• Title/Summary/Keyword: Second derivative

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Synthesis and pH-Dependent Micellization of Sulfonamide-Modified Diblock Copolymer

  • Pal Ravindra R.;Kim Min Sang;Lee Doo Sung
    • Macromolecular Research
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    • v.13 no.6
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    • pp.467-476
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    • 2005
  • The main objective of this study was to develop and characterize pH-sensitive biodegradable polymeric materials. For pH-sensitivity, we employed three kinds of moieties: 2-amino-3-(lH-imidazol-4-yl)-propionic acid (H), N-[4-( 4,6-dimethyl-pyrimidin-2ylsulfamoyl)-phenyl]succinamic acid (SM), and 2- {3-[ 4-( 4,6-dimethyl-pyrim­idin- 2-ylsulfamoyl)-phenylcarbamoyl]-propionylamino} -3-(3 H - imidazol-4-yl)-propionic acid (SH). The pH -sensitive diblock copolymers were synthesized by ring opening polymerization and coupling reaction from poly(ethylene glycol) (MPEG), $\varepsilon$-caprolactone (CL), D,L-lactide (LA) and pH-sensitive moieties. The pH-sensitive SH molecule was synthesized in a two-step reaction. The first step involved the synthesis of SHM, a methyl ester derivative of SH, by coupling reaction of SM and L-histidine methyl ester dihydrochloride, whereas the second step involved the hydrolysis of the same. The synthesized SM, SHM and SH molecules were characterized by FTIR, $^{1}H$-NMR and $^{13}C$-NMR spectroscopy, whereas diblock copolymers and pH-sensitive diblock copolymer were characterized by $^{1}H$-NMR and GPC analysis. The critical micelle concentrations were determined at various pH conditions by fluorescence technique using pyrene as a probe. The micellization and demicellization studies of pH-sensitive diblock copolymers were also done at different pH conditions. The pH-sensitivity was further established by acid-based titration and DLS analysis.

Molecular Dynamics Free Energy Simulation Study to Rationalize the Relative Activities of PPAR δ Agonists

  • Lee, Woo-Jin;Park, Hwang-Seo;Lee, Sangyoub
    • Bulletin of the Korean Chemical Society
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    • v.29 no.2
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    • pp.363-371
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    • 2008
  • As a computational method for the discovery of the effective agonists for PPARd, we address the usefulness of molecular dynamics free energy (MDFE) simulation with explicit solvent in terms of the accuracy and the computing cost. For this purpose, we establish an efficient computational protocol of thermodynamic integration (TI) that is superior to free energy perturbation (FEP) method in parallel computing environment. Using this protocol, the relative binding affinities of GW501516 and its derivatives for PPARd are calculated. The accuracy of our protocol was evaluated in two steps. First, we devise a thermodynamic cycle to calculate the absolute and relative hydration free energies of test molecules. This allows a self-consistent check for the accuracy of the calculation protocol. Second, the calculated relative binding affinities of the selected ligands are compared with experimental IC50 values. The average deviation of the calculated binding free energies from the experimental results amounts at the most to 1 kcal/mol. The computational efficiency of current protocol is also assessed by comparing its execution times with those of the sequential version of the TI protocol. The results show that the calculation can be accelerated by 4 times when compared to the sequential run. Based on the calculations with the parallel computational protocol, a new potential agonist of GW501516 derivative is proposed.

Risk Assessment for a Bridge System Based upon Response Surface Method Compared with System Reliability (체계신뢰성 평가와 비교한 응답면기법에 의한 교량시스템의 위험성평가)

  • Cho, Tae-Jun;Moon, Jae-Woo;Kim, Jong-Tae
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2007.04a
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    • pp.295-300
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    • 2007
  • Probabilistic Risk Assessment considering statistically random variables is performed for the preliminary design of a Arch Bridge. Component reliabilities of girders have been evaluated using the response surfaces of the design variables at the selected critical sections based on the maximum shear and negative moment locations. Response Surface Method (RSM) is successfully applied for reliability analyses for this relatively small probability of failure of the complex structure, which is hard to be obtained by Monte-Carlo Simulations or by First Order Second Moment Method that can not easily calculate the derivative terms of implicit limit state functions. For the analysis of system reliability, parallel resistance system composed of girders is changed into parallel series connection system. The upper and lower probabilities of failure for the structural system have been evaluated and compared with the suggested prediction method for the combination of failure modes. The suggested prediction method for the combination of failure modes reveals the unexpected combinations of element failures in significant]y reduced time and efforts compared with the previous permutation method or system reliability analysis method.

