• 제목/요약/키워드: Relative stability

검색결과 913건 처리시간 0.032초

DFT Conformational Study of Calix[5]arene and Calix[4]arene: Hydrogen Bond

  • Kim, Kwang-Ho;Park, Seong-Jun;Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • 제29권10호
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    • pp.1893-1897
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    • 2008
  • We have performed DFT calculations to investigate the conformational characteristics and hydrogen bonds of the p-tert-butylcalix[5]arene (1) and p-tert-butylcalix[4]arene (2). The structures of different conformers of 1 were optimized by using B3LYP/6-31+G(d,p) method. The relative stability of the various conformers of 1 is in the following order: cone (most stable) > 1,2-alternate > partial-cone > 1,3-alternate. The relative stability of four conformers of 2 is in the following order: cone (most stable) > partial-cone > 1,2-alternate > 1,3-alternate. The primary factor affecting the relative stabilities of the various conformers of the 1 and 2 are the number and strength of the intramolecular hydrogen bonds. The hydrogen-bond distances are discussed based on different calculation methods.

리베틴에 존재하는 난황항제의 소화효소에 대한 저항성 (Resistance of Hen항s Egg Yolk Immunoglobulins in Livetin to Digestive Enzymes)

  • 이경애
    • 한국식품영양과학회지
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    • 제28권2호
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    • pp.438-443
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    • 1999
  • A livetin solution(LS) containing yolk immunoglobulins(IgY) was separated by treating the egg yolk with natural gum, carrageenan. Carrageenan has been used as a food ingredient. Relative absorbance of IgY LS after proteolysis was investigated. IgY LS was fairly stable to pepsin digestion at pH 3.0. However, IgY LS appeared to be susceptible to pepsin digestion at pH 2.0, showing 18% of relative absorbance and complete breakdown H chain after 30 min exposure. Relative absorbance of IgY LS was considerably high after exposure to trypsin and chymotrypsin for 8 hr. IgY LS showed especially good stability to chymotrypsin digestion.

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연질캅셀 제제 처방이 은행잎 엑스의 안정성 및 붕해 시간에 미치는 영향 (Effect of Softcapsule Fill Formulation on the Stability and the Disintegration Time of Ginkgo Biloba Extract)

  • 김영수;김수동;윤성화
    • 공업화학
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    • 제10권6호
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    • pp.848-851
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    • 1999
  • 은행잎 엑스의 안정성을 증가시키기 위하여, 세 가지 다른 형태의 충진제(SBO, PEG400, PEG600 처방 형태)를 세 가지 다른 형태의 캅셀 피막제(ssmb, smb, gmb 처방 형태)에 충진하여 연질캅셀을 제조하고 이들 처방이 은행잎 엑스의 안정성에 미치는 효과를 연구하였다. 각 형태의 안정성은 $40^{\circ}C$, 75% relative humidity(RH) 조건에서 8주간 그들의 붕해시간 및 함량 측정으로 평가하였다. 시험한 충진제 및 캅셀 피막제 중, PEG600 충진처방과 ssmb 피막처방을 사용한 은행잎 엑스가 가장 좋은 안정성을 나타내었다.

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Mesh Stability Study for the Performance Assessment of a Deep Geological Repository Using APro

  • Hyun Ho Cho;Hong Jang;Dong Hyuk Lee;Jung-Woo Kim
    • 방사성폐기물학회지
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    • 제21권2호
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    • pp.283-294
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    • 2023
  • APro, developed in KAERI for the process-based total system performance assessment (TSPA) of deep geological disposal systems, performs finite element method (FEM)-based multiphysics analysis. In the FEM-based analysis, the mesh element quality influences the numerical solution accuracy, memory requirement, and computation time. Therefore, an appropriate mesh structure should be constructed before the mesh stability analysis to achieve an accurate and efficient process-based TSPA. A generic reference case of DECOVALEX-2023 Task F, which has been proposed for simulating stationary groundwater flow and time-dependent conservative transport of two tracers, was used in this study for mesh stability analysis. The relative differences in tracer concentration varying mesh structures were determined by comparing with the results for the finest mesh structure. For calculation efficiency, the memory requirements and computation time were compared. Based on the mesh stability analysis, an approach based on adaptive mesh refinement was developed to resolve the error in the early stage of the simulation time-period. It was observed that the relative difference in the tracer concentration significantly decreased with high calculation efficiency.

Effects of Microsolvating Water on the Stability of Zwitterionic vs. Canonical Diglycine

  • Kim, Ju-Young;Won, Gang-Yeon;Lee, Sungyul
    • Bulletin of the Korean Chemical Society
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    • 제35권3호
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    • pp.798-804
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    • 2014
  • We present calculations for diglycine - $(H_2O)_n$ (n = 0-3) to examine the effects of microsolvating water on the relative stability of the zwitterionic vs. canonical forms of the dipeptide. We calculate the structures, energies and Gibbs free energies of the conformers at wB97XD/6-311++G** and MP2/aug-cc-pvdz levels of theory level of theory. We predict that microsolvation by up to three water molecules does not give thermodynamic stability of the zwitterion relative to the canonical forms. Our calculations also suggest that zwitterionic diglycine - $(H_2O)_3$ is not stable kinetically in low temperature gas phase environment.

