• Natural Product Sciences
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• 제26권4호
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• pp.340-344
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• 2020

A new chromone analogue (1) was isolated from an EtOAc-extract of Pleosporales sp. culture medium, together with five known chromones (2 - 6). The isolation workflow was guided by a Molecular Networking-based dereplication strategy. The chemical structure of the new compound was elucidated using NMR and MS spectroscopy, and the absolute configuration was established by the Mosher's method. All isolated compounds were evaluated for their inhibitory effects on lipopolysaccharide-induced nitirc oxide production in RAW 264.7 macrophages. Compound 1 showed marginal inhibitory activity with an IC50 value of 118.7 μM.

• Journal of Microbiology and Biotechnology
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• 제32권10호
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• pp.1299-1306
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• 2022

Six ansamycin derivatives were isolated from the culture broth of Streptomyces sp. KCB17JA11, including four new hygrolansamycins A-D (1-4) and known congeners divergolide O (5) and hygrocin C (6). Compounds 1-5 featured an unusual six-membered O-heterocyclic moiety. The isolation workflow was guided by a Molecular Networking-based dereplication strategy. The structures of 1-4 were elucidated using NMR and HRESIMS experiments, and the absolute configuration was established by the Mosher's method. Compound 2 exhibited mild cytotoxicity against five cancer cell lines with IC₅₀ values ranging from 24.60 ± 3.37 µM to 49.93 ± 4.52 µM.

• BMB Reports
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• 제43권6호
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• pp.383-388
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• 2010

The number of cancer patients has increased due to longer life spans and treatment has become a universal problem. Since molecular-targeted therapies were introduced as a new developmental strategy, certain targets have been examined hundreds of times, with developers overlapping their research efforts. We need to focus our energy and resources on novel drug candidate identification and optimization, in order to enhance the entry of early-stage drug candidates into the therapeutics pipeline. This presents a major opportunity for Korea to jump the decades-old development gap between our programs and those that are more advanced in other countries. Although this country does not have a specific center for validation and development of cancer therapeutics, we do have cutting-edge scientists performing research in many institutions. In this paper, I will review cancer drug development in Korea and suggest future directions, while urging colleagues to utilize their networking expertise so we can move toward a new paradigm of novel therapeutics development. An example of such efforts has begun with the Drug Development Consortium, which was described in the KSBMB chapter. This consortium was launched in 2010 by biochemists, chemists, cell and molecular biologists and pharmacologists. It is clear that effective cancer therapeutics will be developed more efficiently when we all strive for the same goal.

• 한국정보처리학회:학술대회논문집
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• 한국정보처리학회 2013년도 춘계학술발표대회
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• pp.111-113
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• 2013

멀티 코어 시스템의 보급으로 일반 시스템에서도 프로그램의 병렬 실행이 가능해지고 있다. 본 연구에서는 멀티 코어를 사용하는 단일 시스템에서 분자 동역학 코드인 LAMMPS를 대상으로 병렬 수행 성능을 확인하고 분석하여 효과적인 실행 조건을 살펴보았다. LAMMPS의 구조적인 특징과 공간 분할 방식의 사용으로 인하여 단일 시스템에서도 메시지 전달 방식에 의한 병렬 수행이 보다 효율적임을 확인할 수 있었다.

• 공업화학
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• 제29권1호
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• pp.112-116
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• 2018

주조공정 중 주형제조 시 점결제로 사용되는 silicate계 바인더의 주요원료 중 하나인 물유리와 첨가제(Si, 알칼리 금속)의 혼합특성을 살펴보았다. 물유리와 첨가제 그리고 비율에 따라 제조된 혼합물은 FT-IR분석을 통해 분자결합구조를 살펴보았으며, 점도측정으로 분자구조와의 상관관계를 비교하였다. 물유리에 Si 소스의 제공은 물질 내 Si 망상결합을 촉진시켜 점도는 증가하였고, 알칼리 금속을 첨가하였을 경우에 물유리의 Si 망상결합을 억제하여 점도가 낮아졌다. 물유리와 리튬 실리케이트(lithium silicate, LS)의 혼합물의 점도는 LS의 함량이 20 wt% 이하에서는 LS의 함량이 증가할수록 증가하였지만, 20 wt%를 초과할 경우 점차 낮아졌다. 물유리에 KOH를 첨가함으로써 점도를 낮출 수 있었으며, 콜로이달 실리카(colloidal silica, CS) 또는 potassium methyl siliconate (PMS)와의 혼합을 효과적으로 이용하는 데 이용할 수 있다.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2002년도 하계학술대회 논문집 Vol.3 No.2
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• pp.769-772
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• 2002

Dendrimers are well-defined macromolecules exhibiting a tree-like structure, first derived by the cascade molecule approach. Peculiar features of the dendritic geometry are the large number of end groups as well as the shape persistence in higher generations, approaching spherical geometry. And one of the most peculiar characteristics of dendritic macromolecules is their controlled molecular structure and orientation, which means that they have a practical application in achieving a highly organized molecular arrangement. We attempted to fabricate a dendrimer LB films containing 48 pyridinepropanol functional end group. As the pyridinepropanol functional group could form a complex structure with metal ions. We investigated the surface activity of dendrimer films at air-water interface compared with pure dendrimer and its complex with $Fe^{2+}$ ions into subphase. We though that metal ions are contributed to networking or branching reaction between dendrimers. And we expected that it can result in the differences on the electrical properties. We have studied the electrical properties of the ultra thin dendrimer LB films investigated by the current-voltage characteristics of metal dendrimer LB films/metal (MIM) structure.

