• Title/Summary/Keyword: Structure-activity relation

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Estimation of Activtiy Against Adenocarcinoma CA755 and Toxicity of Purines in Mice Using Physicochemical Parameter and Connectivity Index

  • Park Byung-Kak;Kim Ho-Soon;Suh Man-Chul;Lee Gab-Yong;Paek U-Hyon
    • Bulletin of the Korean Chemical Society
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    • v.10 no.1
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    • pp.1-5
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    • 1989
  • The nonempirical molecular connectivity indexes of a number of mono- and disubstituted purines were calculated. Very good correlations were obtained between anticancer activity (log 1/c) and toxic activity (log 1/) of tIhese compounds and their molecular connectivity indexes and physicochemical constants. Our structure-activity relationship is discussed briefly in relation to theories of general QSAR.

Structure and Challenges of a Security Policy on Small and Medium Enterprises

  • Almeida, Fernando;Carvalho, Ines;Cruz, Fabio
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.12 no.2
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    • pp.747-763
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    • 2018
  • Information Technology (IT) plays an increasingly important role for small and medium-sized enterprises. It has become fundamental for these companies to protect information and IT assets in relation to risks and threats that have grown in recent years. This study aims to understand the importance and structure of an information security policy, using a quantitative study that intends to identify the most important and least relevant elements of an information security policy document. The findings of this study reveal that the top three most important elements in the structure of a security policy are the asset management, security risk management and define the scope of the policy. On the other side, the three least relevant elements include the executive summary, contacts and manual inspection. Additionally, the study reveals that the importance given to each element of the security policy is slightly changed according to the sectors of activity. The elements that show the greatest variability are the review process, executive summary and penalties. On the other side, the purpose of the policy and the asset management present a stable importance for all sectors of activity.

Development of Context Awareness and Service Reasoning Technique for Handicapped People (장애인을 위한 상황인식 및 서비스 추론기술 개발)

  • Ko, Kwang-Eun;Shin, Dong-Jun;Sim, Kwee-Bo
    • Journal of the Korean Institute of Intelligent Systems
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    • v.18 no.4
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    • pp.512-517
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    • 2008
  • It is show that increasing of aged and handicapped people requires development of Ubiquitous computing technique to offer the specialized service for handicapped-people. For this, we need a development of Context Awareness and Service Reasoning Technique that the technique is supplied interaction between user and U-environment instead of the old unilateral relation. The old research of context awareness needed probabilistic presentation model like a Bayesian Network based on expert Systems for recognize given circumstance by a domain of uncertain real world. In this article, we define a domain of disorder activity assistant service application and context model based on ontology in diversified environment and minimized intervention of user and developer. By use this context model, we apply the structure learning of Bayesian Network and decide the service and activity to development of application service for handicapped people. Finally, we define the proper Conditional Probability Table of the structured Bayesian Network and if random situation is given to user, then present state variable of Activity and Service by given Causal relation of Bayesian Network based on Conditional Probability Table and it can be result of context awareness.

Structure-dependent Mechanism of Action of Poly Aromatic Hydrocarbons in Cultured Primary Hepatocytes (간세포에서 PAH의 구조 의존적 작용기전)

