The Experts below are selected from a list of 144 Experts worldwide ranked by ideXlab platform

Alan G. Marshall - One of the best experts on this subject based on the ideXlab platform.

  • Lithium Cationization for Petroleum Analysis by Positive Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
    Energy & Fuels, 2014
    Co-Authors: Vladislav V. Lobodin, Ryan P. Rodgers, Priyanka Juyal, Amy M. Mckenna, Alan G. Marshall
    Abstract:

    Lithium cationization can significantly extend the compositional range for Analysis of Petroleum components by positive electrospray ionization [(+) ESI], by accessing species that lack a basic nitrogen atom and, hence, are not seen by conventional (+) ESI that relies on protonation as the primary ionization mechanism. Here, various solvent compositions and lithium salts enabled us to optimize ionization by formation of lithium adducts ([M + Li]+), and the results are compared to production of [M + H]+ by conventional (+) ESI with formic acid. Lithium cationization (+) ESI Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) of Athabasca bitumen heavy vacuum gas oil (475–500 °C) and North and South American crude oils demonstrates considerable improvement over protonation for production of ions from compounds belonging to SxOy (SO, SO2, SO3, SO4, S2O, S2O2, etc.) heteroatom classes. Those compounds exhibit much higher affinity for lithium cation than for proton and yield abundant [M + L...

  • Microchip atmospheric pressure photoionization for Analysis of Petroleum by Fourier transform ion cyclotron resonance mass spectrometry.
    Analytical chemistry, 2009
    Co-Authors: Markus Haapala, Ryan P. Rodgers, Christopher L. Hendrickson, Alan G. Marshall, Jeremiah M. Purcell, Ville Saarela, Sami Franssila, Tapio Kotiaho, Risto Kostiainen
    Abstract:

    Atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has significantly contributed to the molecular speciation of Petroleum. However, a typical APPI source operates at 50 μL/min flow rate and thus causes a considerable mass load to the mass spectrometer. The recently introduced microchip APPI (μAPPI) operates at much lower flow rates (0.05−10 μL/min) providing decreased mass load and therefore decreased contamination in Analysis of Petroleum by FT-ICR MS. In spite of the 25 times lower flow rate, the signal response with μAPPI was only 40% lower than with a conventional APPI source. It was also shown that μAPPI provides very efficient vaporization of higher molecular weight components in Petroleum Analysis.

  • Automated electrospray ionization FT-ICR mass spectrometry for Petroleum Analysis
    Journal of the American Society for Mass Spectrometry, 2009
    Co-Authors: Sunghwan Kim, Ryan P. Rodgers, Greg T. Blakney, Christopher L. Hendrickson, Alan G. Marshall
    Abstract:

    Analysis of Petroleum samples at the molecular level by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) typically requires a prolonged accumulation of ions and/or summing up a large number of scans. Here, a chip-based micro-ESI system (Advion NanoMate, Ithaca, NY) has been successfully automated in combination with FT-ICR MS Analysis of Petroleum samples. A foil-sealed 96-well glass plate prevents solvent evaporation, with no visible loss of sample after 20 h of continuous operation. Mass spectra obtained from the same sample but taken from different wells after various time delays were very similar. Data from replicate samples in different wells could be combined to enhance mass spectral signal-to-noise ratio and dynamic range. Furthermore, the automated data acquisition eliminates sample carryover, and produces heteroatom class distribution, double-bond equivalents (DBE), and carbon number very similar to those from the conventional (manual) micro-ESI experiments.

Paulo R. Filgueiras - One of the best experts on this subject based on the ideXlab platform.

  • Estimating the intermediate precision in Petroleum Analysis by (±)electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.
    Rapid Communications in Mass Spectrometry, 2020
    Co-Authors: Gabriely S. Folli, Lindamara M. Souza, Bruno Q. Araújo, Wanderson Romão, Paulo R. Filgueiras
    Abstract:

    RATIONALE Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) is an important analytical technique used for the elucidation of crude oil polar compounds at the molecular level, providing thousands of heteroatom compounds in a single Analysis. Due to the high resolution, the complexity of data produced, and steps involved in spectra acquisition and processing, it is necessary to estimate its intermediate precision. METHODS Intermediate precision was estimated for positive- and negative-ion ionization modes (ESI(±)) using Composer® software for two Brazilian crude oil samples. The analytical parameters evaluated were the class distribution histogram, the double bond equivalent (DBE) distribution, and the DBE versus carbon number. The statistical parameters used to study the intermediate precision were calculated from the average, standard deviation, confidence interval (significance level at 5%), coefficient of variation (CV), intermediate precision limit (ISO 5725), and principal component Analysis (PCA). RESULTS Two crude oil samples (A and B) were analyzed, in triplicate, for seven consecutive days by ESI(±) FT-ICR MS. The assigned class limit by ESI(+) for crude oil A was 0.42% (O2 S[H] class) and for crude oil B was 0.04% (N2 O2 S[H] class). The assigned DBE intensity limits for the two crude oils were 0.04% for ESI(+) and 0.013% for ESI(-). The PCA for ESI(-) and ESI(+) modes presented better precision for crude oils B and A, respectively. CONCLUSIONS The most abundant classes and DBE of the majority class (i.e., with the highest intensity) are the parameters produced from the Composer® software that had the highest precision and can be used to estimate crude oil properties. The DBE values presented lower intermediate precision limit values (0.04%) than the assigned class values (0.4%). According to CV and PCA, ESI(+) was more precise for crude oil A (83% precision) and ESI(-) for crude oil B (84% precision).

