• Title/Summary/Keyword: 스크리닝 기법

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Deep-learning Prediction Based Molecular Structure Virtual Screening (딥러닝 예측 기반의 OLED 재료 분자구조 가상 스크리닝)

  • Jeon, Yerin;Lee, Kyu-Hwang;Lee, Hokyung
    • Korean Chemical Engineering Research
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    • v.58 no.2
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    • pp.230-234
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    • 2020
  • A system that uses deep-learning techniques to predict properties from molecular structures has been developed to apply to chemical, biological and material studies. Based on the database where molecular structure and property information are accumulated, a deep-learning model looking for the relationship between the structure and the property can eventually provide a property prediction for the new molecular structure. In addition, experiments on the actual properties of the selected molecular structure will be carried out in parallel to carry out continuous verification and model updates. This allows for the screening of high-quality molecular structures from large quantities of molecular structures within a short period of time, and increases the efficiency and success rate of research. In this paper, we would like to introduce the overall composition of the materiality prediction system using deep-learning and the cases applied in the actual excavation of new structures in LG Chem.

Gene Transfer Optimization via E. coli-driven Conjugation in Nocardiopsis Strain Isolated via Genome Screening (유전체 스크리닝으로 선별된 Nocardiopsis 균주의 대장균 접합을 통한 유전자 도입전략 최적화)

  • Jeon, Ho-Geun;Lee, Mi-Jin;Kim, Hyun-Bum;Han, Kyu-Boem;Kim, Eung-Soo
    • Microbiology and Biotechnology Letters
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    • v.39 no.2
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    • pp.104-110
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    • 2011
  • Actinomycetes, Gram positive soil bacteria, are valuable microorganisms which produce useful secondary metabolites including antibiotics, antiparasitic substances, anti-cancer drugs, and immunosuppressants. Although a major family of actinomycetes, known as streptomycetes, has been intensively investigated at the molecular level for several decades, a potentially valuable and only recently isolated non-streptomycetes rare actinomycetes (NSRA) family has been poorly characterized due to lack of proper genetic manipulation systems. Here we report that a PCR-based genome screening strategy was performed with approximately 180 independently isolated actinomycetes strains to isolate potentially valuable NSRA strains. Thanks to this simple PCR-based genome screening strategy we were able to identify only seven NSRA strains, followed by 16S rRNA sequencing for confirmation. Through further bioassays, one potentially valuable NSRA strain (tentatively named Nocardiopsis species MMBL010) was identified which possessed both antifungal and antibacterial activities, along with the presence of polyketide synthase and non-ribosomal peptide synthase genes. Moreover, Nocardiopsis species MMBL010, which was intrinsically recalcitrant to genetic manipulation, was successfully transformed via E. coli-driven conjugation. These results suggest that PCR-based genome screening, followed by the establishment of an E. coli-driven conjugation system, is an efficient strategy to maximize potentially valuable compounds and their biosynthetic genes from NSRA strains isolated from various environments.

Construction and Analysis of a DNA Microarray for the Screening of Biosynthetic Genes of Secondary-Metabolites formation in Streptomyces (방선균 유래 이차대사 생합성 유전자 분석용 DNA Microarray 제작 및 해석)

  • Nam Soo Jung;Kang Dae-Kyung;Rhee Ki Hyeong;Kim Jong-Hee;Kang Sang Sun;Chang Yong Keun;Hong Soon-Kwang
    • Korean Journal of Microbiology
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    • v.41 no.2
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    • pp.105-111
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    • 2005
  • Streptomyces produces many kinds of secondary-metabolites including antibiotics. Screening of a new compound and elucidation of a biosynthetic pathway for the secondary metabolites are very important fields of biology, however, there is a main problem that most of the identified compounds are already researched compounds. To solve these problems, a microarray system that is based on the data related to the biosynthetic genes for secondary-metabolites was designed. For the main contents of DNA microarray, the important genes for the bio-synthesis of aminoglycosides, polyenes group, enediyne group, alpha-glucosidase inhibitors, glycopeptide group, and orthosomycin group were chosen. A DNA microarray with 69 genes that were involved in the bio-synthesis for the antibiotics mentioned above was prepared. The usability of the DNA microarray was confirmed with the chromosomal DNA and total RNA extracted from S. coelicolor whose genomic sequence had already been reported.

