• Title/Summary/Keyword: $F_0$ target

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QM and Pharmacophore based 3D-QSAR of MK886 Analogues against mPGES-1

  • Pasha, F.A.;Muddassar, M.;Jung, Hwan-Won;Yang, Beom-Seok;Lee, Cheol-Ju;Oh, Jung-Soo;Cho, Seung-Joo;Cho, Hoon
    • Bulletin of the Korean Chemical Society
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    • v.29 no.3
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    • pp.647-655
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    • 2008
  • Microsomal prostaglandin E2 synthase (mPGES-1) is a potent target for pain and inflammation. Various QSAR (quantitative structure activity relationship) analyses used to understand the factors affecting inhibitory potency for a series of MK886 analogues. We derived four QSAR models utilizing various quantum mechanical (QM) descriptors. These QM models indicate that steric, electrostatic and hydrophobic interaction can be important factors. Common pharmacophore hypotheses (CPHs) also have studied. The QSAR model derived by best-fitted CPHs considering hydrophobic, negative group and ring effect gave a reasonable result (q2 = 0.77, r2 = 0.97 and Rtestset = 0.90). The pharmacophore-derived molecular alignment subsequently used for 3D-QSAR. The CoMFA (Comparative Molecular Field Analysis) and CoMSIA (Comparative Molecular Similarity Indices Analysis) techniques employed on same series of mPGES-1 inhibitors which gives a statistically reasonable result (CoMFA; q2 = 0.90, r2 = 0.99. CoMSIA; q2 = 0.93, r2 = 1.00). All modeling results (QM-based QSAR, pharmacophore modeling and 3D-QSAR) imply steric, electrostatic and hydrophobic contribution to the inhibitory activity. CoMFA and CoMSIA models suggest the introduction of bulky group around ring B may enhance the inhibitory activity.

Transport and management of diffuse pollutants using low impact development technologies applied to highly urbanized land uses (고도화 도시지역에 적용된 LID 기법의 비점오염물질 관리 및 이동)

  • Geronimo, F.K.F.;Choi, H.S.;Kim, L.H.
    • Journal of Wetlands Research
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    • v.21 no.2
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    • pp.173-180
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    • 2019
  • This study was conducted to understand factors affecting TSS and heavy metals transport on the road, parking lot and roof. During storm events, heavy metals, which were mostly attached to TSS, were also transported when TSS was washed off in the road, parking lot and roof. This finding may be supported by the significant correlations between TSS load and total and soluble heavy metals load including Cr, Fe, Cu, and Pb (Pearson r value: 0.52 to 0.73; probability p value<0.01). Generation and transport of TSS and heavy metals were greater in the road and parking lot compared to the roof due to vehicular activities, slope and greater catchment areas of these sites. It was found that TSS transport during peak flows of storm events ranges from 65% to 75% implying that by controlling peak flows, TSS transportation to nearby water bodies may be decreased. Depending on the target TSS and heavy metal reduction, sizing of low impact development (LID) technologies and green infrastructures (GI) such as infiltration trench, tree box filter, and rain garden may be calculated. Future researchers were recommended to assess the limitations of the systems and determine the design considerations for these types of facilities.

Rapid and Specific Detection of Acidovorax avenae subsp. citrulli Using SYBR Green-Based Real-Time PCR Amplification of the YD-Repeat Protein Gene

  • Cho, Min Seok;Park, Duck Hwan;Ahn, Tae-Young;Park, Dong Suk
    • Journal of Microbiology and Biotechnology
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    • v.25 no.9
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    • pp.1401-1409
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    • 2015
  • The aim of this study was to develop a SYBR Green-based real-time PCR assay for the rapid, specific, and sensitive detection of Acidovorax avenae subsp. citrulli, which causes bacterial fruit blotch (BFB), a serious disease of cucurbit plants. The molecular and serological methods currently available for the detection of this pathogen are insufficiently sensitive and specific. Thus, a novel SYBR Green-based real-time PCR assay targeting the YD-repeat protein gene of A. avenae subsp. citrulli was developed. The specificity of the primer set was evaluated using DNA purified from 6 isolates of A. avenae subsp. citrulli, 7 other Acidovorax species, and 22 of non-targeted strains, including pathogens and non-pathogens. The AC158F/R primer set amplified a single band of the expected size from genomic DNA obtained from the A. avenae subsp. citrulli strains but not from the genomic DNA of other Acidovorax species, including that of other bacterial genera. Using this assay, it was possible to detect at least one genomeequivalents of the cloned amplified target DNA using 5 × 100 fg/µl of purified genomic DNA per reaction or using a calibrated cell suspension, with 6.5 colony-forming units per reaction being employed. In addition, this assay is a highly sensitive and reliable method for identifying and quantifying the target pathogen in infected samples that does not require DNA extraction. Therefore, we suggest that this approach is suitable for the rapid and efficient diagnosis of A. avenae subsp. citrulli contaminations of seed lots and plants.

