• Journal of Microbiology and Biotechnology
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• 제21권4호
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• pp.421-429
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• 2011

For precise identification of a Lactobacillus K1 isolate, LC-MS/MS analysis of the putative surface layer protein was performed. The results obtained from LTQ-FT-ICR mass spectrometry confirmed that the analyzed protein spot is the surface layer protein originating from Lb. helveticus species. Moreover, the identified protein has the highest similarity with the surface layer protein from Lb. helveticus R0052. To evaluate the proteomic study, multilocus sequence analysis of selected housekeeping gene sequences was performed. Combination of 16S rRNA sequencing with partial sequences for the genes encoding the RNA polymerase alpha subunit (rpoA), phenylalanyl-tRNA synthase alpha subunit (pheS), translational elongation factor Tu (tuf), and Hsp60 chaperonins (groEL) also allowed to classify the analyzed isolate as Lb. helveticus. Further classification at the strain level was achieved by sequencing of the slp gene. This gene showed 99.8% identity with the corresponding slp gene of Lb. helveticus R0052, which is in good agreement with data obtained by nano-HPLC coupled to an LTQ-FT-ICR mass spectrometer. Finally, LC-MS/MS analysis of surface layer proteins extracted from three other Lactobacillus strains proved that the proposed method is the appropriate molecular tool for the identification of S-layer-possessing lactobacilli at the species and even strain levels.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2005년도 창립60주년 기념 추계 학술대회
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• pp.29.1-29.1
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• 2005

• Bulletin of the Korean Chemical Society
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• 제35권1호
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• pp.165-172
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• 2014

The distribution of basic nitrogen-containing compounds in three vacuum gas oils (VGOs) with different boiling ranges and their dewaxed oils from the lube base oil refining unit of a refinery were characterized by positive-ion electrospray ionization (ESI) Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). It turned out that the composition of basic nitrogen compounds in the samples varied significantly in DBE and carbon number, and the dominant basic N-containing compounds in these oil samples were N1 class species. $N_1O_1$, $N_1O_2$, and $N_2$ class species with much lower relative abundance were also identified. The composition of basic nitrogen compounds in VGOs and dewaxed VGOs were correlated with increased boiling point and varied in DBE and carbon numbers. The comparison of the analytical results between VGOs and dewaxed VGOs indicated that more basic N-containing compounds in VGO with low carbon number and small molecular weight tend to be removed by solvent refining in lube base oil processing.

• Mass Spectrometry Letters
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• 제9권4호
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• pp.91-94
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• 2018

Bilin tetrapyrroles are metabolic products of the breakdown of porphyrins within a species. In the case of mammals, these bilins are formed by the catabolism of heme and can be utilized as either biomarkers in disease or as an indicator of human waste contamination. Although a small subset of bilin tandem mass spectrometry reports exist, limited data is available in online databases for their fragmentation. The use of fragmentation data is important for metabolomics analyses to determine the identity of compounds detected within a sample. Therefore, in this study, the fragmentation of bilins generated by positive ion mode electrospray ionization is examined by collision-induced dissociation (CID) as a function of collision energy on an FT-ICR MS. The use of the FT-ICR MS allows for high mass accuracy measurements, and thus the formulas of resultant product ions can be ascertained. Based on our observations, fragmentation behavior for hemin, biliverdin and its dimethyl ester, phycocyanobilin, bilirubin, bilirubin conjugate, mesobilirubin, urobilin, and stercobilin are discussed in the context of the molecular structure and collision energy. This report provides insight into the identification of structures within this class of molecules for untargeted analyses.

