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mPW1PW91 Calculated Conformational Study of Calix[n]arene (n = 4,5,6): Hydrogen Bond (캘릭스[n]아렌(n = 4,5,6)의 이형체들의 상대적인 안정성과 수소결합에 대한 양자역학적 계산연구)

  • Kim, Kwang-Ho;Choe, Jong-In
    • Journal of the Korean Chemical Society
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    • v.53 no.6
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    • pp.640-652
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    • 2009
  • We have performed mPW1PW91 calculations to investigate the conformational characteristics and hydrogen bonds of p-tert-butylcalix[4]arene (1), p-tert-butylcalix[5]arene (2), calix[6]arene (3) and p-tertbutylcalix[6]arene (4). The structures of the different conformers of 1-3 were optimized by using mPW1PW91/6-31+G(d,p) method. The relative stability of the four conformers of 1 is in the following order: cone (most stable) > partial-cone > 1,2-alternate > 1,3-alternate. The relative stability of the conformers of 2 is in the following order: cone (most stable) > 1,2-alternate > partial-cone > 1,3-alternate. The relative stability of the various conformers of 3 is in the following order: cone (pinched: most stable) > partial-cone > cone (winged) - 1,2-alternate - 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. The structures of the various conformers of 4 were optimized by using the mPW1PW91/6-31G(d,p) method followed by single point calculation of mPW1PW91/6-31+G(d,p). The relative stability of the conformers of 4 is in the following order: cone (pinched) > 1,2-alternate > cone (winged) > 1,4-alternate - partial-cone > 1,2,3-alternate > 1,3,5-alternate > 1,3-alternate. The primary factor affecting the relative stabilities of the various conformers of the 1-4 are the number and strength of the intramolecular hydrogen bonds. The hydrogen-bond distances are discussed based on two different calculation methods (B3LYP and mPW1PW91).

The effect of supportive nursing care on the quality of life and self-esteem of persons with rheumatoid arthritis (지지간호가 만성질환자의 삶의 질과 자존감에 미치는 효과 -류마티스양 관절염을 중심으로-)

  • 김명자;송경애
    • Journal of Korean Academy of Nursing
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    • v.21 no.3
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    • pp.323-338
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    • 1991
  • This study investigated the effect of supportive nursing care including modified guided imagery on the discomfort, self- esteem, erythrocyte semdimentation rate(ESR) and quality of life(Q. L.) in persons with rheumatoid arthritis (R. A.). The purpose was to contribute to the development of theoretical nursing care to enhance the Q. L. of persons with chronic illness. From Nov. 22, 1990 to May 2, 1991, 49 patients registered at a rheumatic clinic at one general hospital in Seoul, were accepted according to the research criteria as subjects for this study. Among these, 26 were selected for an experimental group to he treated with an interpersonal interview and modified guided imagery, the other 23 became the control group not treated for the purpose of measuring and comparing the effect of the treatment. Statistical analysis was done by a SAS program for X$^2$-test, unpaired t -test, Pearson correlation coefficients and factor analysis. The results were as follows : 1. The pre-experimental discomfort level of the total subject group averaged 25.42(S. D. =8.77), and the difference between the pre /post experimental discomfort levels of the two groups was not statistically significant. 2. The pre - experimental self- esteem scores of the total subject group averaged 27.48(S. D. =3.95), and the difference between the pre /post experimental self -esteem scores of the two groups was not statistically significant. 3. The pre - experimental Q. L. scores of the total subject group averaged 28.70(S. D. =5.99), and the difference between the pre /post experimental Q. L. score of the two groups was statistically significant (t=2.1748, df=47, p= .0347), 4. The pre - experimental mean of the ESR of the total subject group was 34.48(S. D. =19.50) mm, and the difference between the pre /post expeimental ESR scores of the two groups was not statistically significant. 5. The Family support scores of the total subject group averaged 41.28(S. D. =10.27). 6. The total subject group 0.L. score was correlated with self-exteem score (r= .3984, p= .0046). In this study, supportive nursing care including modified guided imagery increased the quality of life scores for this group of persons with R. A. significantly. So the concept of supportive nursing care of this study may be effective in enhancing the quality of life persons with chronic illness. Further investigations related to the methodology and with other groups of clients was recommended.

