• Journal of Plant Biotechnology
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• 제33권3호
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• pp.161-169
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• 2006

식물대사체학은 식물세포, 조직, 기관, 혹은 개체수준에서 주어진 시간과 조건에서 발견되는 모든 대사물질을 밝히고, 시간의 경과 혹은 조건의 변화에 따른 metabolic profiling의 변화를 연구하는 식물학 분야이다. 식물대사체학은 생물에 대한 전체론적 접근을 위한 가장 최근에 발달된 omics분야의 하나로서 일종의 시스템 생물학이다. 전체론적 접근과 이해를 위해서 대사체학은 metabolic profiling의 계량화학 혹은 다변량분석 방법을 자주 사용한다. 식물학분야에서 대사체학은 애기장대나 벼와 같은 모델식물에 tag를 도입하여 형질전환시킨 돌연변이체에 대해 DNA microarray와 함께 사용하여 유전자의 기능을 밝히는데 유용하게 사용된다. 본 총설에서는 식물대사체학의 기본 개념과 1H NMR 혹은 FTIR으로 얻은 metabolic profiling의 다변량분석에 대한 실용적인 사용법을 소개하고자 하였다.

• 한국자기공명학회논문지
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• 제22권2호
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• pp.26-33
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• 2018

Xanthium sibiricum is used as a traditional folk medicine for the treatment of cancer, fever, headache, nasal sinusitis, and skin pruritus. This study aimed to identify components from Xanthium sibiricum extracts using an SPE-800MHz NMR-MS hyphenated system. The simultaneous acquisition of MS and NMR spectra from the same chromatographic peaks significantly increases the depth of information acquired for the compound and allows the elucidation of structures that would not be possible using MS or NMR data alone. LC -NMR analysis was conducted using a HPLC separation system coupled to 800 MHz spectrometer equipped with a cryoprobe, and a SPE unit was used to automatically trap chromatographic peaks using a HPLC pump. LC-MS analysis was conducted with a Q-TOF MS instrument using ESI ionization in the negative ion mode. Using the hyphenated analysis, several secondary metabolites were identified, such as 3',5'-O-dicaffeoylquinic acid, 1',5'-O-dicaffeoyl- quinic acid, and ethyl caffeate. These results demonstrate that the SPE-800MHz NMR-MS hyphenated system can be used to identify metabolites within natural products that have complex mixtures.

• 한국자기공명학회논문지
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• 제16권1호
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• pp.46-66
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• 2012

Metabolomic studies using human urine have shown that human metabolism is altered by a variety of environmental, cultural, and physiological factors. Comprehensive information about normal human metabolite profiles is necessary for accurate clinical diagnosis of disease and for disease prevention and treatment. In this study, metabolite correlation analyses, using $^1H$ nuclear magnetic resonance (NMR) spectroscopy coupled with multivariate statistics, were performed on human urine to compare metabolic differences based on gender and/or obesity in healthy human subjects. First, we applied partial least squares discriminant analysis to the NMR spectral data set to verify the data's ability to discriminate by gender and obesity. Then, the differences in metabolite-metabolite correlation between male and female, and between normal and high body mass index (obese) subjects were investigated through pairwise correlations. Creatine and several metabolites, including isoleucine, trans-aconitate, and trimethylamine N-oxide (TMAO), exhibited different quantitative relationships depending on gender. Dimethylamine had a different correlation with glycine and TMAO, based on gender. The correlation of TMAO with amino acids was considerably lower in obese, compared to normal, subjects. We expect that the results will shed light on the metabolic pathways of healthy humans and will assist in the accurate diagnosis of human disease.

• Mass Spectrometry Letters
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• 제11권1호
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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.

• 한국미생물·생명공학회지
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• 제34권4호
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• pp.306-310
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• 2006

토양 미생물인 방선균의 배양액으로부터 그람양성균에 대해 항균활성을 가지는 항균성 물질을 탐색하였다. 2,500주의 방선균 배양액을 탐색하여 항균성 물질 생산균주 Streptomyces sp. G9l353을 분리하였고, 그로부터 생산된 항균성 물질인 A91353을 분리 정제하였다. A91353은 다양한 구조해석 연구에 의하여 N-acetyl-phenylalanine으로 동정되었으며 Sc. pyogenes 308A, Sc. pyogenes 77A 등과 같은 그람양성균에 대해 선택적이며, D-alanyl-D-alanine과 상호작용 하여 그람양성균의 세포벽 합성을 저해하는 것으로 사료된다. N-acetyl-phenylalanine의 최소생육저해 농도는 그람양성균에 대해서 $50{\mu}g/ml$ 이었으며, 그람음성균에 대한 활성은 나타나지 않았다.

