• Title/Summary/Keyword: Quantitative screening

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QSPR Studies on Impact Sensitivities of High Energy Density Molecules

  • Kim, Chan-Kyung;Cho, Soo-Gyeong;Li, Jun;Kim, Chang-Kon;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • v.32 no.12
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    • pp.4341-4346
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    • 2011
  • Impact sensitivity, one of the most important screening factors for novel high energy density materials (HEDMs), was predicted by use of quantitative structure-property relationship (QSPR) based on the electrostatic potential (ESP) values calculated on the van der Waals molecular surface (MSEP). Among various 3D descriptors derived from MSEP, we utilized total and positive variance of MSEP, and devised a new QSPR equation by combining three other parameters. We employed 37 HEDMs bearing a benzene scaffold and nitro substituents, which were also utilized by Rice and Hare. All the molecular structures were optimized at the B3LYP/6-31G(d) level of theory and confirmed as minima by the frequency calculations. Our new QSPR equation provided a good result to predict the impact sensitivities of the molecules in the training set including zwitterionic molecules.

Knowledge and Beliefs of Malaysian Adolescents Regarding Cancer

  • Al-Naggar, Redhwan Ahmed;Jillson, Irene Anne;Abu-Hamad, Samir;Mumford, William;Bobryshev, Yuri V.
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.3
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    • pp.1097-1103
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    • 2015
  • Background: Few studies have explored the knowledge and attitudes of adolescents toward cancer prevention and treatment. This lack of research and its potential utility in the development of new educational initiatives and screening methods, or the reconstruction of existing ones, provided the impetus for this study. The primary research aim was to assess secondary school student knowledge of cancer and determine whether or not they possessed basic knowledge of cancer symptoms, risk factors, and treatments and to determine the relationship between cancer knowledge and key demographic factors. Materials and Methods: The Management and Science University conducted a cross-sectional study analyzing responses through cross-tabulation with the socio-demographic data collected. Results: The findings of our quantitative analysis suggest that Malaysian youth generally possess a moderate knowledge about cancer. Quantitative analyses found that socioeconomic inequalities and bias in education present as important factors contributing to cancer awareness, prevention, and treatment among Malaysian adolescents. Conclusions: The findings indicate that Malaysian youth generally possess a moderate knowledge about cancer but the current deficiencies in initiatives directed to cancer awareness continue to hinder the improvement in prevention of cancer among Malaysian adolescents.

An Approach to Multi-Stage Decision Process for Optimum Location (단계적 최적립지 결정 방법에 관한 연구)

  • 김복만;김지일
    • Journal of Korean Society of Industrial and Systems Engineering
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    • v.17 no.30
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    • pp.11-24
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    • 1994
  • The problem of location for industries and residential quarters has undoubtedly been one of the most important factors to enhance human activities and standard of living. Nonetheless. there seem to be no such theories or approaches as to cope with this problem satisfactorily. As a matter of fact the evaluation of proposed locations so far has stuck to quantitative factors and thus the results are often rejected by the public or individuals. In deciding the location of industrial complex and/or residential quarters, the qualitative factors often play more important role than the quantitative factors. Moreover, it is quite possible for a proposed location to be disapproved for reasons other than quantifiable factors. This work presents an approach to multi-stage decision process of optimum location, particularly for residential quarters. The proposed approach consists of four stages. At the first stage, candidates for the location are searched and checked against musts. After this screening process, the candidates fulfilling the musts are evaluated both quantitatively and qualitatively at the second stage. The third stage is devoted to the integrated evaluation using diffrent weights for the two factors. At the final stage, a location is selected among the candidates evaluated at the earlier stages. This approach has been applied to and tested on a apartment-building project in Ulsan area. Difficulties arising from quantifying factors were encountered as expected. Sometimes decisions could be a matter of taste of the individuals concerned.

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Development of Two Quantitative Real-Time PCR Diagnostic Kits for HPV Isolates from Korea

  • Jeeva, Subbiah;Kim, Nam-Il;Jang, In-Kwon;Choi, Tae-Jin
    • Journal of Microbiology and Biotechnology
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    • v.22 no.10
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    • pp.1350-1358
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    • 2012
  • Viral pathogens, alongside other pathogens, have major effects on crustacean aquaculture. Hepatopancreatic parvovirus (HPV) is an emerging virus in the shrimp industry and has been detected in shrimp farms worldwide. The HPV genome has greater diversity than other shrimp viruses owing to its wide host range and geographical distribution. Therefore, developing diagnostic tools is essential to detect even small copy numbers from the target region of native HPV isolates. We have developed two easy to use quantitative real-time PCR kits, called Green Star and Dual Star, which contain all of the necessary components for real-time PCR, including HPV primers, using the primers obtained from the sequences of HPV isolates from Korea, and analyzed their specificity, efficiency, and reproducibility. These two kits could detect from 1 to $1{\times}10^9$ copies of cloned HPV DNA. The minimum detection limits obtained from HPV-infected shrimp were $7.74{\times}10^1$ and $9.06{\times}10^1$ copies in the Green Star and Dual Star assay kits, respectively. These kits can be used for rapid, sensitive, and efficient screening for HPV isolates from Korea before the introduction of postlarval stages into culture ponds, thereby decreasing the incidence of early development of the disease.