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Estimation of Genetic Parameter for Linear Type Traits in Holstein Dairy Cattle in Korea (Holstein종 젖소의 선형심사형질에 대한 유전모수추정)

  • Lee, Ki-Hwan;Sang, Byung-Chan;Nam, Myoung-Soo;Do, Chang-Hee;Choi, Jae-Gwan;Cho, Kawng-Hyun
    • Journal of Animal Science and Technology
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    • v.51 no.5
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    • pp.345-352
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    • 2009
  • This study utilized 332,625 records of linear type scores consisting for 15 primary traits, 22,175 final score and 84,612 pedigree information of 22,175 Holstein cows from 1993 to 2007 in Korea to estimate genetic parameters for 16 type traits. Genetic and error (co)variances between two traits selected from 16 traits were estimated using bi-trait pairwise analyses with DFREML package. The estimated heritabilities for stature (ST), strength (STR), body depth (BD), dairy form (DF), rump angle (RA), thurl width (TW), rear legs side view (RLSV), foot angle (FA), fore udder attachment (FUA), rear udder height (RUH), rear udder width (RUW), udder cleft (UC), udder depth (UD), front teat placement (FTP), front teat length (FTL) and final score (FS) were 0.31, 0.21, 0.25, 0.10, 0.29, 0.19, 0.09, 0.06, 0.12, 0.13, 0.12, 0.08, 0.26, 0.20, 0.28 and 0.15, respectively. ST had the highest positive genetic correlation with BD (0.90), while RLSV had the highest negative genetic correlation with FA (-0.56). RA had negative genetic correlation with most udder traits (-0.17~-0.02). Especially, RUW had the higher positive genetic correlation with STR (0.60), BD (0.62), and TW (0.49), however, UD had the higher negative genetic correlation with STR (-0.40) and BD (-0.40). FTL had negative genetic correlation with FUA, RUH, RUW, UC and UD. FS had positive genetic correlation with UC, UD and FTP (0.12, 0.18 and 0.20). However, additional research is needed on the use of these parameters in the genetic evaluation because estimated genetic and error variance-covariance matrices were not positive definite.

Content characteristics of persistent organic pollutants waste from paint, iron making and steel making process (국내 도료 및 제철·제강산업 발생 폐기물 중 잔류성 유기오염물질류의 함량 특성 -PCDD/DFs, PAHs, PCBs-)

  • Kim, Dong-Un;Kim, Woo-Il;Kang, Young-Yeul;Lee, Dong-Jin;Jeong, Seong-Kyeong;Cho, Yoon-A;Yeon, Jin-Mo;Shin, Sun-Kyoung;Oh, Gil-Jong
    • Analytical Science and Technology
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    • v.24 no.5
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    • pp.395-400
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    • 2011
  • This study has been carried out in order to effectively manage three groups of unregulated hazardous organic substances (PCDD/DFs, PAHs, PCBs) in South Korea. The investigated substances have been analyzed according to the test methods for hazardous substances in specified wastes provided by the National Institute of Environmental Research, Korea. Total contents of the organic compounds have been determined for hazardous wastes from three major industrial categories (paint, iron removal, steelmaking), such as waste organic solvent, waste paint or dust. By investigating the waste samples for 7 PAHs using GC/MSD, Naphthalene has been detected (N.D~1631.33 mg/kg). The highest Naphthalene concentration, which exceeded the korean marine dumping waste standard, was found in waste organic solvents and waste paints. Although a content analysis of 7 PCB isomers has been conducted, none of these compounds was detected. The analysis of PCDD/DFs has revealed that all samples meet the criterion for low POP content defined in the technical guidelines developed under the Basel Convention. The PCDD/DFs content in dust samples deriving from 10 manufacturing processes (billet, bloom) was determined to be in the range of N.D~5.66 ng I-TEQ/g waste.

Nutrient Requirements of Exercising Swamp Buffalo, Bubalus bubalis. II. Details of Work Energy of Cows and Its Relation to Heart Rate

