• Mass Spectrometry Letters
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• v.6 no.1
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• pp.13-16
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• 2015

This study demonstrated the stabilizing role of a cyclodextrin on Keggin $[PW_{12}O_{40}]^{3-}$ via hydrogen bonding complexation unveiled by ESI-MS. The distinctive fragmentation pathways of the $\{PW_{12}\}/{\gamma}$-CD complexes from that of discrete $[PW_{12}O_{40}]^{3-}$ showed that the so-called "weak" non-covalent interactions can effectively change the dissociation chemistry of POM in the gas phase. The influence of different types of solvents and organic additives such as ${\gamma}$-CD on the stability of Keggin $[PW_{12}O_{40}]^{3-}$ was also addressed firstly by ESI-MS.

• Natural Product Sciences
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• v.23 no.4
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• pp.247-252
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• 2017

The methylglyoxal (MGO) trapping constituents from onion (Allium cepa L.) peels were investigated using pre-column incubation of MGO and crude extract followed by HPLC analysis. The peak areas of MGO trapping compounds decreased, and their chemical structures were identified by HPLC-ESI/MS. Among major constituents in outer scale of onion, 2-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxy-3(2H)-benzofuranone (2) was more effective MGO scavenger than quercetin (6) and its 4'-glucoside, spiraeoside (3). After 1 h incubation, compound 2 trapped over 90% MGO at a concentration of 0.5 mM under physiological conditions, but compounds 3 and 6 scavenged 45%, 16% MGO, respectively. HPLC-ESI/MS showed that compound 2 trapped two molecules of MGO to form a di-MGO adduct and compounds 3 and 6 captured one molecule of MGO to form mono-MGO adducts, and the positions 6 and 8 of the A ring of flavonoids were major active sites for trapping MGO.

• The Korean Journal of Food And Nutrition
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• v.19 no.3
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• pp.267-270
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• 2006

In Korea, for a long time Rhus verniciflua has traditionally been used as an herbal medicines plants. A stem of Rhus verniciflua has been used to treat gastrointestinal trouble with in form of boiled chicken as a folk medicine. But it has been recognized as an extremely active allergen causing skin reactions. The chief allergenic component, urushiol, is found within the oleoresinous sap of Rhus verniciflua. Most components of urushiol have unsaturated side chains. These unsaturated side chains of urushiol are important to polymerization of these natural products. The urushiol components in Korean lacquer were isolated by reversed phase HPLC. The molecular weight of purified urushiol was determined as 340 from mass analysis. This compound was identified as Heptadecatetraenyl catechol (MW 340).

• Journal of the Korean Chemical Society
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• v.54 no.4
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• pp.443-446
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• 2010

HPLC analysis of a commercial herb drink marketed as a functional food revealed to contain an unauthorized substance similar to sildenafil, the active ingredient of the prescription drug Viagra$^{(R)}$ approved for the treatment of male erectile dysfunction. In order to identify the illegal additive, the herb drink was extracted with methylene chloride, and the extract was purified further using semipreparative HPLC. The chemical structure of the isolated substance was elucidated based on IR, LC/MS-ESI, and NMR spectroscopy, which showed the characteristics similar to sildenafil with minor modification. The only difference was the substitution of the methylpiperazine moiety of sildenafil to the hydroxyethylpiperazine group of the illegal additive.

• Bulletin of the Korean Chemical Society
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• v.35 no.1
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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.

• Journal of Microbiology and Biotechnology
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• v.18 no.5
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• pp.866-873
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• 2008

2-Deoxystreptamine is a core aglycon that is vital to backbone formation in various aminoglycosides. This core structure can be modified to develop hybrid types of aminoglycoside antibiotics. We obtained three genes responsible for 2-deoxystreptamine production, neo7, neo6, and neo5, which encode 2-deoxy-scyllo-inosose synthase, L-glutamine: 2-deoxy-scyllo-inosose aminotransferase, and dehydrogenase, respectively, from the neomycin gene cluster. These genes were cloned into pIBR25, a Streptomyces expression vector, resulting in pNDOS. The recombinant pNDOS was transformed into a non-aminoglycoside-producing host, Streptomyces venezuelae YJ003, for heterologous expression. Based on comparisons of the retention time on LC-ESI/MS and ESI-MS data with those of the 2-deoxystreptamine standard, a compound produced by S. venezuelae YJ003/pNDOS was found to be 2-deoxystreptamine.

• Mass Spectrometry Letters
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• v.12 no.4
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• pp.152-158
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• 2021

Electrospray ionization (ESI) and ion mobility spectrometry-mass spectrometry (IMS-MS) were employed to investigate the solvated structures of ionic species in the lithium iodide electrolyte solution in the gas phase. The Li⁺I^-Li⁺ triple ion and single standalone Li+ ions solvated by 1,4-dioxane were successfully generated and observed by ESI-MS under the influence of dioxane vapor at the inlet region. Under the present experimental condition, (1,4-dioxane)_m·Li⁺ complex ions (m = 1, 2, and 3) and a (1,4-dioxane)·Li⁺I^-Li⁺ complex ion were observed, which were further examined by IMS to investigate their structures. The presence of multiple structural isomers was confirmed, which accounts for the endothermic conformational transition of 1,4-dioxane from a chair to a boat to achieve bidentate O-donor binding to Li⁺ and Li⁺I^-Li⁺. Further structural details critical for the ion-solvent interactions were also examined and discussed with the help of density functional theory calculations.

