• Bulletin of the Korean Chemical Society
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• 제16권2호
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• pp.112-120
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• 1995

The conformational study on malonic acid, hydrogen malonate, malonate, malonyl methyl sulfide, and malonyl methyl sulfide anion, as the model compounds of malonyl-CoA, was carried out using the semiempirical MO methods (MNDO, AM1, and PM3) and hydration shell model. On the whole, the feasible conformations of malonic acid, hydrogen malonate, and malonate seem to be similar to each other. In malonic acid and malonate, two carboxyl groups are nearly perpendicular to the plane of the carbon skeleton, despite of different orientation of two carboxyl groups themselves. In particular, two carboxyl groups of hydrogen malonate are on the plane formed by carbon atoms with an intramolecular hydrogen bond. The calculated results on the geometry and conformation of three compounds are reasonably consistent with those of X-ray and spectroscopic experiments as well as the previous calculations. The orientation of two carbonyl groups of malonyl methyl sulfide is quite similar to that of malonic acid, but different from that of its anion. Especially, the computed probable conformations of the sulfide anion by the three methods are different from each other. The role of hydration seems not to be crucial in stabilizing the overall conformations of malonic acid, hydrogen malonate, malonate, and malonyl methyl sulfide. However, the probable conformations of the unhydrated sulfide anion obtained by the MNDO and AM1 methods become less stabilized by including hydration. The AM1 method seems to be appropriate for conformational study of malonyl-CoA and its model compounds because it does not result in the formation of too strong hydrogen bonds and significant change in conformational energy from one compound to another.

• 대한의용생체공학회:의공학회지
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• 제37권2호
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• pp.90-103
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• 2016

본 연구는 유한 요소 법을 이용한 노화되어 강성/강도가 저하되는 요추 체의 얇은 피질과 해면 골의 하중 분담 비율 분석과 사용된 탄성계수들의 평가가 목적이다. 해면 골의 나은 해석을 위하여, 20년마다 압축 시험에서 얻은 탄성계수를 체적 공극 비율로 나눈 유효 탄성계수를 사용하였다. 이와 상응하는 피질 쉘도 공극 비율을 포함한 빔 이론의 수식들로부터 유효 탄성계수를 구한 후에 적용하였다. 또한 p-요소를 사용하여 수치 오차를 최소화하였다. 보고된 논문들을 참고하여 후관절 부분이 제거된 매개 변수적인 퇴행된 L3 척추 형상을 만들어 유한 요소 모델링 하였다. 일정 변위의 압축 조건을 가한 후에 여덟 조각의 부피 별로 각 뼈에서 탄성 변형률 에너지와 수직 하중의 비율을 사용하여 하중 분담 비율을 계산하였다. 결과로는 1) 20대에서 80대까지 해면 골의 하중 비율은 55%에서 49%로 감소하였다; 2) 피질 쉘은 중간 면에서 최고 비율을, 해면 골은 종판에서 최고 비율을 나타냈다; 3) 다공성 얇은 피질과 해면 골을 위한 유효 탄성계수의 사용은 적절하였다; 4) 두 방법을 이용하여 얻은 하중 분담 비율의 차이는, 전체 비율은 1% 미만 내에서 같지만 각 위치에서의 비율 값들은 약간 달랐다.

• Fibers and Polymers
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• 제7권4호
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• pp.389-397
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• 2006

