Matching Mass Spectral Profiles of Biomarkers

2013 ◽  
pp. 39-60
Author(s):  
Michael Stanford
Keyword(s):  
Mass Spectral ◽  
Spectral Profiles

scholarly journals Mass spectral characterization of primary emissions and implications in source apportionment of organic aerosol

2020 ◽  
Vol 13 (6) ◽  
pp. 3205-3219 ◽  
Author(s):  
Weiqi Xu ◽  
Yao He ◽  
Yanmei Qiu ◽  
Chun Chen ◽  
Conghui Xie ◽  
...  
Keyword(s):  
Source Apportionment ◽  
Spectral Characteristics ◽  
Organic Aerosol ◽  
Water Soluble ◽  
Spectral Characterization ◽  
Rural Site ◽  
Spectral Features ◽  
Mass Spectral ◽  
Spectral Profiles ◽  
Primary Emissions

Abstract. Source apportionment of organic aerosol (OA) from aerosol mass spectrometer (AMS) or aerosol chemical speciation monitor (ACSM) measurements relies largely upon mass spectral profiles from different source emissions. However, the changes in mass spectra of primary emissions from AMS–ACSM with the newly developed capture vaporizer (CV) are poorly understood. Here we conducted 21 cooking, crop straw, wood, and coal burning experiments to characterize the mass spectral features of OA and water-soluble OA (WSOA) using SV-AMS and CV-ACSM. Our results show overall similar spectral characteristics between SV-AMS and CV-ACSM for different primary emissions despite additional thermal decomposition in CV, and the previous spectral features for diagnostics of primary OA factors are generally well retained. However, the mass spectral differences between OA and WSOA can be substantial for both SV-AMS and CV-ACSM. The changes in f55 (fraction of m∕z 55 in OA) vs. f57, f44 vs. f60, and f44 vs. f43 in CV-ACSM are also observed, yet the evolving trends are similar to those of SV-AMS. By applying the source spectral profiles to a winter CV-ACSM study at a highly polluted rural site in the North China Plain, the source apportionment of primary OA was much improved, highlighting the two most important primary sources of biomass burning and coal combustion (32 % and 21 %). Considering the rapidly increasing deployments of CV-ACSM and WSOA studies worldwide, the mass spectral characterization has significant implications by providing essential constraints for more accurate source apportionment and making better strategies for air pollution control in regions with diverse primary emissions.

Alignment of DNA Mass-Spectral Profiles Using Network Flows

2013 ◽  
pp. 149-160
Author(s):  
Pavel Skums ◽  
Olga Glebova ◽  
Alex Zelikovsky ◽  
Zoya Dimitrova ◽  
David Stiven Campo Rendon ◽  
...  
Keyword(s):  
Network Flows ◽  
Mass Spectral ◽  
Spectral Profiles

Pretreatment of Mass Spectral Profiles:  Application to Proteomic Data

2007 ◽  
Vol 79 (18) ◽  
pp. 7014-7026 ◽  
Author(s):  
Reidar Arneberg ◽  
Tarja Rajalahti ◽  
Kristian Flikka ◽  
Frode S. Berven ◽  
Ann C. Kroksveen ◽  
...  
Keyword(s):  
Mass Spectral ◽  
Proteomic Data ◽  
Spectral Profiles

scholarly journals Cyclohexane Carboxylate and Benzoate Formation from Crotonate in Syntrophus aciditrophicus

2006 ◽  
Vol 73 (3) ◽  
pp. 930-938 ◽  
Author(s):  
Housna Mouttaki ◽  
Mark A. Nanny ◽  
Michael J. McInerney
Keyword(s):  
Sodium Bicarbonate ◽  
Pure Culture ◽  
Carbon Skeleton ◽  
Mass Unit ◽  
Mass Spectral ◽  
Cyclohexane Carboxylate ◽  
Spectral Profiles ◽  
Syntrophus Aciditrophicus ◽  
Derivatives Of ◽  
Tms Derivatives