스토케스틱 방법에 의한 공작기계의 안정성 해석

  • 김광준
    • 한국정밀공학회지
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    • 제1권1호
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    • pp.34-49
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    • 1984
  • The stability of machine tool systems is analyzed by considering the machining process as a stochastic process without decomposing into machine tool structural dynamics and cutting processes. In doing so the time series analysis technique developed by Wu and Pandit is applied systematically to the relative vibration between cutting tool and work- piece measured under actual working conditions. Various characteristic properties derived from the fitted ARMA(Autoregressive Moving Average) Models and those from raw data directly are investigated in relation with the system stability. Both damping ratio and absolute value of the characteristic roots of the AR part of the most significant dynamic mode are preferred as stability indicating factors to the other pro-perties such as theoretical variance .gamma. (o) or absolute power of the most dominant dynamic mode. Maximum aplitude during a certain interval and variance estimated from raw data are shown to be very sensi- tive to the type of the signal and the location of measurement point although they can be obtained rather easily. The relative vibration signal is also analyzed by FFT(Fast Fourier Transform) Analyzer for the purpose of comparison with the spectrums derived from the fitted ARMA models.

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취급자재의 무게와 성별이 균형 능력에 미치는 영향 (An Effect of Load and Genders on Postural Stability)

  • 양병학
    • 대한안전경영과학회지
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    • 제12권3호
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    • pp.101-106
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    • 2010
  • The purposes of this paper are to investigate an effect of weight of material and gender on postural stability and to introduce formulas for those. There were five levels of weights 0, 9, 18, 27 and 36 kg, and two levels of genders were conducted. Eight male and five female subjects participated in this experiment, ten tests were performed for each level of weights to measure the postural stability by using the stability platform. The effect of the genders and the load on the postural stability were statistically analysed by the two way ANOVA test and the regression analysis. The ANOVA test showed that the effect of weights was statistically significant on postural stability to the both male and female subjects. And the postural stability of female subjects was better than that of male subjects. A linear regression formula for the balancing time and the load and a formula for the reduction rate postural stability and the relative load were introduced by the regression analysis.

새만금 방수제 축조사면의 안정성 검토를 위한 실험적 분석 (An Experimental Analysis for the Stability Investigation of Slope on Saemangeum Lake Dykes)

  • 장동기;김기년;김동환;서관석;손문준
    • 한국지반공학회:학술대회논문집
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    • 한국지반공학회 2010년도 추계 학술발표회
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    • pp.687-697
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    • 2010
  • This study was designed to carry out studies on critical seepage velocity and critical hydraulic gradient using a piping test targeting SM and ML which are widely distributed ahead of and behind the depth of E.L(-)10m in Saemangeum area in order to examine stability of embankment built on the ground vulnerable to piping. The effects of relative densities on critical hydraulic gradient and critical velocity were also compared and analyzed using empirical formula and theoretical formula, and relative densities were set up as respectively 9%, 25%, 50%, and 75% for this experiment. As a result, for critical hydraulic gradient, most of specimens detected piping at lower values than the empirical formula of Terzaghi(1922). It is, therefore, considered that the empirical formula devised by Kalin(1977) or Hayashi(1978) is more reasonable to be conservative. It was also found that critical velocity decreased as relative density increased, and critical velocity predicted was mostly lower than the theoretical formula.

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SOME FREDHOLM THEORY RESULTS AROUND RELATIVE DEMICOMPACTNESS CONCEPT

  • Chaker, Wajdi;Jeribi, Aref;Krichen, Bilel
    • 대한수학회논문집
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    • 제36권2호
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    • pp.313-325
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    • 2021
  • In this paper, we provide a characterization of upper semi-Fredholm operators via the relative demicompactness concept. The obtained results are used to investigate the stability of various essential spectra of closed linear operators under perturbations belonging to classes involving demicompact, as well as, relative demicompact operators.

Combined effect of glass and carbon fiber in asphalt concrete mix using computing techniques

  • Upadhya, Ankita;Thakur, M.S.;Sharma, Nitisha;Almohammed, Fadi H.;Sihag, Parveen
    • Advances in Computational Design
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    • 제7권3호
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    • pp.253-279
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    • 2022
  • This study investigated and predicted the Marshall stability of glass-fiber asphalt mix, carbon-fiber asphalt mix and glass-carbon-fiber asphalt (hybrid) mix by using machine learning techniques such as Artificial Neural Network (ANN), Support Vector Machine (SVM) and Random Forest(RF), The data was obtained from the experiments and the research articles. Assessment of results indicated that performance of the Artificial Neural Network (ANN) based model outperformed applied models in training and testing datasets with values of indices as; coefficient of correlation (CC) 0.8492 and 0.8234, mean absolute error (MAE) 2.0999 and 2.5408, root mean squared error (RMSE) 2.8541 and 3.3165, relative absolute error (RAE) 48.16% and 54.05%, relative squared error (RRSE) 53.14% and 57.39%, Willmott's index (WI) 0.7490 and 0.7011, Scattering index (SI) 0.4134 and 0.3702 and BIAS 0.3020 and 0.4300 for both training and testing stages respectively. The Taylor diagram also confirms that the ANN-based model outperforms the other models. Results of sensitivity analysis show that Carbon fiber has a major influence in predicting the Marshall stability. However, the carbon fiber (CF) followed by glass-carbon fiber (50GF:50CF) and the optimal combination CF + (50GF:50CF) are found to be most sensitive in predicting the Marshall stability of fibrous asphalt concrete.