• Title/Summary/Keyword: Relative Stability

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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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    • v.29 no.10
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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.

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

  • 이경애
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.28 no.2
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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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Effect of Softcapsule Fill Formulation on the Stability and the Disintegration Time of Ginkgo Biloba Extract (연질캅셀 제제 처방이 은행잎 엑스의 안정성 및 붕해 시간에 미치는 영향)

  • Kim, Young Soo;Kim, Su-Dong;Yoon, Sung-Hwa
    • Applied Chemistry for Engineering
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    • v.10 no.6
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    • pp.848-851
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    • 1999
  • In order to increase the stability of Ginkgo Biloba extract, we investigated the effect of three different fill formulations(SBO, PEG400, and PEG600 fill types) on the stability of Ginkgo Biloba extract in three different shell formulations (ssmb, smb and gmb shell types). The stabilities of each types were evaluated by testing their disintegration time sunder the condition of $40^{\circ}C$, 75% relative humidity(RH) for 8 weeks. The formulation of Ginkgo Biloba extract with ssmb and PEG600 formulation type showed the best stability among them.

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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
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.21 no.2
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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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    • v.35 no.3
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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

  • Kim, Gwang-Jun
    • Journal of the Korean Society for Precision Engineering
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    • v.1 no.1
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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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An Effect of Load and Genders on Postural Stability (취급자재의 무게와 성별이 균형 능력에 미치는 영향)

  • Yang, Byoung-Hak
    • Journal of the Korea Safety Management & Science
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    • v.12 no.3
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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.

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

  • Jang, Dong-Gi;Kim, Ki-Nyun;Kim, Dong-Hwan;Seo, Kwan-Seok;Son, Moon-Joon
    • Proceedings of the Korean Geotechical Society Conference
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    • 2010.09a
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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
    • Communications of the Korean Mathematical Society
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    • v.36 no.2
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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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    • v.7 no.3
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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.