  • Kim Sun-Young;Hong Sung-Bum;Yang Jae-Ho
    • Toxicological Research
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    • v.22 no.1
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    • pp.23-30
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    • 2006
  • Among poly aromatic hydrocarbons, dioxin and PCBs are the most controversial environmental pollutants in our modern life. These pollutants are known as human carcinogens, and liver is the most sensitive target in animal cancer models. Specific aims of the study were focused on the mechanism of carcinogenesis in hepatocytes and the structure-activity relation among these diverse environmental chemicals. Because key mechanisms of dioxin-induced carcinogenesis in human epithelial cell model are the alteration of signal transduction pathway and PKC isoforms, the alteration of the signal transduction pathways and other factors associated with carcinogenesis were studied. Rat hepatocytes cultured under the sandwich protocols were exposed with the various concentration of dioxins and PCBs, and signal transduction pathway, protein kinase C isoforms, oxidant stress, and apoptotic nuclei were evaluated. Since it is important to understand the structure-activity relation among these chemicals to properly assess the carcinogenic potentials, the study analyzed the parameters associated with carcinogenic processes, based on their structural characteristics. In addition, signal transduction pathways and PKC isoforms involved in inhibition of UV-induced apoptosis were also analyzed to elaborate the tumor promotion mechanism of these chemicals. Induction of apoptosis by UV irradiation was optimal at $60\;J/m^2$ in primary hepatocyte in culture. Compared to non coplanar PCBs such as PCB 114 and PCB 153, coplanar PCBs such as PCB 77 and PCB126 showed a stronger inhibition of apoptosis induced by UV irradiation. Production of reactive oxygen species (ROS) was more stimulated by non-coplanar PCBs than coplanar PCBs with the most potent induction of ROS by chlorinated non-coplanar PCB. As compared to the level of induction by PCB126, non-coplanar PCB153 showed a higher increase of intracellular concentrations. Besides the alteration of intracellular calcium concentration, translocation of PKC from cytosolic fraction to membrane fraction was clearly observed upon the exposure of non-coplanar PCB. Taken together, the present study demonstrated that there is a potent structure-activity relationship among PCB congeners and the mechanism of PAH-induced carcinogenesis is structure-specific. The study suggested that more diverse pathways of PAH-induced carcinogenesis should be taken into account beyond the boundary of Ah receptor dogma to assess the health impact of PAH with more accuracy.

Prediction of $EC_{50}$ of Photobacterium phosphoreum for CAHs and Chlorophenol Derivatives Using QSAR (QSAR방법을 이용한 CAHs와 Chlorophenol 유도체에 대한 $EC_{50}$값 예측)

  • Lee, Hong-Joo;Yoo, Seung-O;Lee, Jeong-Gun;Kim, Byung-Yong;Chun, Uck-Han
    • Microbiology and Biotechnology Letters
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    • v.27 no.1
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    • pp.54-61
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    • 1999
  • Measurement of inhibition of bioluminescence in Photobacterium phosphoreum has been porposed as a sensitive and rapid procedure to monitor toxic substances. However, at first, $EC_{50}$ which shows degree of toxicity to each toxic substances must be calculated. QSAR (Quantitative Structure Activity Relationship) model can be used to estimate $EC_{50}$ to save time and endeavor. Moderately high correlation coefficients ($r^2{\geq}$ 0.97) were calculated from the linear correlation between $EC_{50}$ and molecular connectivity indices of CAHs (chlorinated aliphatic hydrocarbons)such as $^0X$, $^0X^V$, $^1X$, $^2X$ and $^3X^v_c$ and quadratic correlation between $EC_{50}$ and $^0X$, $^0X^V$, $^2X^V$, $^3X_c$, $^3X^V_c$ and P. It shows that the molecular connection indices in carbon structure is contributed to biological characters with linear relation and that in the other one with quadratic relation. The $EC_{50}$ of chlorophenol derivatives had quadratic relation with the value of octanol/water prtition coefficients ($r^2$=0.99) and linear and quadratic relation with the number of chlorine compound (($r^2{\geq}$0.94). This confirms the already known trend of increasing toxicity with increasing ability of a compound to diffuse through cell membrane and number of chlorine substitution.

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Comparison with Water Quality of main Rivers in the world, based on OECD reports

  • Kambe, Junko;Aoyama, Tomoo;Nagashima, Umpei
    • 제어로봇시스템학회:학술대회논문집
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    • 2005.06a
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    • pp.935-940
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    • 2005
  • We are faced with water pollutions on a population explosion. Considering the importance, we research European rivers based on OECD reports. Observations in the reports have defects that make evaluation of environmental situations be difficult. By using interpolations in the compensation quantitative structure-activity relation ships (CQSAR), we complement the defects in the water quality of rivers through big cities. Thus, we get complete data set for dissolved oxygen, biochemical oxygen demand, and total phosphorus. Using the data set, we examine re-naturalization of the Rhein and the Donau in Germany. We investigate the effect of dams between Slovakia and Hungary, by using reconstructions of neural networks in CQSAR. The reconstructions have functions to extract a principal relation. On the investigation, we examine assertions of conservation groups. As the result, we confirm the re-naturalization is effective, and find a negative effect of the dam construction on changes of dissolved oxygens in the Hungary Donau. We investigate the Seine and the Thames, too.