• Journal of Microbiology and Biotechnology
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• 제18권7호
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• pp.1203-1206
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• 2008

A Gram-positive strain designated as MSL-$14^T$ isolated from a soil sample collected from Bigeum Island, Korea, was subjected to polyphasic taxonomy. The isolate was strictly aerobic. Cells were short rods and motile. Optimum growth temperature and pH was 28$^{\circ}C$ and 7.0, respectively. It was characterized chemotaxonomically as having a cell-wall peptidoglycan type based on LL-2,6-diaminopimelic acid and MK-$8(H_4)$ as the predominant menaquinone. The major fatty acids were iso-$C_{16:0}$, $C_{17:1}$ omega8c, and $C_{18:1}$ omega9c. The G+C content was 67.6 mol%. Phylogenetic analysis based on the 16S rRNA gene sequence revealed that strain MSL-$14^T$ is affiliated to the genus Nocardioides and formed a distinct lineage within the genus. MSL-$14^T$ showed highest sequence similarity to Nocardioides aestuarii JCM $12125^T$, having a similarity of 96.5%. Based on the 16S rRNA gene sequence divergence and phenotypic characteristics, it is proposed that strain MSL-$14^T$ should be classified as representing a novel member of the genus Nocardioides, for which we propose the name Nocardioides tritolerans sp. novo The type strain is strain MSL-$14^T$ (=KCTC $19289^T$=DSM $19320^T$).

• 한국자기공명학회논문지
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• 제16권2호
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• pp.91-102
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• 2012

Metabolomics is the systematic identification and quantification of all metabolites in an organism or biological sample. NMR has been used as a major application tool in plant metabolomics such as quality control, chemotaxonomy, and analysis of genetically modified plants. Herbal medicines are the important therapeutics and are used to manage common diseases such as cold, inflammation, pain, heart diseases, liver cirrhosis, diabetes and central nerve system diseases. Herb plants include various kinds of species such as geranium, mint, and thyme and so on and contain different kinds of metabolites. We performed NMR-based metabolomics study on the seven different species of herb plants using $^1H$ NMR experiments and OPLS-DA to understand the correlation between the classification of herb plants and their metabolite contents. This study showed clear metabolic discrimination among various herb plants. This metabolmics study found several diagnostic NMR signals which are able to be used as bio-markers for identification of the specific herb plants among various species. Clear metabolic discrimination of herb plants suggests three chemotaxonomic groups of herb species.

• Animal Bioscience
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• 제37권5호
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• pp.918-928
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• 2024

Objective: The adulteration of raw beef (BMr) with dog meat (DMr) and pork (PMr) becomes a serious problem because it is associated with halal status, quality, and safety of meats. This research aimed to develop an effective authentication method to detect non-halal meats (dog meat and pork) in beef using metabolomics approach. Methods: Liquid chromatography-high resolution mass spectrometry (LC-HRMS) using untargeted approach combined with chemometrics was applied for analysis non-halal meats in BMr. Results: The untargeted metabolomics approach successfully identified various metabolites in BMr DMr, PMr, and their mixtures. The discrimination and classification between authentic BMr and those adulterated with DMr and PMr were successfully determined using partial least square-discriminant analysis (PLS-DA) with high accuracy. All BMr samples containing non-halal meats could be differentiated from authentic BMr. A number of discriminating metabolites with potential as biomarkers to discriminate BMr in the mixtures with DMr and PMr could be identified from the analysis of variable importance for projection value. Partial least square (PLS) and orthogonal PLS (OPLS) regression using discriminating metabolites showed high accuracy (R² >0.990) and high precision (both RMSEC and RMSEE <5%) in predicting the concentration of DMr and PMr present in beef indicating that the discriminating metabolites were good predictors. The developed untargeted LC-HRMS metabolomics and chemometrics successfully identified non-halal meats adulteration (DMr and PMr) in beef with high sensitivity up to 0.1% (w/w). Conclusion: A combination of LC-HRMS untargeted metabolomic and chemometrics promises to be an effective analytical technique for halal authenticity testing of meats. This method could be further standardized and proposed as a method for halal authentication of meats.

• Genomics & Informatics
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• 제19권2호
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• pp.13.1-13.8
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• 2021

Ranked in the topmost position among the deadliest diseases in the world, cardiovascular diseases (CVDs) are a global burden with alterations in heart and blood vessels. Early diagnostics and prognostics could be the best possible solution in CVD management. OMICS (genomics, proteomics, transcriptomics, and metabolomics) approaches could be able to tackle the challenges against CVDs. Genome-wide association studies along with next-generation sequencing with various computational biology tools could lead a new sight in early detection and possible therapeutics of CVDs. Human cardiac proteins are also characterized by mass spectrophotometry which could open the scope of proteomics approaches in CVD. Besides this, regulation of gene expression by transcriptomics approaches exhibits a new insight while metabolomics is the endpoint on the downstream of multi-omics approaches to confront CVDs from the early onset. Although a lot of challenges needed to overcome in CVD management, OMICS approaches are certainly a new prospect.

• 농약과학회지
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• 제12권1호
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• pp.97-101
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• 2008

소나무재선충에 대한 살선충 활성을 나타내는 방선균의 탐색 및 동정을 위하여 2000여개의 방선균배양액 라이브러리로부터 살선충 활성을 탐색하였다. 현재 소나무재선충에 대한 생물학적 방제제로 사용되고 있는 Streptomyces avermitilis 균주 배양액의 살선충 활성과 비교하여 선발한 결과, 강력한 살선충 활성을 나타내는 균주 AW050027을 균주를 최종 선발하였다. 선발군주에 대하여 형태학적, 배양학적, 생리학적 특성 분석 및 분자계통분류학적 분석을 한 결과 선발군주는 Micromonospora coriariae $NAR01^T$ 균주와 98.9%의 상동성을 가진 균주로 동정되었다.