  • Estimating the intermediate precision in Petroleum Analysis by (±)electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.
    Rapid communications in mass spectrometry : RCM, 2020
    Co-Authors: Gabriely S. Folli, Lindamara M. Souza, Bruno Q. Araújo, Wanderson Romão, Paulo R. Filgueiras
    Abstract:

    Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) is an important analytical technique used for the elucidation of crude oil polar compounds at the molecular level, providing thousands of heteroatom compounds in a single Analysis. Due to the high resolution, the complexity of data produced, and steps involved in spectra acquisition and processing, it is necessary to estimate its intermediate precision. Intermediate precision was estimated for positive- and negative-ion ionization modes (ESI(±)) using Composer® software for two Brazilian crude oil samples. The analytical parameters evaluated were the class distribution histogram, the double bond equivalent (DBE) distribution, and the DBE versus carbon number. The statistical parameters used to study the intermediate precision were calculated from the average, standard deviation, confidence interval (significance level at 5%), coefficient of variation (CV), intermediate precision limit (ISO 5725), and principal component Analysis (PCA). Two crude oil samples (A and B) were analyzed, in triplicate, for seven consecutive days by ESI(±) FT-ICR MS. The assigned class limit by ESI(+) for crude oil A was 0.42% (O2 S[H] class) and for crude oil B was 0.04% (N2 O2 S[H] class). The assigned DBE intensity limits for the two crude oils were 0.04% for ESI(+) and 0.013% for ESI(-). The PCA for ESI(-) and ESI(+) modes presented better precision for crude oils B and A, respectively. The most abundant classes and DBE of the majority class (i.e., with the highest intensity) are the parameters produced from the Composer® software that had the highest precision and can be used to estimate crude oil properties. The DBE values presented lower intermediate precision limit values (0.04%) than the assigned class values (0.4%). According to CV and PCA, ESI(+) was more precise for crude oil A (83% precision) and ESI(-) for crude oil B (84% precision). © 2020 John Wiley & Sons, Ltd.

Gabriely S. Folli - One of the best experts on this subject based on the ideXlab platform.

  • Estimating the intermediate precision in Petroleum Analysis by (±)electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.
    Rapid Communications in Mass Spectrometry, 2020
    Co-Authors: Gabriely S. Folli, Lindamara M. Souza, Bruno Q. Araújo, Wanderson Romão, Paulo R. Filgueiras
    Abstract:

    RATIONALE Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) is an important analytical technique used for the elucidation of crude oil polar compounds at the molecular level, providing thousands of heteroatom compounds in a single Analysis. Due to the high resolution, the complexity of data produced, and steps involved in spectra acquisition and processing, it is necessary to estimate its intermediate precision. METHODS Intermediate precision was estimated for positive- and negative-ion ionization modes (ESI(±)) using Composer® software for two Brazilian crude oil samples. The analytical parameters evaluated were the class distribution histogram, the double bond equivalent (DBE) distribution, and the DBE versus carbon number. The statistical parameters used to study the intermediate precision were calculated from the average, standard deviation, confidence interval (significance level at 5%), coefficient of variation (CV), intermediate precision limit (ISO 5725), and principal component Analysis (PCA). RESULTS Two crude oil samples (A and B) were analyzed, in triplicate, for seven consecutive days by ESI(±) FT-ICR MS. The assigned class limit by ESI(+) for crude oil A was 0.42% (O2 S[H] class) and for crude oil B was 0.04% (N2 O2 S[H] class). The assigned DBE intensity limits for the two crude oils were 0.04% for ESI(+) and 0.013% for ESI(-). The PCA for ESI(-) and ESI(+) modes presented better precision for crude oils B and A, respectively. CONCLUSIONS The most abundant classes and DBE of the majority class (i.e., with the highest intensity) are the parameters produced from the Composer® software that had the highest precision and can be used to estimate crude oil properties. The DBE values presented lower intermediate precision limit values (0.04%) than the assigned class values (0.4%). According to CV and PCA, ESI(+) was more precise for crude oil A (83% precision) and ESI(-) for crude oil B (84% precision).