Anesthetic efficacy of Gow-Gates versus inferior alveolar nerve block for irreversible pulpitis: a systematic quantitative review

  • Sarfaraz, Ifrah;Pascoal, Selma;Macedo, Jose Paulo;Salgado, Abel;Rasheed, Dil;Pereira, Jorge
    • Journal of Dental Anesthesia and Pain Medicine
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    • v.21 no.4
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    • pp.269-282
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    • 2021
  • This review aimed to assess and compare the outcomes of the anesthetic efficacy of inferior alveolar nerve block (IANB) and Gow-Gates mandibular nerve block (GGMNB) in patients with symptomatic irreversible pulpitis. A descriptive systematic review of quantitative research was conducted wherein the "Preferred Reporting Items for Systematic Reviews (PRISMA)" was adopted, and the Problem/Patient/Population, Intervention/Indicator, Comparison, Outcome (PICO) criteria were used to structure the research question. A literature search was performed using PubMed/Medline, Cochrane Library, Google Scholar, and Ovid. Selection criteria were applied for populations over nine years of age, of either sex, with irreversible pulpitis, and articles published in English regarding conventional IANB or IANB and Gow-Gates techniques between 2009 and 2019. Prospective randomized clinical trials or randomized controlled trials were included in the review, in which anesthetic efficacy or success was measured. After screening, four articles were included. Three studies were randomized clinical trials, and two were randomized controlled trials. The validity and reliability of the individual studies were examined. There was evidence of the higher efficacy of the GGMNB technique than that of the IANB technique. However, both techniques can be mastered through training.

Sex differences in QEEG in adolescents with conduct disorder and psychopathic traits

  • Calzada-Reyes, Ana;Alvarez-Amador, Alfredo;Galan-Garcia, Lidice;Valdes-Sosa, Mitchell
    • Annals of Clinical Neurophysiology
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    • v.21 no.1
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    • pp.16-29
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    • 2019
  • Background: Sex influences is important to understand behavioral manifestations in a large number of neuropsychiatric disorders. We found electrophysiological differences specifically related to the influence of sex on psychopathic traits. Methods: The resting electroencephalography (EEG) activity and low-resolution brain electromagnetic tomography (LORETA) for the EEG spectral bands were evaluated in 38 teenagers with conduct disorder (CD). The 25 male and 13 female subjects had psychopathic traits as diagnosed using the Antisocial Process Screening Device. All of the included adolescents were assessed using the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, Text Revision (DSM-IV-TR) criteria. The visually inspected EEG characteristics and the use of frequency-domain quantitative analysis techniques are described. Results: Quantitative EEG (QEEG) analysis showed that the slow-wave activities in the right frontal and left central regions were higher and the alpha-band powers in the left central and bitemporal regions were lower in the male than the female psychopathic traits group. The current source density showed increases in paralimbic areas at 2.73 Hz and decreases in the frontoparietal area at 9.37 Hz in male psychopathics relative to female psychopathics. Conclusions: These findings indicate that QEEG analysis and techniques of source localization can reveal sex differences in brain electrical activity between teenagers with CD and psychopathic traits that are not obvious in visual inspections.

Development of the structural health record of containment building in nuclear power plant

  • Chu, Shih-Yu;Kang, Chan-Jung
    • Nuclear Engineering and Technology
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    • v.53 no.6
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    • pp.2038-2045
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    • 2021
  • The main objective of this work is to propose a reliable routine standard operation procedures (SOP) for structural health monitoring and diagnosis of nuclear power plants (NPPs). At present, NPPs have monitoring systems that can be used to obtain the quantitative health record of containment (CTMT) buildings through system identification technology. However, because the measurement signals are often interfered with by noise, the identification results may introduce erroneous conclusions if the measured data is directly adopted. Therefore, this paper recommends the SOP for signal screening and the required identification procedures to identify the dynamic characteristics of the CTMT of NPPs. In the SOP, three recommend methods are proposed including the Recursive Least Squares (RLS), the Observer Kalman Filter Identification/Eigensystem Realization Algorithm (OKID/ERA), and the Frequency Response Function (FRF). The identification results can be verified by comparing the results of different methods. Finally, a preliminary CTMT healthy record can be established based on the limited number of earthquake records. It can be served as the quantitative reference to expedite the restart procedure. If the fundamental frequency of the CTMT drops significantly after the Operating Basis Earthquake and Safe Shutdown Earthquake (OBE/SSE), it means that the restart actions suggested by the regulatory guide should be taken in place immediately.