• Mass Spectrometry Letters
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• v.15 no.2
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• pp.69 -78
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• 2024

The advancement of high-throughput omics technologies and systems biology is essential for understanding complex biological mechanisms and diseases. The integration of proteomics and metabolomics provides comprehensive insights into cellular functions and disease pathology, driven by developments in mass spectrometry (MS) technologies, including electrospray ionization (ESI). These advancements are crucial for interpreting biological systems effectively. However, integrating these technologies poses challenges. Compared to genomic, proteomics and metabolomics have limitations in throughput, and data integration. This review examines developments in MS equipped electrospray ionization (ESI), and their importance in the effective interpretation of biological mechanisms. The review also discusses developments in sample preparation, such as Simultaneous Metabolite, Protein, Lipid Extraction (SIMPLEX), analytical techniques, and data analysis, highlighting the application of these technologies in the study of cancer or Huntington's disease, underscoring the potential for personalized medicine and diagnostic accuracy. Efforts by the Clinical Proteomic Tumor Analysis Consortium (CPTAC) and integrative data analysis methods such as O2PLS and OnPLS extract statistical similarities between metabolomic and proteomic data. System modeling techniques that mathematically explain and predict system responses are also covered. This practical application also shows significant improvements in cancer research, diagnostic accuracy and therapeutic targeting for diseases like pancreatic ductal adenocarcinoma, non-small cell lung cancer, and Huntington's disease. These approaches enable researchers to develop standardized protocols, and interoperable software and databases, expanding multi-omics research application in clinical practice.

• Mass Spectrometry Letters
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• v.3 no.3
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• pp.82-85
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• 2012

The formation of zinc finger peptide-$Zn^{2+}$ complexes in electrospray ionization mass spectrometry (ESI-MS) was examined using three different metal ion sources: $ZnCl_2$, $Zn(CH_3COO)_2$, and $Zn(OOC(CHOH)_2COO)$. For the four zinc finger peptides (Sp1-1, Sp1-3, CF2II-4, and CF2II-6) that bind only a single $Zn^{2+}$ in the native condition, electrospray of apo-zinc finger in solution containing $ZnCl_2$ or $Zn(CH_3COO)_2$ resulted in the formation of zinc finger-$Zn^{2+}$ complexes with multiple zinc ions. This result suggests the formation of nonspecific zinc finger-$Zn^{2+}$ complexes. Zn(tartrate), $Zn(OOC(CHOH)_2COO)$, mainly produced specific zinc finger-$Zn^{2+}$ complexes with a single zinc ion. This study clearly indicates that tartrate is an excellent counter ion in ESI-MS studies of zinc finger-$Zn^{2+}$ complexes, which prevents the formation of nonspecific zinc finger-$Zn^{2+}$ complexes.

• Analytical Science and Technology
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• v.30 no.6
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• pp.379-389
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• 2017

In this study, we set up an analytical method that can be used for rapid and accurate determination of representative isoquinoline alkaloids in medicinal plants using UPLC-ESI-Q-TOF MS (ultra pressure liquid chromatography-electrospray ionization-quadrupole-time-of-flight mass spectrometry). The compounds were eluted on a C18 column with 0.1 % formic acid and acetonitrile, and separated with good resolution within 13 min. Each of the separated components was characterized by precursor ions (generated by ESI-Q-TOF) and fragment ions (produced by collision-induced dissociation, CID), which were used as a reliable database. We also performed method validation: analytes showed excellent linearity ($R^2$, 0.9971-0.9996), LOD (5-25 ng/mL), LOQ (17-82 ng/mL), accuracy (91.6-97.4 %) as well as intra- and inter-day precisions (RSD, 1.8-3.2 %). In the analysis of Chelidonium majus L., magnoflorine, coptisine, sanguinarine, berberine and palmatine were detected by matching retention times and characteristic fragment ion patterns of reference standards. We also confirmed that, among the quantified components, coptisine was present in the highest quantity. Furthermore, alkaloid profiling was carried out by analyzing the fragment ion patterns corresponding to peaks of unknown components. In this manner, protopine, chelidonine, stylopine, dihydroberberine, canadine, and nitidine were tentatively identified. We also proposed the molecular structure of the fragment ions that appear in the mass spectrum. Therefore, we concluded that our suggested method for the determination of major isoquinoline alkaloids by UPLC-Q-TOF can be useful not only for quality control, but also for rapid and accurate investigation of phytochemical constituents of medicinal plants.