• Title/Summary/Keyword: Watson equation

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The Effect of Water in Four Adenine-Thymine and Three Guanine-Cytosine Pairs: Combining Quantum and Statistical Mechanics

  • Lee, Jinkeong;Ham, Sihyun
    • Proceeding of EDISON Challenge
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    • 2015.03a
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    • pp.151-155
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    • 2015
  • The molecular interactions between the nucleic acid bases and water molecules are important in organism. Despite Adenine-Thymine Hoogsteen base pair and Guanine-Cytosine Watson-Crick base pair have been demonstrated to be most stable in a gas phase, the effect of water on the stability of these base pairs remains elusive. Here we report the structural and thermodynamic characteristics on possible Adenine-Thymine and Guanine-Cytosine base pairs in a gas phase as well as in an aqueous phase by using quantum mechanical method and statistical mechanical calculations. First, we optimized the direct base-pair interaction energies of four Adenine-Thymine base pairs (Hoogsteen base pair, reverse Hoogsteen base pair, Watson-Crick base pair, and reverse Watson-Crick base pair) and three Guanine-Cytosine base pairs (GC1 base pair, GC2 base pair, and Watson Crick base pair) in a gas phase at the $B3LYP/6-31+G^{**}$ level. Then, the effect of solvent was quantified by the electronic reorganization energy and the solvation free energy by statistical mechanical calculations. Thereby, we discuss the effect of water on the stability of Adenine-Thymine and Guanine-Cytosine base pairs, and argue why Adenine-Thymine Watson-Crick base pair and Guanine-Cytosine Watson-Crick base pair are most stable in an aqueous environment.

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A Proposal of a Correlation of the Enthalpy of Vaporization for Pure Substances and Performance Comparison of Correlations (순수물질에 대한 증발엔탈피 상관식의 제안 및 성능비교)

  • Lee, Kyoung-Youl;Park, Kyoung-Kuhn
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.17 no.12
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    • pp.1185-1191
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    • 2005
  • Published correlation equations of the enthalpy of vaporization are reviewed and a new four-parameter correlation equation is proposed. Performance of the proposed equation is examined using the ASHRAE data for 22 pure substance refrigerants as reference data. The new equation yields an average absolute deviation of $0.05\%$, which is smaller than those of published equations, such as equations of Guermouche-Vergnaund $(0.08\%)$, Aerebrot $(0.13\%)$, Radoz-Lydersen $(0.08\%)$, and Somayajulu $(0.08\%)$. The three adjustable parameters of the modified correlation are optimized and reported for 22 substances. The equation proposed in this work is valid over the entire temperature range where data points exist.

A methodology for assessing fatigue life of a countersunk riveted lap joint

  • Li, Gang;Renaud, Guillaume;Liao, Min;Okada, Takao;Machida, Shigeru
    • Advances in aircraft and spacecraft science
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    • v.4 no.1
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    • pp.1-19
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    • 2017
  • Fatigue life prediction of a multi-row countersunk riveted lap joint was performed numerically. The stress and strain conditions in a highly stressed substructure of the joint were analysed using a global/local finite element (FE) model coupling approach. After validation of the FE models using experimental strain measurements, the stress/strain condition in the local three-dimensional (3D) FE model was simulated under a fatigue loading condition. This local model involved multiple load cases with nonlinearity in material properties, geometric deformation, and contact boundary conditions. The resulting stresses and strains were used in the Smith-Watson-Topper (SWT) strain life equation to assess the fatigue "initiation life", defined as the life to a 0.5 mm deep crack. Effects of the rivet-hole clearance and rivet head deformation on the predicted fatigue life were identified, and good agreement in the fatigue life was obtained between the experimental and the numerical results. Further crack growth from a 0.5 mm crack to the first linkup of two adjacent cracks was evaluated using the NRC in-house tool, CanGROW. Good correlation in the fatigue life was also obtained between the experimental result and the crack growth analysis. The study shows that the selected methodology is promising for assessing the fatigue life for the lap joint, which is expected to improve research efficiency by reducing test quantity and cost.