전산망 보호를 위한 방화벽 시스템 고찰

  • 박응기;손기욱;정현철
    • Review of KIISC
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    • v.6 no.2
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    • pp.5-20
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    • 1996
  • 본 고는 인터네트와 내부(로컬) 네트워크 사이에 위치하여 내부 네트워크의 자원 및 중요한 정보를 해커 및 불법 침입자로부터 보호하기 위해서 사용되는 방화벽(Firewall) 시스템에 대해 분석하였다. 방화벽 시스템은 OSI 참조 모델의 계층 3과 계층 4에서 프로토콜 정보에 따라 패킷 필터링을 수행하는 스크리닝 라우터(Screening Router) 와 OSI 참조 모델의 상위 계층에서 트래픽을 허가 및 거절하는 게이트웨이 혹은 proxy로 크게 나눌 수 있다. 이러한 방화벽 시스템들은 인터네트 등의 외부 네트워크와 내부 네트워크 사이에서 네트워크 트래픽을 감시하고, 허가 및 거절하는 역할을 수행한다. 인터네트 등 외부 네트워크에 연결된 내부 네트워크를 보호하기 위해서는 강력한 암호화기법 및 정보보호 서비스를 내부 네트워크의 시스템에 구현하고, 방화벽 시스템을 사용하면 해커 등과 같은 불법 침입자로부터 내부 네트워크의 자원 및 정보를 보다 효율적으로 보호할 수 있다.

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Atom Number and Bounding Sphere Based Search Speedup Technique for Similar Proteins Screening (원자개수와 경계구에 기반한 유사 단백질 스크리닝을 위한 검색 가속 기법)

  • Lee, Jaeho;Park, JoonYoung
    • Korean Journal of Computational Design and Engineering
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    • v.20 no.4
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    • pp.321-327
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    • 2015
  • In the protein database search, 3D structural shape comparison for protein screening plays a important role. Protein databases have big size and have been grown rapidly. Exhaustive search methods cannot provide a satisfactory performance. As protein is composed of a set of spheres, the similarity calculation of two set of spheres is very expensive. Thus, a reasonable filtering method could be an answer for the speedup of protein screening. In this paper, we suggest a speedup method for protein screening with atom number and bounding sphere. We also show some experimental results for the validity of our method.

3-D K-means clustering method considering internal chemical state variation of self-dischareg of Li-ion battery (리튬 이온 배터리의 자가 방전에 따른 내부 화학적 상태를 고려한 3-D K-means Clustering 스크리닝 기법 연구)

  • Han, Dongho;Kwon, Sanguk;Kim, Seungwoo;Lim, Cheolwoo;Kim, Jonghoon
    • Proceedings of the KIPE Conference
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    • 2019.11a
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    • pp.150-151
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    • 2019
  • 리튬 이온 배터리가 전기 자동차 및 다양한 어플리케이션에 적용됨에 따라 폐배터리의 수요 또한 증가하고 있다. 내부 화학적 상태가 상이한 배터리의 전기적 특성실험을 통해 파라미터를 선정할 수 있으며 전기적 특성 실험 전 후의 시간차에 따른 파라미터 변화를 반영하는 것이 필수적이다. 제조 공정과정의 파라미터의 측정값과 특성실험 후의 파라미터 재측정값을 비교함으로써 이를 3-D Kmeans Clustering 알고리즘에 반영하여 더욱 정밀한 셀 선별을 실시하였다.

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The battery pack surface temperature comparing analysis due to structure of the series combination battery pack (직렬조합 배터리팩의 구조에 의한 배터리팩 표면온도 비교 분석)

  • Lee, Chun-Gu;Lee, Hyun-Jun;Park, Joung-Hu;Kim, Jong-Hoon
    • Proceedings of the KIPE Conference
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    • 2016.11a
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    • pp.57-58
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    • 2016
  • 리튬이온 배터리는 다른 배터리들에 비해서 높은 전압과 큰 용량을 갖고 있지만 EV와 ESS에 사용되기 위해서는 아직도 다수의 배터리를 직, 병렬로 연결하여 팩으로 구성하여 사용할 필요가 있다. 이 때 팩을 구성하는 리튬이온 배터리들이 셀 스크리닝 기법을 통해서 분류가 된 배터리라고 하여도 표면적인 원인과 직렬조합 배터리팩의 구조에 따라서 온도편차가 발생 할 수 있다. 이 때 이 배터리 팩을 사용하는 시스템의 BMS가 위의 상황을 고려하지 않는다면 BMS의 SOC 추정 값을 신뢰 할 수 없을 것이다. 본 논문에서는 실험결과를 토대로 구조가 다른 배터리 팩을 기존의 BMS로 각각의 SOC를 추정해 보고 배터리 직렬조합 구조에 의한 배터리 팩의 표면온도를 비교 분석해 보려한다.