• Mass Spectrometry Letters
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• 제2권2호
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• pp.49-52
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• 2011

Competitive binding of $C_{60}$ and $C_{70}$ to meso-substituted porphyrins was studied by mass spectrometry (MS). Electrospray ionization MS was employed to acquire the mass spectra of 1 : 1 porphyrin-fullerene complexes formed in a mixture of mesosubstituted porphyrin and fullerite to determine the ratio of complexes between $C_{60}$ and $C_{70}$. Matrix-free laser desorption ionization MS was used to obtain the mass spectra of fullerite to measure the mole fraction of $C_{60}$ and $C_{70}$. The binding constant ratio ($K_{70}$/$K_{60}$) was determined from the mass spectral data. The difference in standard Gibbs free energy change, ${\Delta}({\Delta}G^o)_{70-60}$, for the competitive binding of $C_{60}$ and $C_{70}$ was calculated from $K_{70}$/$K_{60}$. Of the five porphyrins, tetraphenyl, tetra(4-pyridyl), tetra(4-carboxyphenyl), tetra(3,5-di-tert-butylphenyl), and tetra(pentafluorophenyl) porphyrins, the first three non-bulky porphyrins yield negative values of ${\Delta}({\Delta}G^o)_{70-60}$, whereas the other two bulky porphyrins result in positive values of ${\Delta}({\Delta}G^o)_{70-60}$. This result indicates that $C_{70}$ binding to porphyrin is thermodynamically favored over $C_{60}$ binding in non-bulky porphyrins, but disfavored in bulky ones. It also suggests that the binding mode of $C_{70}$is different between non-bulky and bulky porphyrins, which is in line with previous experimental findings of the "side-on" binding to non-bulky porphyrins and the $C_{60}$-like "end-on" binding to bulky porphyrins.

• Mass Spectrometry Letters
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• 제12권4호
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• pp.126-130
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• 2021

The mass spectrometry (MS) provides the mass-to-charge ratios of atoms, molecules, stable/metastable complexes, and their fragments. I have taken a long journey with MS to address outstanding issues and problems by experiments and theory and gain insights into underlying principles in chemistry. By looking through the mass-to-charge ratio, I have studied thermochemical problems in silicon chemistry, the infrared multiphoton dissociation spectroscopy of organometallic intermediates, unimolecular dissociations of halotoluene radical cations, and the kinetics of association/dissociation of alkali halide triple ions with Lewis bases. Various MS platforms have been used to characterize non-covalent interactions between porphyrins and fullerenes and those between the group IIB ions and trioctylchalcogenides, and to examine the binding of the group IA, IIA and porphyrin ions to G-quadruplex DNA. Recently, I have focused on mass-balanced H/D isotope dipeptide tags for MS-based quantitative proteomics, a simple chemical modification method for MS-based lipase assay, and the kinetics and dynamics of energy-variable collision-induced dissociation of chemically modified peptides. Now, I see an important role of MS in global issues in the post-COVID era, as the society demands high standards for indoor air quality to contain the airborne-pathogen transmission as well as in-situ monitoring and tracking of carbon emissions to reduce global warming.

• Membrane and Water Treatment
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• 제11권4호
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• pp.257-274
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• 2020

There are many previous review articles are available to summarize either the characterization methods of effluent organic matter (EfOM) or the individual control treatment options. However, there has been no attempt made to compare in parallel the physicochemical treatment options that target the removal of EfOM from biological treatments. This review deals with the recent progress on the characterization of EfOM and the novel technologies developed for EfOM treatment. Based on the publications after 2010, the advantages and the limitations of several popularly used analytical tools are discussed for EfOM characterization, which include UV-visible and fluorescence spectroscopy, Fourier transform infrared spectroscopy (FTIR), size exclusion chromatography (SEC), and Fourier transform-ion cyclotron resonance-mass spectrometry (FT-ICR-MS). It is a recent trend to combine an SEC system with various types of detectors, because it can successfully track the chemical/functional composition of EfOM, which varies across a continuum of different molecular sizes. FT-ICR-MS is the most powerful tool to detect EfOM at molecular levels. However, it is noted that this method has rarely been utilized to understand the changes of EfOM in pre-treatment or post-treatment systems. Although membrane filtration is still the preferred method to treat EfOM before its discharge due to its high separation selectivity, the minimum requirements for additional chemicals, the ease of scaling up, and the continuous operation, recent advances in ion exchange and advanced oxidation processes are greatly noteworthy. Recent progress in the non-membrane technologies, which are based on novel materials, are expected to enhance the removal efficiency of EfOM and even make it feasible to selectively remove undesirable fractions/compounds from bulk EfOM.