  • Mahardika, I.G.;Sastradipradja, D.;Sutardi, T.;Sumadi, I.K.
    • Asian-Australasian Journal of Animal Sciences
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    • v.13 no.7
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    • pp.1003-1009
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    • 2000
  • Four young swamp buffalo cows of similar age ranging in body weight (W) between 280 to 380 kg and trained for doing physical exercise were used in two consecutive experiments, each using a latin square design, to determine energy expenditure for draught. The experiments consisted of field trials using 4 levels of work load, i.e. no work as control and loads amounting 450 to 500 Newton (N) continuous traction for respectively 1, 2 and 3 h daily for 14 consecutive days for experiment 1, and no work, traction loads equaling 5, 10 and 15% of W for 3 h daily for 14 days for experiment 2. Heart rate during rest and exercise was monitored using PE-3000 HR monitor. Cows were fed only king grass (Penisetum purpuroides) ad libitum and were subjected to balance trials. Body composition was estimated in vivo by the body density method and daily energy expenditure (EE) was calculated from ME minus RE. RE was calculated from the changes in body-protein and -fat measured before and immediately after the 14 d experimental period assuming an energy equivalent of 39.32 MJ/kg fat and 20.07 MJ/kg protein. $E_{exercise}$ ($EE_{work}\;-\;EE_{resting}$), which was the energy spent for doing the traction during 1, 2 and 3 h was 7.13, 15.45 and 19.90 MJ, respectively. $EE_{work}$ for the 1 h treatment group was 39.75 MJ/d equivalent to 1.30 times $EE_{resting}$. The values for the 2 and 3 h treatment groups were 1.75 and 1.86 times resting energy requirement, respectively. Absolute efficiency of work in all exercise trials of experiment 2 was around 27.28%. The increases of daily $E_{exercise}$ values were correlated to elevation of heart rate (HR) according to the equation $E_{exercise}=(0.270HR^{0.363}\;-\;1)$ MJ, while draught force related to heart rate according to the equation DF (N)=6.66 HR - 361.62. Blood glucose and triglyceride levels were gradually elevated with time during the course of exercise. Mean values of blood glucose were 91.7, 115.0 and 116.2 mg/dl for cows after 1, 2 and 3 h pulling loads at 15% W respectively as compared to 88.2 mg/dl prior to work. In the same order and treatment, mean blood triglyceride concentrations were 13.5, 13.3 and 14.8 mg/dl, and 11.5 mg/dl for control. For blood lactate, the values were 1.68, 1.63 and 1.66 mM, and 0.80 mM for control. Glucose was used as the major source of energy during the initial phase of exercise, but for prolonged work, fat will replace carbohydrate as the main substrate. Accumulation of lactate persisted for some time at the end of the exercise trials.

Design, fabrication and test of a taper-type half-wave superconducting cavity with the optimal beta of 0.15 at IMP

  • Yue, Weiming;Zhang, Shengxue;Li, Chunlong;Jiang, Tiancai;Liu, Lubei;Wang, Ruoxu;Huang, Yulu;Tan, Teng;Guo, Hao;Zaplatin, Evgeny;Xiong, Pingran;Wu, Andong;Wang, Fengfeng;Zhang, Shenghu;Huang, Shichun;He, Yuan;Yao, Zeen;Zhao, Hongwei
    • Nuclear Engineering and Technology
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    • v.52 no.8
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    • pp.1777-1783
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    • 2020
  • As a part of R&D work for the high intensity proton linac of China Accelerator Driven Sub-critical System project, a superconducting half-wave cavity with a frequency of 162.5 MHz and an optimal beta of 0.15 (HWR015) has been developed at Institute of Modern Physics (IMP), Chinese Academy of Sciences. In this paper, the design and test results will be described in detail. We introduced a new stiffening strategy for the HWR cavity, the simulation results show that the cavity has much lower frequency sensitivity coefficient (df/dp), Lorentz force detuning coefficient (KL), and can achieve more stable mechanical properties. The performance of the HWR cavity operated in cryostat will be also reported.

Analysis of University Students' Innovativeness and Adoption Intention of Academic Convergence by using LISREL (리즈렐을 이용한 대학생의 혁신성향과 융합학문 수용의도에 대한 분석)

  • Yoo, Sang-mi
    • The Journal of the Institute of Internet, Broadcasting and Communication
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    • v.20 no.2
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    • pp.289-297
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    • 2020
  • The purpose of this study is to verify the effect of university students's innovativeness on adoption intention of academic convergence. For this objectives, the Structural Equation Model(SEM) was designed and analysed by using Lisrel. This study developed a research model, based upon TAM, to analyse the factors: personal innovativeness, social expectation, perceived usefulness and adoption intention of academic convergence. The main results are follows as: first, personal innovativeness showed a significant positive direct effect on adoption intention of academic convergence, and indirect effect through perceived usefulness on it. Second, through perceived usefulness, there was indirect effect between social expectation and adoption intention of academic convergence. The SEM in this study showed the statistical significance, which the model fit was χ2=22.638(df=29, p=.793). Based upon the result of analyses, the study suggested to develop the subject and non-subject educational program through which students experience innovativeness and usefulness for academic convergence. Especially, the change of the role and the task of the curriculum of liberal arts was.