ABSTRACT The anaerobic, syntrophic bacterium Syntrophus aciditrophicus grown in pure culture produced 1.4 � 0.24 mol of acetate and 0.16 � 0.02 mol of cyclohexane carboxylate per mole of crotonate metabolized. [U-13C]crotonate was metabolized to [1,2-13C]acetate and [1,2,3,4,5,7-13C]cyclohexane carboxylate. Cultures grown with unlabeled crotonate and [13C]sodium bicarbonate formed [6-13C]cyclohexane carboxylate. Trimethylsilyl (TMS) derivatives of cyclohexane carboxylate, cyclohex-1-ene carboxylate, benzoate, pimelate, glutarate, 3-hydroxybutyrate, and acetoacetate were detected as intermediates by comparison of retention times and mass spectral profiles to authentic standards. With [U-13C]crotonate, the m/z-15 ion of TMS-derivatized glutarate, 3-hydroxybutyrate, and acetoacetate each increased by +4 mass units, and the m/z-15 ion of TMS-derivatized pimelate, cyclohex-1-ene carboxylate, benzoate, and cyclohexane carboxylate each increased by +6 mass units. With [13C]sodium bicarbonate and unlabeled crotonate, the m/z-15 ion of TMS derivatives of glutarate, pimelate, cyclohex-1-ene carboxylate, benzoate, and cyclohexane carboxylate each increased by +1 mass unit, suggesting that carboxylation occurred after the synthesis of a four-carbon intermediate. With [1,2-13C]acetate and unlabeled crotonate, the m/z-15 ion of TMS-derivatized 3-hydroxybutyrate, acetoacetate, and glutarate each increased by +0, +2, and +4 mass units, respectively, and the m/z-15 ion of TMS-derivatized pimelate, cyclohex-1-ene carboxylate, benzoate, cyclohexane carboxylate, and 2-hydroxycyclohexane carboxylate each increased by +0, +2, +4, and +6 mass units. The data are consistent with a pathway for cyclohexane carboxylate formation involving the condensation of two-carbon units derived from crotonate degradation with CO2 addition, rather than the use of the intact four-carbon skeleton of crotonate.

Biomarker discovery in mass spectral profiles by means of selectivity ratio plot

2009 ◽  
Vol 95 (1) ◽  
pp. 35-48 ◽  
Author(s):  
Tarja Rajalahti ◽  
Reidar Arneberg ◽  
Frode S. Berven ◽  
Kjell-Morten Myhr ◽  
Rune J. Ulvik ◽  
...  
Keyword(s):  
Biomarker Discovery ◽  
Selectivity Ratio ◽  
Mass Spectral ◽  
Spectral Profiles

scholarly journals Gas Chromatography-Mass Spectrometry Profiles of Ten Pilea Species (Urticaceae)

2016 ◽  
Vol 20 (2) ◽  
pp. 10
Author(s):  
José Hipólito Isaza Martínez ◽  
Ana Julia Colmenares ◽  
Victor Manuel Pineda Orozco ◽  
Ana Isabel Vásquez V.
Keyword(s):  
Gas Chromatography ◽  
Field Trips ◽  
Ethyl Esters ◽  
Gas Chromatography Mass Spectrometry ◽  
Methyl Ethyl ◽  
Mass Spectral ◽  
Large Size ◽  
Spectral Profiles ◽  
Valle Del Cauca ◽  
Made In

The genus Pilea Lindley is the largest among the Urticaceae family. The large size and little commercial interest of this genus make difficult its taxonomy, with few revisions since Weddell.Very few revisions have been reported about the Colombian species since 1939, when Killip made a contribution to the genus for the northern Andes (Ecuador, Peru, Colombia, and Venezuela). To contribute to the knowledge of the Pilea genus in Colombia, field trips were made in the department of Valle del Cauca and ten herbarium samples were analyzed using gas chromatography-mass spectral profiles analysis; which allowed us to identify 33 compounds type monoterpene, sesquiterpene,diterpene, free fatty acids or their methyl, ethyl esters or amides, and triterpenes. It was concluded that Triterpenes were the best chemotaxonomical discriminants for the ten herbarium samples as ten species.