Complete Relaxation and Conformational Exchange Matrix (CORCEMA) Analysis of Saturation Transfer Difference (STD) NMR Spectra of Ligand-Protein Complexes

  • Krishna, N.Rama;Jayalakshmi, V.
    • Journal of the Korean Magnetic Resonance Society
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    • v.6 no.2
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    • pp.94-102
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    • 2002
  • An interesting recent application of intermolecular NOE experiment is the saturation transfer difference NMR(STD-NMR) method that is useful in screening compound libraries to identify bio-active ligands. This technique also identifies the group epitopes of the bound ligand in a reversibly forming protein-ligand complex. We present here a complete relaxation and conformational exchange matrix (CORCEMA) theory (Moseley et al., J. Magn. Reson. B, 108, 243-261 (1995)) applicable for the STD-NMR experiment. Using some ideal model systems we have analyzed the factors that influence the STD intensity changes in the ligand proton NMR spectrum when the resonances from some protons on the receptor protein are saturated. These factors will be discussed and some examples of its application in some model systems will be presented. This CORCEMA theory for STD-NMR and the associated algorithm are useful in a quantitative interpretation of the STD-NMR effects, and are likely to be useful in structure-based drug design efforts. They are also useful in a quantitative characterization of protein-protein (or protein-nucleic acid) contact surfaces from an intermolecular cross-saturation NMR experiment.

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Development of a Fire Human Reliability Analysis Procedure for Full Power Operation of the Korean Nuclear Power Plants (국내 전출력 원전 적용 화재 인간신뢰도분석 절차 개발)

  • Choi, Sun Yeong;Kang, Dae Il
    • Journal of the Korean Society of Safety
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    • v.35 no.1
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    • pp.87-96
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    • 2020
  • The purpose of this paper is to develop a fire HRA (Human Reliability Analysis) procedure for full power operation of domestic NPPs (Nuclear Power Plants). For the development of fire HRA procedure, the recent research results of NUREG-1921 in an effort to meet the requirements of the ASME/ANS PRA Standard were reviewed. The K-HRA method, a standard method for HRA of a domestic level 1 PSA (Probabilistic Safety Assessment) and fire related procedures in domestic NPPs were reviewed. Based on the review, a procedure for the fire HRA required for a domestic fire PSA based on the K-HRA method was developed. To this end, HRA issues such as new operator actions required in the event of a fire and complexity of fire situations were considered. Based on the four kinds of HFE (Human Failure Event) developed for a fire HRA in this research, a qualitative analysis such as feasibility evaluation was suggested. And also a quantitative analysis process which consists of screening analysis and detailed analysis was proposed. For the qualitative analysis, a screening analysis by NUREG-1921 was used. In this research, the screening criteria for the screening analysis was modified to reduce vague description and to reflect recent experimental results. For a detailed analysis, the K-HRA method and scoping analysis by NUREG-1921 were adopted. To apply K-HRA to fire HRA for quantification, efforts to modify PSFs (Performance Shaping Factors) of K-HRA to reflect fire situation and effects were made. For example, an absence of STA (Shift Technical Advisor) to command a fire brigade at a fire area is considered and the absence time should be reflected for a HEP (Human Error Probability) quantification. Based on the fire HRA procedure developed in this paper, a case study for HEP quantification such as a screening analysis and detailed analysis with the modified K-HRA was performed. It is expected that the HRA procedure suggested in this paper will be utilized for fire PSA for domestic NPPs as it is the first attempt to establish an HRA process considering fire effects.

Screening Assay for Identification of Endocrine Disruptors with Androgen Activities using LNCaP Cells (LNCaP 세포주를 이용한 내분비계장애물질중 안드로겐성 확인시험을 위한 검색법)

  • 김진호;정혜주;김영옥;정승태;박재현;조대현;김동섭
    • Toxicological Research
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    • v.18 no.1
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    • pp.59-64
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    • 2002
  • Substantial evidences have been accumulated about the hormone-like effects of exogenous substances such as pesticides and industrial chemicals during past years. The effects of these substances on the endocrine system are believed to be either enhancing or reducing of various endocrine action. It is necessary to identify putative causal agents by the batter system and to assess their ability to disrupt the endocrine system. A variety of in vitro and In vivo approaches have been used to determine the androgenic effects of environmental chemicals. To establish the method for assessment of the putative endocrine disruptors with androgenic activity, we carried out the cell proliferation assay by MTS method after treatment with the various concentration of testosterone in LNCaP cells (human prostatic cancer cell line) and also observed the expression of androgen-related genes by quantitative RT-PCR. In the cell proliferation assay, the results showed that the grouth of LNCaP cells increased within level of at least 10pM testosterone. We measured by quantitative RT-PCR method on the effects of testosterone on mRNA expression of androgen receptor (AR), prostate-specific antigen (PSA), bone morphogenetic protein (BMP) and BMP receptor (BMPR) In LNCaP cells. The results demonstrated that mRNA expression of PSA and BMPR-IB was observed differently within level of at least 0.01 pM testosterone compared with non-treated control. These observations suggest that the detection of PSA and BMPR-IB mRNA by the quantitative RT-PCR in LNCaP cells is very sensitive method to identify the endocrine disruptors to have the androgenic effects.