• Title/Summary/Keyword: isotopologue

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Evaluation of Recent Data Processing Strategies on Q-TOF LC/MS Based Untargeted Metabolomics

  • Kaplan, Ozan;Celebier, Mustafa
    • Mass Spectrometry Letters
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    • v.11 no.1
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    • pp.1-5
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    • 2020
  • In this study, some of the recently reported data processing strategies were evaluated and modified based on their capabilities and a brief workflow for data mining was redefined for Q-TOF LC-MS based untargeted metabolomics. Commercial pooled human plasma samples were used for this purpose. An ultrafiltration procedure was applied on sample preparation. Sample set was analyzed through Q-TOF LC/MS. A C18 column (Agilent Zorbax 1.8 µM, 50 × 2.1 mm) was used for chromatographic separation. Raw chromatograms were processed using XCMS - R programming language edition and Isotopologue Parameter Optimization (IPO) was used to optimize XCMS parameters. The raw XCMS table was processed using MS Excel to find reliable and reproducible peaks. Totally 1650 reliable and reproducible potential metabolite peaks were found based on the data processing procedures given in this paper. The redefined dataset was upload into MetaboAnalyst platform and the identified metabolites were matched with 86 metabolic pathways. Thus, two list were obtained and presented in this study as supplement files. The first list is to present the retention times and m/z values of detected metabolite peaks. The second list is the metabolic pathways related with the identified metabolites. The briefly described data processing strategies and dataset presented in this study could be beneficial for the researchers working on untargeted metabolomics for processing their data and validating their results.

Hydrogen Isotope Separation by using Zeolitic lmidazolate Frameworks (ZIF-11) (ZIF-11을 이용한 수소 동위원소 분리)

  • Lee, Seulji;Oh, Hyunchul
    • Korean Journal of Materials Research
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    • v.30 no.12
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    • pp.655-659
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    • 2020
  • Hydrogen isotopes (i.e. deuterium and tritium) are supplied to the tokamak in the International Thermonuclear Experimental Reactor (ITER) fuel cycle. One important part of the ITER fuel cycle is the recycling of unused fuel back to the tokamak, as almost 99 % of fuel is unburned during fusion reaction. For this, cryogenic distillation has been used in the isotope separation system (ISS) of ITER, but this technique tends to be energy-intensive and to have low selectivity (typically below 1.5 at 24 K). Recently, efficient isotope separation by porous materials has been reported in the so-called quantum sieving process. Hence, in this study, hydrogen isotope adsorption behavior is studied using chemically stable ZIF-11. At low temperature (40 K ~ 70 K), the adsorption increases and the sorption hysteresis becomes stronger as the temperature increases to 70K. Molar ratio of deuterium to hydrogen based on the isotherms shows the highest (max. 14) ratio at 50 K, confirming the possibility of use as a potential isotope separation material.

Investigation of Cryogenic Breakthrough Curve Measurement System at 77 K for Hydrogen Isotopologue Separation (수소 동위원소 분리를 위한 77 K 극저온 파과 곡선 측정 시스템 제작)

  • Kim, Suhwan;Oh, Hyunchul
    • Korean Journal of Materials Research
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    • v.32 no.1
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    • pp.36-43
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    • 2022
  • Breakthrough analysis has widely been explored for the dynamic separation of gaseous mixtures in porous materials. In general, breakthrough experiments measure the components of a flowing gas when a gaseous mixture is injected into a column filled with an adsorbent material. In this paper, we report on the design and fabrication of a breakthrough curve measurement device to study the dynamic adsorptive separation of hydrogen isotopologues in porous materials. Using the designed system, an experiment was conducted involving a 1:1 mixture of hydrogen and deuterium passed through a column filled with zeolite 13X (1 g). At room temperature, both hydrogen and deuterium were adsorbed in negligible amounts; however, at a temperature of 77 K, deuterium was preferentially adsorbed over hydrogen. The selectivity was different from that in the existing literature due to the different sample shapes, measurement methods, and column structures, but was at a similar level to that of cryogenic distillation (1.5).

High-resolution ALMA Study of the Proto-Brown-Dwarf Candidate L328-IRS

  • Lee, Chang Won;Kim, Gwanjeong;Myers, Philip C.;Saito, Masao;Kim, Shinyoung;Kwon, Woojin;Lyo, A-Ran;Soam, Archana;Kim, Mi-Ryang
    • The Bulletin of The Korean Astronomical Society
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    • v.43 no.2
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    • pp.39.1-39.1
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    • 2018
  • We present our observational attempts to precisely measure the central mass of a proto-brown dwarf candidate, L328-IRS, in order to investigate whether L328-IRS is in the substellar mass regime. Observations were made for the central region of L328-IRS with the dust continuum and CO isotopologue line emission at ALMA band 6, discovering the detailed outflow activities and a deconvolved disk structure of a size of ${\sim}87AU{\times}{\sim}37AU$. We investigated the rotational velocities as a function of the disk radius, finding that its motions between 130 AU and 60 AU are partially fitted with a Keplerian orbit by a stellar object of ${\sim}0.30M_{\odot}$, while the motions within 60 AU do not follow any Keplerian orbit at all. This makes it difficult to lead a reliable estimation of the mass of L328-IRS. Nonetheless, our ALMA observations were useful enough to well constrain the inclination angle of the outflow cavity of L328-IRS as ${\sim}66^{\circ}$ degree, enabling us to better determine the mass accretion rate of ${\sim}8.9{\times}10^{-7}M_{\odot}yr-1$.From assumptions that the internal luminosity of L328-IRS is mostly due to this mass accretion process in the disk, or that L328-IRS has mostly accumulated the mass through this constant accretion rate during its outflow activity, its mass was estimated to be ${\sim}0.012-0.023M_{\odot}$, suggesting L328-IRS to be a substellar object. However, we leave our identification of L328-IRS as a proto-brown dwarf to be tentative because of various uncertainties especially regarding the mass accretion rate.

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