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A Study on the Numerical Methodologies of Hydroelasticity Analysis for Ship Springing Problem (스프링잉 응답을 위한 유탄성 해석의 수치기법에 대한 연구)

  • Kim, Yoo-Il;Kim, Kyong-Hwan;Kim, Yong-Hwan
    • Journal of the Society of Naval Architects of Korea
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    • v.46 no.3
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    • pp.232-248
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    • 2009
  • Numerical methodology to solve ship springing problem, which is basically fluid-structure interaction problem, was explored in this study. Solution of this hydroelasticity problem was sought by coupling higher order B-spline Rankine panel method and finite element method in time domain, each of which is introduced for fluid and structure domain respectively. Even though varieties of different combinations in terms of numerical scheme are possible and have been tried by many researchers to solve the problem, no systematic study regarding the characteristics of each scheme has been done so far. Here, extensive case studies have been done on the numerical schemes especially focusing on the iteration method, FE analysis of beam-like structure, handling of forward speed problem and so on. Two different iteration scheme, Newton style one and fixed point iteration, were tried in this study and results were compared between the two. For the solution of the FE-based equation of motion, direct integration and modal superposition method were compared with each other from the viewpoint of its efficiency and accuracy. Finally, calculation of second derivative of basis potential, which is difficult to obtain with accuracy within grid-based method like BEM was discussed.

Nonlinear Vortical Forced Oscillation of Floating Bodies (부유체의 대진폭 운동에 기인한 동유체력)

  • 이호영;황종흘
    • Journal of the Society of Naval Architects of Korea
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    • v.30 no.2
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    • pp.86-97
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    • 1993
  • A numerical method is developed for the nonlinear motion of two-dimensional wedges and axisymmetric-forced-heaving motion using Semi-Largrangian scheme under assumption of potential flows. In two-dimensional-problem Cauchy's integral theorem is applied to calculate the complex potential and its time derivative along boundary. In three-dimensional-problem Rankine ring sources are used in a Green's theorem boundary integral formulation to salve the field equation. The solution is stepped forward numerically in time by integrating the exact kinematic and dynamic free-surface boundary condition. Numerical computations are made for the entry of a wedge with a constant velocity and for the forced harmonic heaving motion from rest. The problem of the entry of wedge compared with the calculated results of Champan[4] and Kim[11]. By Fourier transform of forces in time domain, added mass coefficient, damping coefficient, second harmonic forces are obtained and compared with Yamashita's experiment[5].

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Thermal Characteristics of Polyvinylchloride in Combustion Reaction Using TGA (TGA를 이용한 폴리염화비닐의 연소반응에서의 열적 특성 연구)

  • Seo, Su-Eun;Kang, Yun-Jin;Min, Cho-Young;Bae, Dong-Chul;Kang, Kyung-Sik
    • Journal of the Korea Safety Management & Science
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    • v.11 no.3
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    • pp.217-226
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    • 2009
  • The combustion reaction of polyvinylchloride(PVC) was investigated using a thermogravimetric technique under an air atmosphere condition at several heating rates from 10 to $50^{\circ}C$/min. To obtain information on the kinetic parameters, the dynamic thermogravimetric analysis curve and its derivative were analyzed by a variety of analytical methods such as Kissinger, Friedman, Chatterjee-Conrad, Ozawa and Coats-Redfern methods. The combustion reaction of PVC proceeded in two steps; the first step was caused by the dehydrochlorination process in PVC, and the second step by the combustion of polyene. The comparative works for the kinetic results obtained from various methods should be performed to determine the kinetic parameters, because there are tremendous differences in the calculated kinetic parameters depending upon the mathematical method taken in the analysis.