The beneficial effects of graduated compression stockings (GCS) in prophylaxis and treatment of venous disorders of human lower extremity have been recognized. However, their pressure functional performances are variable and unstable in practical applications, and the exact mechanisms of action remain controversial. Direct surface pressure measurements and indirect material properties testing are not enough for fully understanding the interaction between stocking and leg. A three dimensional (3D) biomechanical mathematical model for numerically simulating the interaction between leg and GCS in dynamic wear was developed based on the actual geometry of the female leg obtained from 3D reconstruction of MR images and the real size and mechanical properties of the compression stocking prototype. The biomechanical solid leg model consists of bones and soft tissues, and an orthotropic shell model is built for the stocking hose. The dynamic putting-on process is simulated by defining the contact of finite relative sliding between the two objects. The surface pressure magnitude and distribution along the different height levels of the leg and stress profiles of stockings were simulated. As well, their dynamic alterations with time processing were quantitatively analyzed. Through validation, the simulated results showed a reasonable agreement with the experimental measurements, and the simulated pressure gradient distribution from the ankle to the thigh (100:67:30) accorded with the advised criterion by the European committee for standardization. The developed model can be used to predict and visualize the dynamic pressure and stress performances exerted by compression stocking in wear, and to optimize the material mechanical properties in stocking design, thus, helping us understand mechanisms of compression action and improving medical functions of GCS.

• 한국가스학회지
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• 제25권6호
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• pp.14-21
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• 2021

-162℃ 초저온 상태의 LNG를 저장하는 저장탱크의 내조는 균열과 같은 결함에 대한 구조 건전성 평가가 필요하다. 전통적인 파괴역학 관점에서는 응력확대계수 K, J-적분 그리고 CTOD를 이용한 단일 매개변수 평가가 주로 수행되어왔다. 그러나 실제 구조에서 발생되는 균열선단은 구조물의 크기, 시편형상 그리고 인장과 굽힘과 같은 하중의 형태에 따라 구속효과의 차이로 인한 영향이 발생하게 된다. 단일 매개변수 파괴역학을 보완하기 위해 다양한 시도가 있었고, 대표적으로 Q-응력법이 있다. 본 논문에서는 비선형 탄성영역의 균열선단 응력장 평가에 적합한 J적분에 Q응력을 유도하여 2 매개변수 접근법을 사용하고자 한다. SENB 시편의 균열비 0.1~0.7 그리고 광폭시편 균열비 0.2~0.6에 시편 균열선단의 응력을 J-Q 평가법을 이용하여 구속효과를 정량적으로 평가 하였다.

• Journal of Periodontal and Implant Science
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• 제36권2호
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• pp.531-554
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• 2006

Oral implants must fulfill certain criteria arising from special demands of function, which include biocompatibility, adequate mechanical strength, optimum soft and hard tissue integration, and transmission of functional forces to bone within physiological limits. And one of the critical elements influencing the long-term uncompromise functioning of oral implants is load distribution at the implant- bone interface, Factors that affect the load transfer at the bone-implant interface include the type of loading, material properties of the implant and prosthesis, implant geometry, surface structure, quality and quantity of the surrounding bone, and nature of the bone-implant interface. To understand the biomechanical behavior of dental implants, validation of stress and strain measurements is required. The finite element analysis (FEA) has been applied to the dental implant field to predict stress distribution patterns in the implant-bone interface by comparison of various implant designs. This method offers the advantage of solving complex structural problems by dividing them into smaller and simpler interrelated sections by using mathematical techniques. The purpose of this study was to evaluate the stresses induced around the implants in bone using FEA, A 3D FEA computer software (SOLIDWORKS 2004, DASSO SYSTEM, France) was used for the analysis of clinical simulations. Two types (external and internal) of implants of 4.1 mm diameter, 12.0 mm length were buried in 4 types of bone modeled. Vertical and oblique forces of lOON were applied on the center of the abutment, and the values of von Mises equivalent stress at the implant-bone interface were computed. The results showed that von Mises stresses at the marginal. bone were higher under oblique load than under vertical load, and the stresses were higher at the lingual marginal bone than at the buccal marginal bone under oblique load. Under vertical and oblique load, the stress in type I, II, III bone was found to be the highest at the marginal bone and the lowest at the bone around apical portions of implant. Higher stresses occurred at the top of the crestal region and lower stresses occurred near the tip of the implant with greater thickness of the cortical shell while high stresses surrounded the fixture apex for type N. The stresses in the crestal region were higher in Model 2 than in Model 1, the stresses near the tip of the implant were higher in Model 1 than Model 2, and Model 2 showed more effective stress distribution than Model.