Biomarker discovery from mass spectral profiles: A combined proteomics and multivariate analysis

2008 ◽  
Vol 34 (1) ◽  
pp. S27
Author(s):  
Tarja Rajalahti ◽  
R. Arneberg ◽  
F.S. Berven ◽  
A.C. Kroksveen ◽  
M. Berle ◽  
...  
Keyword(s):  
Multivariate Analysis ◽  
Biomarker Discovery ◽  
Mass Spectral ◽  
Spectral Profiles

scholarly journals Rapid and robust identification of clinical isolates of Talaromyces marneffei based on MALDI-TOF mass spectrometry or dimorphism in Galleria mellonella

2019 ◽  
Vol 57 (8) ◽  
pp. 969-975 ◽  
Author(s):  
Andrew M Borman ◽  
Mark Fraser ◽  
Adrien Szekely ◽  
Elizabeth M Johnson
Keyword(s):  
Mass Spectrometry ◽  
Fission Yeast ◽  
Galleria Mellonella ◽  
Post Inoculation ◽  
Yeast Form ◽  
Mass Spectral ◽  
Maldi Tof Mass Spectrometry ◽  
Talaromyces Marneffei ◽  
Maldi Tof ◽  
Spectral Profiles

AbstractTalaromyces marneffei is a thermally dimorphic fungal pathogen that causes serious infections particularly in patients with human immunodeficiency virus (HIV). Although the mould form typically produces a characteristic red-diffusing pigment, and conidia from penicillate heads, several nonpathogenic Talaromyces/Penicillium species are morphologically and phenotypically similar. While those other species do not exhibit thermal dimorphism, conversion of T. marneffei to the distinctive fission yeast form in vitro is arduous and frequently incomplete. Here we show that T. marneffei can be rapidly and unambiguously discriminated from related nonpathogenic Talaromyces/Penicillium spp., either by matrix-assisted laser desorption ionisation time-of-flight (MALDI-TOF) mass spectrometry or conversion to fission yeast after introduction into Galleria mellonella. Conversion of T. marneffei conidia to the fission yeast form in G. mellonella larvae occurred as early as 24 h post inoculation at 37oC. Identification by MALDI-TOF was possible after supplementation of the commercial Bruker database with in-house mass spectral profiles created from either the yeast or mycelial phase of T. marneffei. In addition, we show that in-house generated mass spectral profiles could be successfully used to identify T. marneffei with a recently published on-line MALDI-TOF database, circumventing the need to create extensive in-house additional databases for rarely encountered fungal pathogens.

scholarly journals Mass Spectral Characterization of Primary Emissions and Implications in Source Apportionment of Organic Aerosol

2020 ◽  
Author(s):  
Weiqi Xu ◽  
Yao He ◽  
Yanmei Qiu ◽  
Chun Chen ◽  
Conghui Xie ◽  
...  
Keyword(s):  
Source Apportionment ◽  
Spectral Characteristics ◽  
Organic Aerosol ◽  
Water Soluble ◽  
Spectral Characterization ◽  
Rural Site ◽  
Spectral Features ◽  
Mass Spectral ◽  
Spectral Profiles ◽  
Primary Emissions

Abstract. Source apportionment of organic aerosol (OA) from aerosol mass spectrometer (AMS) or aerosol chemical speciation monitor (ACSM) measurements relies largely upon mass spectral profiles from different source emissions. However, the changes in mass spectra of primary emissions from AMS/ACSM with the newly developed capture vaporizer (CV) are poorly understood. Here we conducted 21 cooking, crop straw, wood, and coal burning experiments to characterize the mass spectral features of OA and water-soluble OA (WSOA) using SV-AMS and CV-ACSM. Our results show overall similar spectral characteristics between SV-AMS and CV-ACSM for different primary emissions despite additional thermal decomposition in CV, and the previous spectral features for diagnostic of primary OA factors are generally well retained. However, the mass spectral differences between OA and WSOA can be substantial for both SV-AMS and CV-ACSM. The changes in f55 (fraction of m/z 55 in OA) vs. f57, f44 vs. f60, f44 vs. f43 in CV-ACSM are also observed, yet the evolving trends are similar to those of SV-AMS. By applying the source spectral profiles to a winter CV-ACSM study at a highly polluted rural site in North China Plain, the source apportionment of primary OA was much improved highlighting the two most important primary sources of biomass burning and coal combustion (32 % and 21 %). Considering the rapidly increasing deployments of CV-ACSM and WSOA studies worldwide, the mass spectral characterization has significant implications by providing essential constrains for more accurate source apportionment, and making better strategies for air pollution control in regions with diverse primary emissions.

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