Estimation of Fatigue Damage Due to Rolling Contact in a Railway Wheel Using FEM Analysis (유한요소법을 이용한 철도 차륜에서 구름 접촉으로 인한 피로손상 평가)

  • Lee, Sang-Hoon;Kim, Ho-Kyung
    • Journal of the Korean Society of Safety
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    • v.26 no.3
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    • pp.1-7
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    • 2011
  • Fatigue damage on the train wheel surface was estimated by considering the effect of friction coefficient of rolling on the contact surface between the wheel and rail during operation. From FEM analys, the maximum Tresca stress was 550.7 MPa at a depth of 2.07 mm under the maximum contact pressure ($P_{max}$ = 894.3 MPa) between wheel and rail. The maximum stress continued to increase along with the increase in the frictional coefficient. The fatigue initiation lifetime of the wheel by the rolling contact was predicted using the Smith-Watson-Topper (SWT) equation and the maximum principal strain equation (${\varepsilon}$-N).

A Study on the Change of Contrast Sensitivity with Breath Alcohol Concentration in Various Luminance (다양한 휘도에서 호흡 알코올 농도에 따른 대비감도 변화 연구)

  • Nam, Soo-Kyung;Jung, Su A;Kim, Hyun Jung
    • Journal of Korean Ophthalmic Optics Society
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    • v.19 no.4
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    • pp.505-511
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    • 2014
  • Purpose: This study was to investigate the effect of breath alcohol concentration (BrAC) increase with drinking alcohol on contrast sensitivity in the conditions of restricted BrAC. Methods: 23 males in 20s (average age $21.17{\pm}2.19$ years, body mass index (BMI) $22.09{\pm}2.16$) were selected and administered the amount of alcohol to reach 0.05% and 0.08% BrAC calculated by BAC (blood alcohol concentration) Dosing Software program, which was developed as basis of Watson's formula. Then, the contrast sensitivity in various luminance conditions (photopic, mesopic, and mesopic with glare) was measured and compared between these conditions. Results: The contrast sensitivity in all spatial frequency was decreased with BrAC increase. Although BrAC was increased, the peak of contrast sensitivity didn't change as 6 cycle per degree (cpd) in the photopic condition and 3 cpd in the mesopic condition, respectively. But, in the mesopic condition with glare, the peak of contrast sensitivity was shifted from 6 cpd at 0% and 0.05% BrAC to 3 cpd at 0.08% BrAC with increase of alcohol concentration. Conclusions: The increase of BrAC by drinking alcohol induces the decrease of contrast sensitivity in all spatial frequency and the shift of peak of contrast sensitivity, which can cause safety accidents, and may have an effect on various visual tasks.

Changes in Visual Acuity and Values of Objective Refraction with Breath Alcohol Concentration (호흡 알코올 농도에 따른 시력과 타각적 굴절검사 값의 변화)

  • Jung, Su A;Nam, Soo-Kyung;Kim, Hyun Jung
    • Journal of Korean Ophthalmic Optics Society
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    • v.20 no.2
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    • pp.187-193
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    • 2015
  • Purpose: This study was aimed to investigate effects of increased breath alcohol concentration (BrAC) which is the standard measurement of alcohol consumption in sobriety test under current laws on visual acuity and values of objective refraction. Methods: For twenty three males in 20s (average age $21.17{\pm}2.19$ years, body mass index (BMI) $22.09{\pm}2.16$) were selected. Distance and near visual test was performed at BrAC of 0%, 0.05% and 0.08%, and objective refraction with open-field auto-refractometer was also performed at different BrAC. Results: As breath alcohol concentration is increased, distance visual acuity was decreased, which was statistically significant, but near visual acuity was not changed. Also, values of objective refraction tended to be increased towards minus as breath alcohol concentration is increased. Conclusions: As breath alcohol concentration is increased, corrected visual acuity is decreased and refractive power is towards minus, it is necessary that visual acuity test and refraction measurement should be conducted under sober condition.

