Writing – original draft
                Role: ConceptualizationRole: MethodologyRole: ResourcesRole: Writing – original draft
                Role: Formal analysisRole: MethodologyRole: VisualizationRole: Writing – original draft
                Role: Editor
                Journal
                PLoS One
                PLoS ONE
                plos
                plosone
                PLoS ONE
                Public Library of Science (San Francisco, CA USA )
                1932-6203
                21 February 2019
                2019
                : 14
                : 2
                : e0212451
                Affiliations
                [1 ] Laboratório de Sistemática de Colembolla e Conservação, Department of Biological Sciences, State University of Paraíba, João Pessoa—PB, Brazil
                [2 ] Setor de Apterygota, Department of Entomology, Nacional Museum/Federal University of Rio de Janeiro, Rio de Janeiro––RJ, Brasil
                [3 ] Núcleo de Pesquisa em Produtos Naturais e Sintéticos, Department of Physics and Chemistry, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto—SP, Brazil
                [4 ] Laboratório de Síntese e Vetorização de Moléculas, Department of Biological Sciences, State University of Paraíba, João Pessoa—PB, Brazil
                Montana State University Bozeman, UNITED STATES
                Author notes

                Competing Interests: The authors have declared that no competing interests exist.

                ‡ These authors also contributed equally to this work.

                Author information
                http://orcid.org/0000-0002-9026-1129
                http://orcid.org/0000-0001-9917-1755
                Article
                PONE-D-18-30692
                10.1371/journal.pone.0212451
                6383892
                30789930
                203b1f63-bf3b-468b-be8a-508a3dd0f5b3
                © 2019 Zeppelini et al

                This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

                History
                : 23 October 2018
                : 1 February 2019
                Page count
                Figures: 5, Tables: 2, Pages: 16
                Funding
                Funded by: Conselho Nacional de Desenvolvimento Científico e Tecnológico (BR)
                Award ID: 302673/2015-6
                Award Recipient :
                Funded by: Conselho Nacional de Desenvolvimento Científico e Tecnológico (BR)
                Award ID: 308590/2017-1
                Award Recipient :
                Funded by: Conselho Nacional de Desenvolvimento Científico e Tecnológico (BR)
                Award ID: 150451/2015-6
                Award Recipient :
                Funded by: Conselho Nacional de Desenvolvimento Científico e Tecnológico (BR)
                Award ID: 451149/2016-5
                Award Recipient :
                Funded by: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (BR)
                Award ID: 001
                Award Recipient :
                This work was supported by: D. Zeppelini, Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) PQ #302673/2015-6; Francisco J.B. Mendonça-Junior, Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) PQ #308590/2017-1; Gabriel C. Queiroz, Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)–PDJ #150451/2015-6 and #451149/2016-5, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) -Finance Code 001.
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