  • Estimating the intermediate precision in Petroleum Analysis by (±)electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.
    Rapid communications in mass spectrometry : RCM, 2020
    Co-Authors: Gabriely S. Folli, Lindamara M. Souza, Bruno Q. Araújo, Wanderson Romão, Paulo R. Filgueiras
    Abstract:

    Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) is an important analytical technique used for the elucidation of crude oil polar compounds at the molecular level, providing thousands of heteroatom compounds in a single Analysis. Due to the high resolution, the complexity of data produced, and steps involved in spectra acquisition and processing, it is necessary to estimate its intermediate precision. Intermediate precision was estimated for positive- and negative-ion ionization modes (ESI(±)) using Composer® software for two Brazilian crude oil samples. The analytical parameters evaluated were the class distribution histogram, the double bond equivalent (DBE) distribution, and the DBE versus carbon number. The statistical parameters used to study the intermediate precision were calculated from the average, standard deviation, confidence interval (significance level at 5%), coefficient of variation (CV), intermediate precision limit (ISO 5725), and principal component Analysis (PCA). Two crude oil samples (A and B) were analyzed, in triplicate, for seven consecutive days by ESI(±) FT-ICR MS. The assigned class limit by ESI(+) for crude oil A was 0.42% (O2 S[H] class) and for crude oil B was 0.04% (N2 O2 S[H] class). The assigned DBE intensity limits for the two crude oils were 0.04% for ESI(+) and 0.013% for ESI(-). The PCA for ESI(-) and ESI(+) modes presented better precision for crude oils B and A, respectively. The most abundant classes and DBE of the majority class (i.e., with the highest intensity) are the parameters produced from the Composer® software that had the highest precision and can be used to estimate crude oil properties. The DBE values presented lower intermediate precision limit values (0.04%) than the assigned class values (0.4%). According to CV and PCA, ESI(+) was more precise for crude oil A (83% precision) and ESI(-) for crude oil B (84% precision). © 2020 John Wiley & Sons, Ltd.

Ryan P. Rodgers - One of the best experts on this subject based on the ideXlab platform.

  • Lithium Cationization for Petroleum Analysis by Positive Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
    Energy & Fuels, 2014
    Co-Authors: Vladislav V. Lobodin, Ryan P. Rodgers, Priyanka Juyal, Amy M. Mckenna, Alan G. Marshall
    Abstract:

    Lithium cationization can significantly extend the compositional range for Analysis of Petroleum components by positive electrospray ionization [(+) ESI], by accessing species that lack a basic nitrogen atom and, hence, are not seen by conventional (+) ESI that relies on protonation as the primary ionization mechanism. Here, various solvent compositions and lithium salts enabled us to optimize ionization by formation of lithium adducts ([M + Li]+), and the results are compared to production of [M + H]+ by conventional (+) ESI with formic acid. Lithium cationization (+) ESI Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) of Athabasca bitumen heavy vacuum gas oil (475–500 °C) and North and South American crude oils demonstrates considerable improvement over protonation for production of ions from compounds belonging to SxOy (SO, SO2, SO3, SO4, S2O, S2O2, etc.) heteroatom classes. Those compounds exhibit much higher affinity for lithium cation than for proton and yield abundant [M + L...

  • Microchip atmospheric pressure photoionization for Analysis of Petroleum by Fourier transform ion cyclotron resonance mass spectrometry.
    Analytical chemistry, 2009
    Co-Authors: Markus Haapala, Ryan P. Rodgers, Christopher L. Hendrickson, Alan G. Marshall, Jeremiah M. Purcell, Ville Saarela, Sami Franssila, Tapio Kotiaho, Risto Kostiainen
    Abstract:

    Atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has significantly contributed to the molecular speciation of Petroleum. However, a typical APPI source operates at 50 μL/min flow rate and thus causes a considerable mass load to the mass spectrometer. The recently introduced microchip APPI (μAPPI) operates at much lower flow rates (0.05−10 μL/min) providing decreased mass load and therefore decreased contamination in Analysis of Petroleum by FT-ICR MS. In spite of the 25 times lower flow rate, the signal response with μAPPI was only 40% lower than with a conventional APPI source. It was also shown that μAPPI provides very efficient vaporization of higher molecular weight components in Petroleum Analysis.

