• Journal of the Korean Chemical Society
• /
• v.34 no.1
• /
• pp.37-43
• /
• 1990

An effect of the spin-orbit coupling interaction of ligand orbitals and the intermixing │3d 〉and│4p > transition metal atomic orbitals on the ground state for a 3$d^9$ system in a strong crystal field of tetragonally distorted tetrahedral symmetry that belongs to the $D_{2d}$ point group has been investigated in this work, applying the degenerate perturbation theory. An LCAO-MO analysis in terms of the known energies of the d-d transitions for the tetragonally distorted $CuCl_4^{2-}$ ion in a single crystal of$Cs_2CuCl_4$shows that the covalent mixing of Cu 3d and ligand Cl 3p orbitals decreases dramatically with increasing Cu 4p contribution. The extent of effect on the energy level splitting for the ground state by the spin-orbit coupling interaction of ligand orbitals decreases significantly in orderTEX>$\Gamma_7(E)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_7(E)$.

• Journal of Korean Society of Steel Construction
• /
• v.20 no.1
• /
• pp.21-31
• /
• 2008

response surface method (RSM) is widely used to evaluate th e extremely smal probability of ocurence or toanalyze the reliability of very complicated structures. Althoug h Monte-Carlo Simulation (MCS) technique can evaluate any system, the procesing time of MCS dependson the reciprocal num ber of the probability of failure. The stochastic finite element method could solve thislimitation. However, it is limit ed to the specific program, in which the mean and coeficient o f random variables are programed by a perturbation or by a weigh ted integral method. Therefore, it is not aplicable when erequisite programing. In a few number of stage analyses, RSM can construct a regresion model from the response of the c omplicated structural system, thus, saving time and efort significantly. However, the acuracy of RSM depends on the dist ance of the axial points and on the linearity of the limit stat e functions. To improve the convergence in exact solution regardl es of the linearity limit of state functions, an improved adaptive response surface method is developed. The analyzed res ults have ben verified using linear and quadratic forms of response surface functions in two examples. As a result, the be st combination of the improved RSM techniques is determined and programed in a numerical code. The developed linear adapti ve weighted response surface method (LAW-RSM) shows the closest converged reliability indices, compared with quadratic form or non-adaptive or non-weighted RSMs.

• Molecules and Cells
• /
• v.40 no.2
• /
• pp.109-116
• /
• 2017

Soybean agglutinin (SBA) is an anti-nutritional factor of soybean, affecting cell proliferation and inducing cytotoxicity. Integrins are transmembrane receptors, mediating a variety of cell biological processes. This research aims to study the effects of SBA on cell proliferation and cell cycle progression of the intestinal epithelial cell line from piglets (IPEC-J2), to identify the integrin subunits especially expressed in IPEC-J2s, and to analyze the functions of these integrins on IPEC-J2 cell cycle progression and SBA-induced IPEC-J2 cell cycle alteration. The results showed that SBA lowered cell proliferation rate as the cell cycle progression from G0/G1 to S phase (P < 0.05) was inhibited. Moreover, SBA lowered mRNA expression of cell cycle-related gene CDK4, Cyclin E and Cyclin D1 (P < 0.05). We successfully identified integrins ${\alpha}2$, ${\alpha}3$, ${\alpha}6$, ${\beta}1$, and ${\beta}4$ in IPEC-J2s. These five subunits were crucial to maintain normal cell proliferation and cell cycle progression in IPEC-J2s. Restrain of either these five subunits by their inhibitors, lowered cell proliferation rate, and arrested the cells at G0/G1 phase of cell cycle (P < 0.05). Further analysis indicated that integrin ${\alpha}2$, ${\alpha}6$, and ${\beta}1$ were involved in the blocking of G0/G1 phase induced by SBA. In conclusion, these results suggested that SBA lowered the IPEC-J2 cell proliferation rate through the perturbation of cell cycle progression. Furthermore, integrins were important for IPEC-J2 cell cycle progression, and they were involved in the process of SBA-induced cell cycle progression alteration, which provide a basis for further revealing SBA anti-proliferation and anti-nutritional mechanism.

• Journal of the Korean Society of Propulsion Engineers
• /
• v.25 no.1
• /
• pp.1-11
• /
• 2021

POGO is a dynamic axial instability phenomenon that occurs in liquid-propelled rockets. As the natural frequencies of the fuselage and those of the propellant supply system become closer, the entire system will become unstable. To predict POGO, the propellant (oxidant and fuel) tank in the first stage is modeled as a shell element, and the remaining components, the engine and the upper part, are modeled as mass-spring, and structural analysis is performed. The transmission line model is used to predict the pressure and flow perturbation of the propellant supply system. In this paper, the closed-loop transfer function is constructed by integrating the fuselage structure and fluid modeling as described above. The pogo suppressor consists of a branch pipe and an accumulator that absorbs pressure fluctuations in a passive manner and is located in the middle of the propellant supply system. The design parameters for its design optimization to suppress the decay phenomenon are set as the diameter, length of the branch pipe, and accumulator. Multiple-objective function optimization is performed by setting the energy minimization of the closed loop transfer function in terms of to the mass of the pogo suppressor and that of the propellant as the objective function.