• Natural Product Sciences
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• 제27권4호
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• pp.257-263
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• 2021

Aster species (Asteraceae) are widely distributed edible and medicinal plants, known to contain various specialized metabolites including polyphenols and saponins. However, systemic analysis on the chemical profiles of these plants have rarely been made. Here we analyzed the phytochemical constituents in leaves of 6 Aster species occurring in Korea, A. ageratoides, A. altaicus var. uchiyamae, A. glehnii, A. hispidus, A. incisus, and A. yomena, by applying a LC-MS/MS-based untargeted metabolomics approach. The analysis revealed that A. ageratoides, A. hispidus, and A. yomena are relatively rich in saponins most of which are expected to be previously unknown.

• Molecular & Cellular Toxicology
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• 제1권1호
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• pp.17-25
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• 2005

There are some critical drawbacks in the use of biomarkers for a global assessment of the toxicological impacts many chemicals and environmental pollutants have, primarily due to an individual biomarker's specificity for an explicit chemical or toxicant. In other words, the biomarker-based assessment methodology used to analyze toxicological effects lacks a high-throughput capability. Therefore, eco-toxicogenomics, or the study of toxicogenomics with organisms present within a given environmental locale, has recently been introduced with the advent of the so-called "-omics" era, which began with the creation of microarray technologies. Fish are comparable with humans in their toxicological responses and thus data from toxicogenomic studies performed with fish could be applied, with appropriate tools and implementation protocols, to the evaluation of environments where human or animal health is of concern. At present, there have been very active research streams for developing expression sequence tag (EST) databases (DBs) for zebra fish and rainbow trout. Even though few reports involve toxicogenomic studies with fish, a few groups have successfully fabricated and used cDNA microarrays or oligo DNA chips when studying the toxicological impacts of hypoxia or some toxicants with fish. Furthermore, it is strongly believed that this technology can also be implemented with non-model fish. With the standardization of DNA microarray technologies and ample progress in bioinformatics and proteomic technologies, data obtained from DNA microarray technologies offer not only multiple biomarker assays or an analysis of gene expression profiles, but also a means of elucidating gene networking, gene-gene relations, chemical-gene interactions, and chemical-chemical relationships. Accordingly, the ultimate target of eco-toxicogenomics should be to predict and map the pathways of stress propagation within an organism and to analyze stress networking.

• Journal of Microbiology and Biotechnology
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• 제33권10호
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• pp.1351-1360
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• 2023

Endocrine-disrupting chemicals (EDCs) are compounds that disturb hormonal homeostasis by binding to receptors. EDCs are metabolized through hepatic enzymes, causing altered transcriptional activities of hormone receptors, and thus necessitating the exploration of the potential endocrine-disrupting activities of EDC-derived metabolites. Accordingly, we have developed an integrative workflow for evaluating the post-metabolic activity of potential hazardous compounds. The system facilitates the identification of metabolites that exert hormonal disruption through the integrative application of an MS/MS similarity network and predictive biotransformation based on known hepatic enzymatic reactions. As proof-of-concept, the transcriptional activities of 13 chemicals were evaluated by applying the in vitro metabolic module (S9 fraction). Identified among the tested chemicals were three thyroid hormone receptor (THR) agonistic compounds that showed increased transcriptional activities after phase I+II reactions (T3, 309.1 ± 17.3%; DITPA, 30.7 ± 1.8%; GC-1, 160.6 ± 8.6% to the corresponding parents). The metabolic profiles of these three compounds showed common biotransformation patterns, particularly in the phase II reactions (glucuronide conjugation, sulfation, GSH conjugation, and amino acid conjugation). Data-dependent exploration based on molecular network analysis of T3 profiles revealed that lipids and lipid-like molecules were the most enriched biotransformants. The subsequent subnetwork analysis proposed 14 additional features, including T4 in addition to 9 metabolized compounds that were annotated by prediction system based on possible hepatic enzymatic reaction. The other 10 THR agonistic negative compounds showed unique biotransformation patterns according to structural commonality, which corresponded to previous in vivo studies. Our evaluation system demonstrated highly predictive and accurate performance in determining the potential thyroid-disrupting activity of EDC-derived metabolites and for proposing novel biotransformants.

• 한국응용과학기술학회지
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• 제38권2호
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• pp.476-487
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• 2021

고형분 70% 아크릴수지를 합성하기 위해 n-butyl methacrylate(BMA), methyl methacrylate(MMA), 2-hydroxyethyl methacrylate(2-HEMA) 및 acetoacetoxyethyl acrylate(AAEA)와 caprolactone acrylate(CLA)를 사용하여 공중합체의 유리전이온도(T_g)를 50 ℃로 조정하여 합성하였으며, 합성한 아크릴수지의 점도와 분자량은 수산기가(OH values)의 증가에 따라 증가되었다. 높은 고형분의 아크릴수지 합성에 적합한 반응개시제는 di-tert-amyl peroxide 이었으며, 최적의 합성조건은 반응 개시제 5 wt%, 연쇄이동제 4 wt%, 반응온도 140 ℃에서 적하시간은 4시간이었다. 합성수지의 구조는 FT-IR과 ¹H-NMR spectroscopy로 확인하였고, 수평균 분자량은 1900~2600, 분자량 분포도 1.4~2.1을 얻었다. 합성한 아크릴수지와 무황변성 폴리이소시아네이트인 hexamethylene diisocyanate trimer(Desmodur N-3300)의 NCO/OH 당량비를 1.2/1.0으로 조절하여 아크릴-우레탄 투명도료를 제조하였다. 도료의 물리적 특성으로 점도, 부착성, 건조시간, 가사시간, 연필경도 및 광택을 비교 검토한 결과 부착성, 건조시간, 가사시간, 연필경도 및 광택이 양호한 결과를 나타내었고, 특히 CLA를 10 % 도입한 도료는 부착성이 우수하고 낮은 점도와 높은 경도를 나타내었다.