• 한국물환경학회지
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• 제38권1호
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• pp.31-42
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• 2022

Dissolved organic matter (DOM), which changes according to various factors, is ubiquitously present from natural environments to engineered treatment systems. Only limited information is available regarding the environmental functions of DOM after bulk analyses are only applied for characterization. In this paper, latest DOM analytical techniques are briefly introduced, which include fluorescence excitation-emission matrix with parallel factor analysis (EEM-PARAFAC), size-exclusion chromatography with an organic carbon detector (SEC-OCD), carbon/nitrogen stable-isotope ratio, and Fourier transform-ion cyclotron resonance-mass spectroscopy (FT-ICR-MS). Recent examples of using advanced analyses to interpret the phenomena associated with DOM occurring in natural and engineered systems are presented here. Through EEM-PARAFAC, different components like protein-like, fulvic-like, and humic-like can be identified and tracked individually through the investigated systems. SEC-OCD allows researchers to quantify different size fractions. FT-ICR-MS provides thousands of molecular formulas present in bulk DOM samples. Lastly, carbon/nitrogen stable-isotope ratio offers reasonable tools for tracking the sources in environments. We also discuss the advantages and weakness of the above-mentioned characterizing tools. Specifically, they focus on single environmental factors (different sourced-DOM and interaction of sediment-pore water) or simple changes after individual treatment processes. Through collaboration with the advanced techniques later, they help the researchers to better understand environmental behaviors in aquatic systems and serve as essential tools for addressing various pending problems associated with DOM.

• Bulletin of the Korean Chemical Society
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• 제30권11호
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• pp.2665-2668
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• 2009

A new algorithm for determining noise level is proposed for more reliability in interpreting spectral data for complex Fourier transform ion cyclotron resonance (FTICR) mass spectra of petroleum. In the new algorithm, a moving window with a fixed number of data points was adopted, instead of a fixed m/z width. In the analysis of petroleum, it was found that a moving window of 50,000 or more data points was optimal. This optimized automated peak picking performed well even with frequency-dependant noise in the mass spectrum. Additionally, this fast, automated peak picking algorithm was suitable for the analysis of a large set of samples.

• Mass Spectrometry Letters
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• 제12권4호
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• pp.192-199
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• 2021

Alpine glaciers harbor a large quantity of bio-labile dissolved organic matter (DOM), which plays a pivotal role in global carbon cycling as glacial-fed streams are headwaters of numerous large rivers. To understand the complexity, origin, and fate of DOM in glaciers and downstream-linked streams and lakes, we elucidated the molecular composition of DOM in two different Tibetan Plateau glaciers, eight glacial-fed streams and five lakes, using an ultrahigh-resolution 15 Tesla Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The compositional changes of the DOM samples revealed that glacier DOM mostly exhibited sulfur-containing organic compounds (CHOS species). We also found that aliphatic formulae contributed more than 50% of the total abundance of assigned molecules in glacier samples, and those compounds were significantly related to CHOS species. The CHO proportions of glacial-fed streams and lakes samples increased with increasing distance from glacial terminals. The relative contribution of terrestrial-derived organics (i.e., lignins and tannins) declined while microbial-originated organics (aliphatics) increased with increasing elevation. This suggested the gradual input of allochthonous materials from non-glacial environment and the degradation of microbe-derived compounds along lower elevations. Alpine glaciers are retreating as a result of climate change and they nourished numerous streams, rivers, and downstream-linked lakes. Therefore, the interpretations of the detailed molecular changes in glacier ice, glacial-fed streams, and alpine lakes on the Tibetan Plateau could provide broad insights for understanding the biogeochemical cycling of glacial DOM and assessing how the nature of DOM impacts fluvial ecosystems.