• The Korean Journal of Pesticide Science
• /
• v.14 no.4
• /
• pp.319-325
• /
• 2010

To understand the influences of the substituents ($R_1{\sim}R_4$) on insecticidal activity of N'-phenyl-N-methylformamidine analogues (1~22) against two spotted spider mite (Tetranychus urticae), comparative molecular field analysis (CoMFA) model and comparative molecular similarity indices analysis (CoMSIA) model as three dimensional quantitative structure-activity relationships (3D-QSARs) model were derived and discussed quantitatively. From the results, the correlativity and predictability ($r^2{_{cv.}}=0.575$ and $r^2{_{ncv.}}=0.945$) of the CoMFA 1 model were higher than those of the rest models. The the CoMFA 1 and CoMSIA 1 model with the sensitivity of the perturbation and the prediction produced ($d_q{^{2'}}/dr^2{_{yy}}=1.071{\sim}1.146$ & $q^2=0.545{\sim}0.626$) by a progressive scrambling analysis were not dependent on chance correlation. The insecticidal activities from the optimized CoMFA 1 model were depend upon the steric field (62.5%), electrostatic field (28.9%), and hydrophobic field (8.6%) of N'-phenyl-N-methylformamidine analogues. Therefore, the inhibitory activities with optimized CoMFA 1 model were dependent upon steric factor. From the contour maps of the optimized models, it is predicted that the structural distinctions that contribute to the insecticidal activity will be able to applied new potent insecticides design.

• Analytical Science and Technology
• /
• v.7 no.2
• /
• pp.213-224
• /
• 1994

Several isotopomers of cyclooctanone were prepared by selective deuterium substitution. Intrinsic isotope effects on $^{13}C$ NMR chemical shifts of these isotopomers were investigated systematically at low temperature. These istope effects were discussed in relation to the preferred boat-chair conformation of cyclooctanone. Deuterium isotope effects on NMR chemical shifts have been known for a long time. Especially in a conformationally mobile molecule, isotope perturbation could affect NMR signals through a combination of isotope effects on equilibria and intrinsic effects. The distinction between intrinsic and nonintrinsic effects is quite difficult at ambient temperature due to involvement of both equilibrium and intrinsic isotope effects. However if equilibria between possible conformers of cyclooctanone are slowed down enough on the NMR time scale by lowering temperature, it should be possible to measure intrinsic isotope shifts from the separated signals at low temperature. $^{13}C$ NMR has been successfully utilized in the study on molecular conformation in solution when one deals with stable conformers or molecules were rapid interconversion occurs at ambient temperature. The study of dynamic processes in general requires analysis of spectra at several temperature. Anet et al. did $^1H$ NMR study of cyclooctanone at low temperature to freeze out a stable conformation, but were not able initially to deduce which conformation was stable because of the complexity of alkyl region in the $^1H$ NMR spectrum. They also reported the $^1H$ and $^{13}C$ NMR spectra of the $C_9-C_{16}$ cycloalkanones with changing temperature from $-80^{\circ}C$ to $-170^{\circ}C$, but they did not report a variable temperature $^{13}C$ NMR study of cyclooctanone. For the analysis of the intrinsic isotope effect with relation to cylooctanone conformation, $^{13}C$ NMR spectra are obtained in the present work at low temperatures (up to $-150^{\circ}C$) in order to find the chemical shifts at the temperature at which the dynamic process can be "frozen-out" on the NMR time scale and cyclooctanone can be observed as a stable conformation. Both the ring inversion and pseudorotational processes must be "frozen-out" in order to see separate resonances for all eight carbons in cyclooctanone. In contrast to $^1H$ spectra, slowing down just the ring inversion process has no apparent effects on the $^{13}C$ spectra because exchange of environments within the pairs of methylene carbons can still occur by the pseudorotational process. Several isotopomers of cyclooctanone were prepared by selective deuterium substitution (fig. 1) : complete deuterium labeling at C-2 and C-8 positions gave cyclooctanone-2, 2, 8, $8-D_4$ : complete labeling at C-2 and C-7 positions afforded the 2, 2, 7, $7-D_4$ isotopomer : di-deuteration at C-3 gave the 3, $3-D_2$ isotopomer : mono-deuteration provided cyclooctanone-2-D, 4-D and 5-D isotopomers : and partial deuteration on the C-2 and C-8 position, with a chiral and difunctional case catalyst, gave the trans-2, $8-D_2$ isotopomer. These isotopomer were investigated systematically in relation with cyclooctanone conformation and intrinsic isotope effects on $^{13}C$ NMR chemical shifts at low temperature. The determination of the intrinsic effects could help in the analysis of the more complex effects at higher temperature. For quantitative analysis of intrinsic isotope effects, the $^{13}C$ NMR spectrum has been obtained for a mixture of the labeled and unlabeled compounds because the signal separations are very small.

• Korean Journal of Optics and Photonics
• /
• v.16 no.3
• /
• pp.182-190
• /
• 2005

The fiber Raman amplifier(FRA) is a distinctly advantageous technology. Due to its wider, flexible gain bandwidth, and intrinsically lower noise characteristics, FRA has become an indispensable technology of today. Various FRA modeling methods, with different levels of convergence speed and accuracy, have been proposed in order to gain valuable insights for the FRA dynamics and optimum design before real implementation. Still, all these approaches share the common platform of coupled ordinary differential equations(ODE) for the Raman equation set that must be solved along the long length of fiber propagation axis. The ODE platform has classically set the bar for achievable convergence speed, resulting exhaustive calculation efforts. In this work, we propose an alternative, highly efficient framework for FRA analysis. In treating the Raman gain as the perturbation factor in an adiabatic process, we achieved implementation of the algorithm by deriving a recursive relation for the integrals of power inside fiber with the effective length and by constructing a matrix formalism for the solution of the given FRA problem. Finally, by adiabatically turning on the Raman process in the fiber as increasing the order of iterations, the FRA solution can be obtained along the iteration axis for the whole length of fiber rather than along the fiber propagation axis, enabling faster convergence speed, at the equivalent accuracy achievable with the methods based on coupled ODEs. Performance comparison in all co-, counter-, bi-directionally pumped multi-channel FRA shows more than 102 times faster with the convergence speed of the Average power method at the same level of accuracy(relative deviation < 0.03dB).