Performance Analysis of Direction Finding Systems Using EM Simulation-based Array Manifolds (EM 시뮬레이션 기반의 어레이 매니폴드를 이용한 방향 탐지 시스템 성능 분석)

  • Kim, Jae-Hwan;Cho, Chihyun
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.23 no.10
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    • pp.1166-1172
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    • 2012
  • In this paper, by using a commercial EM simulator, we could obtain the array manifold which are phase responses of an array antenna for the incident plane wave and then verified the effectiveness of methodology after comparing with the measurement. The result shows that the array manifold can be calculated including not only the phase response of the ideal point sources but also the influences of the mutual coupling between antennas and the installed platform. Also it can exclude the interference of strong broadcasting signal and the disturbance of the multipath in the calibration process. Finally, to predict the performances of direction finding systems, a novel method using both the EM simulation-based receiving signal and the sparsely sampled array manifold with the parabolic estimation is proposed. This method can be utilized in the various fields of direction-finding since it shows the superior predictive performance even in low SNR conditions.

Estimation of Direct and Service Sire Genetic Parameters for Reproductive Traits in Yorkshire

  • Kim, B.W.;Kim, S.D.;Lee, I.J.;Chung, K.H.;Kwon, O.S.;Ha, J.K.;Lee, J.G.
    • Asian-Australasian Journal of Animal Sciences
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    • v.15 no.9
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    • pp.1232-1236
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    • 2002
  • Direct and service sire genetic parameters for total number of pigs born (TNB), number of pigs born alive (NBA), total pig weight at birth (TWB), and average pig birth weight (ABW) were estimated by DF-REML under a multiple trait animal model. Data on 3,078 litters of the Yorkshire from Jan, 1975 to Dec, 1998 at National Livestock Research Institute were obtained. The animal model included fixed contemporary group effects and random additive direct, service sire, and residual effects. Additive genetic relationships among animals were included. A separate relationship matrix for service sires and their sire was also included. Additive direct heritability estimates for TNB, NBA, TWB, and ABW were 0.19, 0.18, 0.25 and 0.39, respectively. Service sire heritability estimates for TNB, NBA, TWB, and ABW were 0.02, 0.01, 0.02 and 0.01, respectively. The genetic and phenotypic correlations of TNB with NBA estimated in this study were 0.81 and 0.81, respectively, and the genetic and phenotypic correlations of TNB with TWB estimated were 0.82 and 0.76, respectively. Results indicate that service sires account for 1 to 2% of the total variation for TNB, NBA, TWB, and ABW. Further investigation is needed to determine whether the service sire effect is primarily genetic or environmental.

Cytotoxicity Assessment of Shellfishes from Domestic Fish Market (국내에서 시판중인 조개류의 세포독성 평가)

  • Kim, Young-Sang;Jayawardena, Thilina U.;An, Lu Yu;Je, Jun-Geon;Nagahawatta, D.P.;Liyanage, N.M.;Jeon, You-Jin
    • Journal of Marine Bioscience and Biotechnology
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    • v.12 no.2
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    • pp.108-114
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    • 2020
  • A variety of shellfish species sold for human consumption are available for purchase in the domestic fish market. The microalgae families inhabit the ocean, where planktons supply the main nutritional resource for the growth of shellfish. Some phytoplanktons produce toxic compounds that are accumulated in shellfish and ultimately cause toxicity in humans. This article reports the cytotoxicity of commercially available shellfish species. Accordingly, hot water extract (HWE) and an aqueous fraction of 50% methanol extract (MEE-AF) showed no significant cytotoxicity on the two cell lines (i.e., HL-60 and Vero cell lines), but 50% methanol extract (MEE) in 3, 6 samples showed 50% cytotoxic effects on HL-60 cells, and 1, 4 samples showed 40%, 20% cytotoxic effects on Vero cells, respectively. In addition, their consequential dichloromethane fractions (MEE-DF) exhibited significant toxicities at the highest concentration (1,000 ㎍/ml) on HL-60 and Vero cells. Since the shellfish samples showed cytotoxicity in the dichloromethane fraction, it is possible that the dichloromethane fraction contains marine toxins. Further research will be needed to identify the toxic components from each sample.