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Screening for inhibitory effect on nine CYP isoforms by 20 herbal medications (고속 스크리닝 기법을 이용한 한약제제의 cytochrome P45O 저해능 탐색)

  • Kim, Hyun-Mi;Liu, Kwang-Hyeon
    • Journal of Life Science
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    • v.17 no.3 s.83
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    • pp.334-339
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    • 2007
  • We evaluated the potential of 20 herbal medications (HMs), commonly used in Korea, to inhibit the catalytic activities of several cytochrome P450 (CYP) isoforms. The abilities of 500 ${\mu}g/ml$ of aqueous extracts of 20 HMs to inhibit phenacetin O-deethylation (CYP1A2), coumarin 6-hydroxylation (CYP2A6), bupropion hydroxylation (CYP2B6), rosiglitazone hydroxylation (CYP2C8), tolbutamide 4-methylhydroxylation (CYP2C9), S-mephenytoin 4'-hydroxylation (CYP2C19), dextromethorphan O-demethylation (CYP2D6), chlorzoxazone 6-hydroxylation (CYP2E1), and midazolam 1'-hydroxylation (CYP3A) were tested using human liver microsomes. The HMs Woohwangcheongsimwon suspension and Hwanglyeonhaedok-Tang strongly inhibited CYP2B6 and CYP2D6 isoform activity, respectively. These results suggest that some of the HMs used in Korea have potential to inhibit CYP isoforms in vitro. Although the plasma concentrations of the active constituents of the HMs were not determined, some herbs could cause clinically significant interactions because the usual doses of those individual herbs are several grams of freeze-dried extracts.

Quantitative Analysis of Microplastics in Coastal Seawater of Taean Peninsula using Fluorescence Measurement Technique (형광측정기법을 이용한 태안반도 연안 표층수의 미세플라스틱 정량분포 스크리닝)

  • Un-Ki Hwang;Hoon Choi;Ju-Wook Lee;Yun-Ho Park;Wonsoo Kang;Moonjin Lee
    • Journal of Marine Life Science
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    • v.8 no.1
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    • pp.68-77
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    • 2023
  • In this study, we investigated the quantitative distribution of microplastics in the surface seawater at 8 points near the Taean Peninsula using fluorescence staining. The study revealed a detection range of microplastics from 0 to 360.5 particles/l, with an average of 149.7 ± 46.0 particles/l. When classifying the microplastics by size, it was found that particles smaller than 50 ㎛ were dominant, although there were differences at Site 3. Moreover, it was not possible to identify clear correlations when comparing the number of microplastics based on collection area and particle size. Various physical and chemical factors, including plastic material, dynamic ocean conditions (such as currents, wind, waves, tides), geological characteristics (topography, slope), sediment materials including coastal organisms, human activities (fishing, development, tourism), and weather conditions (floods, rainfall), affect the behavior of microplastics. Therefore, future efforts should focus on standardizing quantitative analysis methods and conducting fundamental research on microplastic monitoring, including the analysis of environmental factors.

Design Optimization of Double-deck Train Carbody Under Multi-loading Condition (다중하중조건에서 2층열차 차체의 최적설계)

  • Lee, Tae-Hee;Lee, Jin-Min;Jung, Jae-Jun;Hwang, Won-Ju;Kim, Hyeong-Jin
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.30 no.11 s.254
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    • pp.1472-1478
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    • 2006
  • Double-deck train has been attracted growing attention as next generation transportation around metropolis because of high passenger carrying capacity. To develop high-speed double-deck train with low operational costs, the carbody must be designed as light as possible. In addition, the carbody must be strong enough to ensure the safety of passengers. To meet these design requirements, we perform systematically weight minimization that determines thickness of aluminum extruded panels of the carbody. First, to reduce the design variables, we carry out the screening process that select sensitive or/and important design variables through design exploration. Then, weight minimization is accomplished under multi-loading condition such as vertical, compressive and torsional loads, while satisfying strength constraints of the design regulations. Finally, the result of design optimization is discussed by comparison with its initial design.