The Influence of Macroeconomics Variables on Sportainment Industry - Case Study Using the Stock Price Changes of Nike, Adidas - (거시경제요인이 스포테인먼트 산업에 미치는 영향 - NIKE, Adidas 기업 주가를 중심으로 -)

  • Kim, Hun-Il
    • Journal of Korea Entertainment Industry Association
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    • v.15 no.5
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    • pp.99-113
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    • 2021
  • This study to verify the influence of the macroeconomic factors to sportainment industry and also to find the value of use. For this, 'Dow Jones Industrial Average (DJIA)', 'West Texas intermediate (WTI)', and 'Gold Price (GP)' were selected from macroeconomic factors, and the 'Stock Price' of NIKE and Adidas for sportainment industry factor. The transaction data for 20 years (5,285 trade days) were analyzed through a two-step extraction process. Durbin-Watson regression analysis was performed to prove the influence and predict. From these analyses, the first, the Macroeconomics factors were found to have a significant effect on the sportainment industry. The second, each different levels of regression equations were found by the time setting, the environmental characteristics of each time period, and mutual relation between factors. Finally, it was found that the regression equation between specific period can be used for the future prediction in sportainment industry.

Physiological effects of biocide on marine bivalve blue mussels in context prevent macrofouling

  • Haque, Md Niamul;Kwon, Sung-Hyun
    • Journal of Ecology and Environment
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    • v.40 no.3
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    • pp.136-143
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    • 2016
  • Background: Mussels are stubborn organisms attached to solid substrata by means of byssus threads. The abundance of marine mussel Mytilus edulis in marine facilities like power stations was reason to select among fouling animals. Methods: Mortality patterns as well as physiological behavior (oxygen consumption, foot activity, and byssus thread production) of two different size groups (14- and 25-mm shell length) of M. edulis were studied at different hydrogen peroxide concentrations ($1-4mg\;l^{-1}$). Results: Studied mussels showed progressive reduction in physiological activities as the hydrogen peroxide concentration increased. Mussel mortality was tested in 30 days exposure, and 14 mm mussels reached the highest percentage of 90% while 25 mm mussels reached 81%. Produced data was echoed by Chick-Watson model extracted equation. Conclusions: This study points that, while it could affect the mussel mortality moderately in its low concentrations, hydrogen peroxide has a strong influence on mussels' physiological activities related to colonization. Therefore, hydrogen peroxide can be an alternative for preventing mussel colonization on facilities of marine environment.

Propagation of non-uniformly modulated evolutionary random waves in a stratified viscoelastic solid

  • Gao, Q.;Howson, W.P.;Watson, A.;Lin, J.H.
    • Structural Engineering and Mechanics
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    • v.24 no.2
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    • pp.213-225
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    • 2006
  • The propagation of non-uniformly modulated, evolutionary random waves in viscoelastic, transversely isotropic, stratified materials is investigated. The theory is developed in the context of a multi-layered soil medium overlying bedrock, where the material properties of the bedrock are considered to be much stiffer than those of the soil and the power spectral density of the random excitation is assumed to be known at the bedrock. The governing differential equations are first derived in the frequency/wave-number domain so that the displacement response of the ground may be computed. The eigen-solution expansion method is then used to solve for the responses of the layers. This utilizes the precise integration method, in combination with the extended Wittrick-Williams algorithm, to obtain all the eigen-solutions of the ordinary differential equation. The recently developed pseudo-excitation method for structural random vibration is then used to determine the solution of the layered soil responses.

Development of the Patient Caring Communication Scale (환자 돌봄 의사소통 측정 도구 개발)

  • Heo, Myoung Lyun;Im, Sook Bin
    • Journal of Korean Academy of Nursing
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    • v.49 no.1
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    • pp.80-91
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    • 2019
  • Purpose: This study attempted to develop a scale that measures the level of patients' recognition of the nurses' care, based on Watson's caring theory, and confirmed its reliability and validity. Methods: The items were developed through a literature review and an expert content validity test. The questionnaires were administered to 285 inpatients of internal medicine and surgical units at two general hospitals. Construct validity was tested using exploratory and confirmatory factor analysis, and reliability was tested using Cronbach's alpha. Results: This process resulted in a preliminary scale composed of 34 items; We used item analysis and five exploratory factor analyses, and consequently selected 14 items composed of three factors (respect, genuineness, and relationality). The confirmatory factor analysis verified the model fit and convergent and discriminant validity of the final items; criterion validity was confirmed with the positive correlation with the measurement scale of the patient-perceived quality of nursing. The overall scale reliability had a Cronbach's alpha of .92, which indicated internal consistency and reliability. Conclusion: The developed scale showed content, construct, and criterion validity, and reliability, as well as convergent validity for each item and discriminant validity between the factors. This makes it suitable for use in a diverse range of future studies on nurse communication using structural equation models.