A Comparative Study between Stock Price Prediction Models Using Sentiment Analysis and Machine Learning Based on SNS and News Articles (SNS와 뉴스기사의 감성분석과 기계학습을 이용한 주가예측 모형 비교 연구)

  • Kim, Dongyoung;Park, Jeawon;Choi, Jaehyun
    • Journal of Information Technology Services
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    • v.13 no.3
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    • pp.221-233
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    • 2014
  • Because people's interest of the stock market has been increased with the development of economy, a lot of studies have been going to predict fluctuation of stock prices. Latterly many studies have been made using scientific and technological method among the various forecasting method, and also data using for study are becoming diverse. So, in this paper we propose stock prices prediction models using sentiment analysis and machine learning based on news articles and SNS data to improve the accuracy of prediction of stock prices. Stock prices prediction models that we propose are generated through the four-step process that contain data collection, sentiment dictionary construction, sentiment analysis, and machine learning. The data have been collected to target newspapers related to economy in the case of news article and to target twitter in the case of SNS data. Sentiment dictionary was built using news articles among the collected data, and we utilize it to process sentiment analysis. In machine learning phase, we generate prediction models using various techniques of classification and the data that was made through sentiment analysis. After generating prediction models, we conducted 10-fold cross-validation to measure the performance of they. The experimental result showed that accuracy is over 80% in a number of ways and F1 score is closer to 0.8. The result can be seen as significantly enhanced result compared with conventional researches utilizing opinion mining or data mining techniques.

Voltammetric Sensor Incorporated with Conductive Polymer, Tyrosinase, and Ionic Liquid Electrolyte for Bisphenol F (전도성고분자, 티로시나아제 효소 및 이온성 액체 전해질을 융합한 전압전류법 기반의 비스페놀F 검출 센서)

  • Sung Eun Ji;Sang Hyuk Lee;Hye Jin Lee
    • Applied Chemistry for Engineering
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    • v.34 no.3
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    • pp.258-263
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    • 2023
  • In this study, conductive polymers and the enzyme tyrosinase (Tyr) were deposited on the surface of a screen printed carbon electrode (SPCE), which can be fabricated as a disposable sensor chip, and applied to the detection of bisphenol F (BPF), an endocrine disruptor with proven links to male diseases and thyroid disorders, using electrochemical methods. On the surface of the SPCE working electrode, which was negatively charged by oxygen plasma treatment, a positively charged conductive polymer, poly(diallyldimethyl ammonium chloride) (PDDA), a negatively charged polymer compound, poly(sodium 4-styrenesulfonate) (PSS), and another layer of PDDA were layered by electrostatic attraction in the order of PDDA, PSS, and finally PDDA. Then, a layer of Tyr, which was negatively charged due to pH adjustment to 7.0, was added to create a PDDA-PSS-PDDA-Tyr sensor for BPF. When the electrode sensor is exposed to a BPF solution, which is the substrate and target analyte, 4,4'-methylenebis(cyclohexa-3,5-diene-1,2-dione) is generated by an oxidation reaction with the Tyr enzyme on the electrode surface. The reduction process of the product at 0.1 V (vs. Ag/AgCl) generating 4,4'-methylenebis(benzene-1,2-diol) was measured using cyclic and differential pulse voltammetries, resulting in a change in the peak current with respect to the concentration of BPF. In addition, we compared the detection performance of BPF using an ionic liquid electrolyte as an alternative to phosphate-buffered saline, which has been used in many previous sensing studies. Furthermore, the selectivity of bisphenol S, which acts as an interfering substance with a similar structure to BPF, was investigated. Finally, we demonstrated the practical applicability of the sensor by applying it to analyze the concentration of BPF in real samples prepared in the laboratory.

Biological Screening of Novel Derivatives of Valproic Acid for Anticancer and Antiangiogenic Properties