Discrimination of Herbal Medicine According to Geographical Origin (Korea, China) Using Near Infrared Reflectance Spectroscopy (근적외선 분광분석법을 이용한 생약의 원산지 판별)

  • Woo, Young-Ah;Cho, Chang-Hee;Kim, Hyo-Jin;Cho, Jung-Hwan;Cho, Kyung-Kye
    • YAKHAK HOEJI
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    • v.42 no.4
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    • pp.359-363
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    • 1998
  • Near infrared reflectance spectroscopy (NIRS) was applied for discrimination according to geographical origin (Korea, China) of herb drugs. Herbal medicine has an important role in clinical therapy in Asian countries such as Korea and China. The objective of this study is to provide a convenient and accurate method to determinate geographical origin (Korea, China) of herbal medicine for quality control whose quality is generally different according to geographical origin. A rapid, nondestructive and accurate discrimination was achieved by NIRS. Second derivative spectra of herb drugs were subjected to discriminant analysis. Herbal medicine drugs such as Cassia Semen, Ganoderma and Smilacis Rhizoma was discriminated accurately according to geographical origin using PLS regression method.

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The Characteristics of Edge Detection in Blurring Images by the Hybrid Functions for Local Scale Control (Local Scale변화에 대한 하이브리드 함수의 블러링 명상의 에지검출 특성)

  • 오승환;서경호;김태효
    • Journal of the Institute of Convergence Signal Processing
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    • v.2 no.1
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    • pp.53-62
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    • 2001
  • In this paper, the hybrid function by local scale control is proposed to detect the optimal edges from blurred images. In the case of image capturing, some blurring is occurred by the characteristics of the illumination and the reflected light. During processing the blurred image, it is difficult to detect perfect edges. This algorithm proposed a new hybrid function which is merged Gaussian function and the second derivative of Gaussian function. And it detects the optimal edges applying directional edge detection by Canny algorithm as the scale factor of $\sigma$ in the given local mask has been changed after convolving the hybrid function for input image. In the result, the performance is confirmed that this algorithm is better than Sobel, Robert and Canny edge detector by analyzing the some test images. And the results is obtained 0.2 ㏈ ~ 14 ㏈ of PSNR than those conventional method.

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Dynamic Modeling and Control of Directional Control Valve Using Piezostack Actuator (압전 작동기를 이용한 방향 제어 밸브의 동적 모델링 및 제어)

  • Jeon, Jun-Cheol;Han, Young-Min;Nguyen, Quoc Hung;Choi, Seung-Bok
    • Transactions of the Korean Society for Noise and Vibration Engineering
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    • v.22 no.10
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    • pp.1020-1026
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    • 2012
  • This paper proposes a new type of high-frequency directional valve controlled by the piezostack actuator associated with displacement amplifier. As a first step, a dynamic model of directional valve which can operate at 200 Hz with a flow rate of 12 litter/min is derived by considering pressure drop and flow force. As a second step, an appropriate piezostack is selected by considering actuation force as well as field-dependent displacement. Subsequently, in order to control spool displacement and flow rate a proportional-derivative(PD) controller is designed based on the 3rd-order valve system. Control performances such as sinusoidal trajectory tracking of the spool displacement in time domain are evaluated. In addition, the field-dependent flow rate is also presented to verify the required performance of the valve system.

INEQUALITIES FOR THE ANGULAR DERIVATIVES OF CERTAIN CLASSES OF HOLOMORPHIC FUNCTIONS IN THE UNIT DISC

  • Ornek, Bulent Nafi
    • Bulletin of the Korean Mathematical Society
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    • v.53 no.2
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    • pp.325-334
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    • 2016
  • In this paper, a boundary version of the Schwarz lemma is investigated. We take into consideration a function $f(z)=z+c_{p+1}z^{p+1}+c_{p+2}z^{p+2}+{\cdots}$ holomorphic in the unit disc and $\|\frac{f(z)}{{\lambda}f(z)+(1-{\lambda})z}-{\alpha}\|$ < ${\alpha}$ for ${\mid}z{\mid}$ < 1, where $\frac{1}{2}$ < ${\alpha}$ ${\leq}{\frac{1}{1+{\lambda}}}$, $0{\leq}{\lambda}$ < 1. If we know the second and the third coefficient in the expansion of the function $f(z)=z+c_{p+1}z^{p+1}+c_{p+2}z^{p+2}+{\cdots}$, then we can obtain more general results on the angular derivatives of certain holomorphic function on the unit disc at boundary by taking into account $c_{p+1}$, $c_{p+2}$ and zeros of f(z) - z. We obtain a sharp lower bound of ${\mid}f^{\prime}(b){\mid}$ at the point b, where ${\mid}b{\mid}=1$.