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Effect of Substituents on Benzenesulfonyl Motif of 4-Phenyl-1-arylsulfonylimidazolidinones for Their Cytotoxicity

  • Lee, Hui-Soon;Park, Kyung-Lae;Choi, Sang-Un;Lee, Chong-Ock;Jung, Sang-Hun
    • Archives of Pharmacal Research
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    • v.23 no.6
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    • pp.579-584
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    • 2000
  • To explore the effect of substituents' on phenyl motif on sulfonyl function of novel anticancer 4-phenyl-1-benzenesulfonylimidazolidinones (1), electron donating or withdrawing sub-stituents were introduced at 3 or 4-position and the analogs were tested against human lung (A549) and colon (HCT-15) cancer cell lines. Quantitative structure activity relation-ship of the 4-substituted series shows that only STERIMOL L values are well correlated. The increment of substituent's volume enhances the activity against both cell lines. The small substituent at 3-position additionally increases the activity. However naphthyl group in place of phenyl reduces the activity, Therefore the phenyl motif with sterically large substituent at 4-position and small substituent at 3-position may be important for their activity. Integration of these substituents' effects into the structural design led to discover the more potent analog, 4-phenyl-1-(N-acetylindoline-5-sulfonyl) imidazolidinone (1n).

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The effect of field-line twist on the dynamic nature and electric current structure of emerging magnetic field on the Sun

  • An, Jun-Mo;Magara, Tetsuya;Lee, Hwan-Hee;Kang, Ji-Hye
    • The Bulletin of The Korean Astronomical Society
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    • v.37 no.1
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    • pp.87.1-87.1
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    • 2012
  • We use three-dimensional magnetohydrodynamic simulations to investigate how the dynamic state of emerging magnetic field is related to the twist of field lines. Emergence of magnetic field is considered as one of the key physical process producing solar activity such as flares, jets, and coronal mass ejections. To understand these activities we have to know dynamic nature and electric current structure provided by emerging magnetic field. To demonstrate dynamic nature of field lines, we focus on the factors such as curvature of magnetic field line and scale height of magnetic field strength. These factors show that strong twist case forms two-part structure in which the central part is close to a force-free state while the outer marginal part is in a fairly dynamic state. For weak twist case, it still shows two-part structure but the tendency becomes weaker than strong twist case. We discuss how the curvature distribution affects the dynamic nature of emerging magnetic field. We also investigate electric current distribution provided by emerging field lines to show a possible relation between electric current structure and sigmoid observed in a preflare phase.

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A Study on the Analysis of the Interconnection structure between Major countries and Korean Water transport industry (주요 국가 및 우리나라 수상운송업 간의 상호 연관구조 분석 연구)

  • Seon-youl Park;Ho Park
    • Korea Trade Review
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    • v.48 no.2
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    • pp.175-195
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    • 2023
  • This study is for analyzing the relation between Korean Water transport and the other main countries Water transport. In the Free trade system, Maritime transport has a high impact on the global economy as well as the each countries. The division of labor through the global value chain(GVCs) has became the ordinary activity in business, and in Maritime shipping,, there are the International trade among countries. Therefore, This study analyze relation of Korean water transport and other 13 regions using World Input-Output Table(WIOT) by Asia Development Bank(ADB). The result of analysis, the proportion of intermediate goods in the input structure of Korean water transport is about 70%, and the ratio of using domestic products is higher than the major European countries. However, since 2000, intermediate inputs from foreign countries have steadily increased, and added value has decreased. Countries with a high relation with Korean Water transport industry are United States(USA) on the input structure, Singapore(SIN) and Japan(JPN) on the distribution structure. Analyzing the relation through the production inducement coefficient, Singapore(SIN) has the high relationship with Korean Water transport industry.