  • Farooq, Muhammad;El-Faham, Ayman;Khattab, Sherine N.;Elkayal, Ahmed M.;Ibrahim, Mahmoud F.;Taha, Nael Abu;Baabbad, Almohannad;Wadaan, Mohammad A.M.;Hamed, Ezaat A.
    • Asian Pacific Journal of Cancer Prevention
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    • v.15 no.18
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    • pp.7785-7792
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    • 2014
  • Background: Valproic acid (VPA) is a potent anticancer and antiangiogenic agent. However, design and synthesis of chemical derivatives with improved antiangiogenic and anticancer activities are still necessary. In this study a library of novel derivatives of VPA was synthesized and tested. Methods: A human liver cancer cell line (HepG2) and a human normal embryonic kidney cell line (HEK 293) were exposed to various concentrations of VPA derivatives for 24 hours and cell viability was checked by MTT colorimetric assay. Anti-angiogenic properties were evaluated in transgenic zebrafish embryos. Results: N-valproylglycine derivatives suppressed survival almost 70% (p value 0.001) in HepG2 cells but only 10-12% in HEK 293 cells (p value 0.133). They also suppressed angiogenic blood vessel formation by 80% when used between $2-20{\mu}M$ in zebrafish embryos. Valproic acid hydrazides showed moderate level of anticancer activity by affecting 30-50% (p value 0.001) of cell viability in HepG2 cells and 8-10% in HEK293 cells (p value 0.034). Conclusion: The majority of compounds in this study showed potent and stronger antiangiogenic and anticancer activity than VPA. They proved selectively toxic to cancer cells and safer for normal cells. Moreover, these compounds inhibited developmental angiogenesis in zebrafish embryos. Based on the fact that liver is a highly vascularized organ, in case of liver carcinoma these compounds have the potential to target the pathological angiogenesis and could be an effective strategy to treat hepatocellular carcinoma.

Development and Assessment of New RT-qPCR Assay for Detection of HIV-1 Subtypes

  • Lim, Kwanhun;Park, Min;Lee, Min Ho;Woo, Hyun Jun;Kim, Jong-Bae
    • Biomedical Science Letters
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    • v.22 no.3
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    • pp.83-97
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    • 2016
  • The measurement of viral load in HIV-1 infected patients is essential for the establishment of a therapeutic strategy. Several commercial assays have shown shortcomings in quantifying rare genotypes of HIV-1 such as minor groups of N and O. In this study, the HIV-1 RT-qPCR assay was developed. The primers and probe of HIV-1 were designed to target the pol gene and to increase the detection efficiency of various subtypes including group N and O. The HIV-1 quantitative RT-qPCR assay was assessed for its analytical performance and clinical evaluation. The LoD was determined to 33.9 IU/ml. The LoD of several subtypes including A, C, D, CRF_01AE, F, CRF_02AG, G and H, were determined to less than 40 IU/ml. The HIV-1 quantitative RT-qPCR assay was evaluated using the China National Reference Panel of HIV-1 RNA to determine the analytical performance. The results were all within the acceptable range. The clinical evaluation was performed at Hunan CDC in China. The clinical evaluation results were compared with those of the China domestic commercial kit. A significant correlation (fresh samples; $R^2=0.84$, P<0.001, frozen samples; $R^2=0.76$, P<0.001) between the two systems was observed for 64 fresh samples and 76 frozen samples with viral loads, and the Bland-Altman plot showed good agreement (98.4%, 96.1%, respectively). In conclusion, the HIV-1 quantitative RT-qPCR assay had comparable analytical performance with several commercial kits. The study provides basic data for the research of HIV-1 diagnosis and the development of P < HIV-1 molecular diagnostic assay.

Reactive RF Magnetron Sputtering에 의해 성장된 Si(100) 과 Si(111) 기판 위에 증착된 $CeO_2$ 박막의 구조적, 전기적 특성