  • Automated electrospray ionization FT-ICR mass spectrometry for Petroleum Analysis
    Journal of the American Society for Mass Spectrometry, 2009
    Co-Authors: Sunghwan Kim, Ryan P. Rodgers, Greg T. Blakney, Christopher L. Hendrickson, Alan G. Marshall
    Abstract:

    Analysis of Petroleum samples at the molecular level by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) typically requires a prolonged accumulation of ions and/or summing up a large number of scans. Here, a chip-based micro-ESI system (Advion NanoMate, Ithaca, NY) has been successfully automated in combination with FT-ICR MS Analysis of Petroleum samples. A foil-sealed 96-well glass plate prevents solvent evaporation, with no visible loss of sample after 20 h of continuous operation. Mass spectra obtained from the same sample but taken from different wells after various time delays were very similar. Data from replicate samples in different wells could be combined to enhance mass spectral signal-to-noise ratio and dynamic range. Furthermore, the automated data acquisition eliminates sample carryover, and produces heteroatom class distribution, double-bond equivalents (DBE), and carbon number very similar to those from the conventional (manual) micro-ESI experiments.

Wanderson Romão - One of the best experts on this subject based on the ideXlab platform.

  • Estimating the intermediate precision in Petroleum Analysis by (±)electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.
    Rapid Communications in Mass Spectrometry, 2020
    Co-Authors: Gabriely S. Folli, Lindamara M. Souza, Bruno Q. Araújo, Wanderson Romão, Paulo R. Filgueiras
    Abstract:

    RATIONALE Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) is an important analytical technique used for the elucidation of crude oil polar compounds at the molecular level, providing thousands of heteroatom compounds in a single Analysis. Due to the high resolution, the complexity of data produced, and steps involved in spectra acquisition and processing, it is necessary to estimate its intermediate precision. METHODS Intermediate precision was estimated for positive- and negative-ion ionization modes (ESI(±)) using Composer® software for two Brazilian crude oil samples. The analytical parameters evaluated were the class distribution histogram, the double bond equivalent (DBE) distribution, and the DBE versus carbon number. The statistical parameters used to study the intermediate precision were calculated from the average, standard deviation, confidence interval (significance level at 5%), coefficient of variation (CV), intermediate precision limit (ISO 5725), and principal component Analysis (PCA). RESULTS Two crude oil samples (A and B) were analyzed, in triplicate, for seven consecutive days by ESI(±) FT-ICR MS. The assigned class limit by ESI(+) for crude oil A was 0.42% (O2 S[H] class) and for crude oil B was 0.04% (N2 O2 S[H] class). The assigned DBE intensity limits for the two crude oils were 0.04% for ESI(+) and 0.013% for ESI(-). The PCA for ESI(-) and ESI(+) modes presented better precision for crude oils B and A, respectively. CONCLUSIONS The most abundant classes and DBE of the majority class (i.e., with the highest intensity) are the parameters produced from the Composer® software that had the highest precision and can be used to estimate crude oil properties. The DBE values presented lower intermediate precision limit values (0.04%) than the assigned class values (0.4%). According to CV and PCA, ESI(+) was more precise for crude oil A (83% precision) and ESI(-) for crude oil B (84% precision).

  • Estimating the intermediate precision in Petroleum Analysis by (±)electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.
    Rapid communications in mass spectrometry : RCM, 2020
    Co-Authors: Gabriely S. Folli, Lindamara M. Souza, Bruno Q. Araújo, Wanderson Romão, Paulo R. Filgueiras
    Abstract:

    Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) is an important analytical technique used for the elucidation of crude oil polar compounds at the molecular level, providing thousands of heteroatom compounds in a single Analysis. Due to the high resolution, the complexity of data produced, and steps involved in spectra acquisition and processing, it is necessary to estimate its intermediate precision. Intermediate precision was estimated for positive- and negative-ion ionization modes (ESI(±)) using Composer® software for two Brazilian crude oil samples. The analytical parameters evaluated were the class distribution histogram, the double bond equivalent (DBE) distribution, and the DBE versus carbon number. The statistical parameters used to study the intermediate precision were calculated from the average, standard deviation, confidence interval (significance level at 5%), coefficient of variation (CV), intermediate precision limit (ISO 5725), and principal component Analysis (PCA). Two crude oil samples (A and B) were analyzed, in triplicate, for seven consecutive days by ESI(±) FT-ICR MS. The assigned class limit by ESI(+) for crude oil A was 0.42% (O2 S[H] class) and for crude oil B was 0.04% (N2 O2 S[H] class). The assigned DBE intensity limits for the two crude oils were 0.04% for ESI(+) and 0.013% for ESI(-). The PCA for ESI(-) and ESI(+) modes presented better precision for crude oils B and A, respectively. The most abundant classes and DBE of the majority class (i.e., with the highest intensity) are the parameters produced from the Composer® software that had the highest precision and can be used to estimate crude oil properties. The DBE values presented lower intermediate precision limit values (0.04%) than the assigned class values (0.4%). According to CV and PCA, ESI(+) was more precise for crude oil A (83% precision) and ESI(-) for crude oil B (84% precision). © 2020 John Wiley & Sons, Ltd.