  • 김진모;김이준;정동근
    • Proceedings of the Korean Vacuum Society Conference
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    • 1999.07a
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    • pp.103-103
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    • 1999
  • CeO2 는 cubic 구조의 일종인 CeF2 구조를 가지며 격자 상수가 0.541nm로 Si의 격자 상수 0.543nm와 거의 비슷하여 Si과의 부정합도가 0.35%에 불과하여 CeO2를 Si 기판 위에 에피택셜하게 성장시킬 수 있는 가능성이 크다. 따라서 SOI(Silicon-On-Insulator) 구조의 실현을 위하여 Si 기판위에 CeO2를 에피택셜하게 성장시키려는 많은 노력이 있었다. 또한 CeO2 는 열 적으로 대단히 안정된 물질로서 금속/강유전체/반도체 전계효과 트랜지스터(MFSFET : metal-ferroelectric-semiconductor field effect transistor)에서 ferroelectric 박막과 Si 기판사이에 완충층으로 사용되어 강유전체의 구성 원자와 Si 원자들간의 상호 확산을 방지함으로써 경계면의 특성을 향상시기키 위해 사용된다. e-beam evaporation와 laser ablation에 의한 Si 기판 위의 CeO2 격자 성장에 관한 많은 보고서가 있다. 이 방법들은 대규모 생산 공정에서 사용하기 어려운 반면 RF-magnetron sputtering은 대규모 반도체 공정에 널리 쓰인다. Sputtering에 의한 Si 기판위의 CeO2 막의 성장에 관한 보고서의 수는 매우 적다. 이 논문에서는 Ce target을 사용한 reactive rf-magnetron sputtering에 의해 Si(100) 과 Si(111) 기판위에 성장된 CeO2 의 구조 및 전기적 특성을 보고하고자 한다. 주요한 증착 변수인 증착 power와 증착온도, Seed Layer Time이 성장막의 결정성에 미치는 영향을 XRD(X-Ray Diffractometry) 분석과 TED(Transmission Electron Diffration) 분석에 의해 연구하였고 CeO2 /Si 구조의 C-V(capacitance-voltage)특성을 분석함으로써 증차된 CeO2 막과 실리콘 기판과의 계면 특성을 연구하였다. CeO2 와 Si 사이의 계면을 TEM 측정에 의해 분석하였고, Ce와 O의 화학적 조성비를 RBS에 의해 측정하였다. Si(100) 기판위에 증착된 CeO2 는 $600^{\circ}C$ 낮은 증착률에서 seed layer를 하지 않은 조건에서 CeO2 (200) 방향으로 우선 성장하였으며, Si(111) 기판 위의 CeO2 박막은 40$0^{\circ}C$ 높은 증착률에서 seed layer를 2분이상 한 조건에서 CeO2 (111) 방향으로 우선 성장하였다. TEM 분석에서 CeO2 와 Si 기판사이에서 계면에서 얇은 SiO2층이 형성되었으며, TED 분석은 Si(100) 과 Si(111) 위에 증착한 CeO2 박막이 각각 우선 방향성을 가진 다결정임을 보여주었다. C-V 곡선에서 나타난 Hysteresis는 CeO2 박막과 Si 사이의 결함때문이라고 사료된다.

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Interests in Nutrition·Beauty·Body Shape of Pregnant and Lactating Women·Desires for "Inner Health, Outer Beauty" Functional Foods (임산부 및 수유부의 영양·미용·체형변화에 대한 관심도와 미용 보조 식품에 관한 연구)

  • Ryu, Se-Ja;Park, Mi-Seong;Park, Seung-Yong
    • Journal of Dairy Science and Biotechnology
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    • v.35 no.4
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    • pp.232-243
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    • 2017
  • Although several supplementary foods are available for pregnant and lactating women, there is a need for foods able to maintain a woman's beauty without any changes in body shape. In this study, four questionnaires about nutrition management, skin care, body shape, and the intent of purchasing beauty supplementary foods, were prepared for an online survey (http://pms8011.wixsite.com/project). A total of 95 answers from 293 women were classified into four groups, based on age, income, occupation, and skin type. The data were statistically analyzed using SPSS/WIN Program 22.0. The significances of the F-value analyzed by one-way ANOVA and the differences within the groups were verified by Scheffe's method. All groups were shown to have very high requirements for nutrition management and beauty standards. In the skin patterns, the groups of middle-aged women, house wife and the lower income showed high interests, with a high significance (P<0.01) in ages. With respect to body shape, significant interest was found within the groups of skin type (P<0.05) and age (P<0.001). With regard to supplementary foods, all groups showed a strong intention to purchase, but no significant differences were found. This study indicates the necessity to categorize supplementary foods by the intended target group, such as women planning to conceive, pregnant women, and lactating women.

Effects of Vacuum Annealing on the Structural Properties of Sputtered Vanadium Oxide Thin Films (스퍼터된 바나듐 산화막의 구조적 특성에 미치는 진공 어닐링의 효과)

  • Whang, In-Soo;Choi, Bok-Gil;Choi, Chang-Kyu;Kwon, Kwang-Ho;Kim, Sung-Jin
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.05b
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    • pp.70-73
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    • 2002
  • Thin films of vanadium oxide($VO_{x}$) have been deposited by r.f. magnetron sputtering from $V_{2}O_{5}$ target in gas mixture of argon and oxygen. The oxygen/(oxygen+argon) partial pressure ratio of 0% and 8% is adopted. Crystal structure, chemical composition, molecular structure and optical properties of films sputter-deposited under different oxygen gas pressures and in-situ annealed in vacuum at $400^{\circ}C$ for 1h and 4h are characterized through XRD. RBS, FTlR and optical absorption measurements. The films as-deposited are amorphous and those annealed for time longer than 4h are polycrystalline. $V_{2}O_{5}$ and lower oxides co-exist in sputter-deposited films and as the oxygen partial pressure is increased the films become more stoichiometric $V_{2}O_{5}$. When annealed at $400^{\circ}C$, the as-deposited films are reduced to a lower oxide. It is observed that the oxygen atoms located on the V-O plane of $V_{2}O_{5}$ layer participate more readily in the oxidation and reduction process. The optical transmission of the films annealed in vacuum decreases considerably than the as-deposited films and the optical absorption of all the films increases rapidly between 400 and 550nm.

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