• Journal of Photoscience
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• v.3 no.3
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• pp.147-151
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• 1996

Dynamics of contact ion-pair between 1, 2, 4, 5-tetracyanobenzene anion and cation of biphenyl derivatives was investigated on the picosecond time scale. Solvent effect on the electron transfer was observed and electron transfer rates were examined using Marcus equation which contains distance dependence of the electron transfer rate in the frequency factor, along with the consideration of molecular shape. From the discussion based on disk model for molecular shape, contribution of interring torsional motion of biphenyl to the inner-sphere reorganization energy is strongly suggested, which leads to the physical explanation for the observed solvent effect on the rate of electron transfer.

• Korean Journal of Radiology
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• v.22 no.7
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• pp.1021-1033
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• 2021

Objective: To assess the expression of vascular normalization genes in different molecular subtypes of breast cancer and to determine whether molecular subtypes with a higher vascular normalization gene expression can be identified using dynamic contrast-enhanced (DCE) magnetic resonance imaging (MRI) and intravoxel incoherent motion (IVIM) diffusion-weighted imaging (DWI). Materials and Methods: This prospective study evaluated 306 female (mean age ± standard deviation, 50 ± 10 years), recruited between January 2014 and August 2017, who had de novo breast cancer larger than 1 cm in diameter (308 tumors). DCE MRI followed by IVIM DWI studies using 11 different b-values (0 to 1200 s/mm²) were performed on a 1.5T MRI system. The Tofts model and segmented biexponential IVIM analysis were used. For each tumor, the molecular subtype (according to six [I-VI] subtypes and PAM50 subtypes), expression profile of genes for vascular normalization, pericytes, and normal vascular signatures were determined using freshly frozen tissue. Statistical associations between imaging parameters and molecular subtypes were examined using logistic regression or linear regression with a significance level of p = 0.05. Results: Breast cancer subtypes III and VI and PAM50 subtypes luminal A and normal-like exhibited a higher expression of genes for vascular normalization, pericyte markers, and normal vessel function signature (p < 0.001 for all) compared to other subtypes. Subtypes III and VI and PAM50 subtypes luminal A and normal-like, versus the remaining subtypes, showed significant associations with K^trans, k_ep, v_p, and IAUGC_BN90 on DEC MRI, with relatively smaller values in the former. The subtype grouping was significantly associated with D, with relatively less restricted diffusion in subtypes III and VI and PAM50 subtypes luminal A and normal-like. Conclusion: DCE MRI and IVIM parameters may identify molecular subtypes of breast cancers with a different vascular normalization gene expression.

• Tribology and Lubricants
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• v.18 no.2
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• pp.143-146
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• 2002

The effects of contact configuration and kinematic motion on the wear of ultrahigh molecular weight polyethylene (UHMWPE) were investigated. Two different contact configurations were adopted for wear testing under the two different kinematic motions with un-irradiated UHMWPE specimens. Wear of UHMWPE pins against the linear reciprocating stainless steel disks was 8% higher than that against the uni-directional repeat pass rotating disks. Wear of UHMWPE disks moving in the linear reciprocating motion against stainless steel ball was 37% higher than that moving in the uni-directional repeat pass rotating motion. The results in this study show that the contact configuration and kinematic motion of sliding definitely affect the wear of UHMWPE through the differences in the contact stress states of UHMWPE.

• Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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• 2001.06a
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• pp.100-104
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• 2001

The effects of contact configuration and kinematic motion on the wear of ultrahigh molecular weight polyethylene (UHMWPE) were investigated. Two different contact configurations were adopted for wear testing under the two different kinematic motions with un-irradiated UHMWPE specimens. Wear of UHMWPE pins against the linear reciprocating stainless steel disks was 8% higher than that against the uni-directional repeat pass rotating disks. Wear of UHMWPE disks moving in the linear reciprocating motion against stainless steel ball was 37% higher than that moving in the uni-directional repeat pass rotating motion. The results in this study show that the contact configuration and kinematic motion of sliding definitely affect the wear of UHMWPE through the differences in the contact stress states of UHMWPE.

• Journal of the Korean Chemical Society
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• v.28 no.1
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• pp.34-40
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• 1984

The reorientational motion of $C_6F_6$ in neat liquid is investigated in the temperature range 293∼333K by analyzing ${\nu}_2$ and ${\nu}_16$ bands of its Raman spectrum. Diffusion constants for the tumbling ($D_{\bo}$) and spinning ($D_{\parallel}$) motions are determined. The reorientation of the molecule seems to be distinctly anisotropic. Based on the hydrodynamic model, the tumbling motion of the figure axis of $C_6F_6$ is largely diffusional. On the other hand, the spinning motion of the same axis looks mostly inertial.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.245-252
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• 2002

The computationally simple quantum mechanical method (VSCF-DWB-IOS) has been applied to studying the Ar-$CO_2$ vibrational predissociation phenomenon. The new methodology utilizes the vibrational self-consistent field method to determine the vibrational structure of the van der Waals complex, the distorted-wave Born approximation for dissociating process, and the infinite-order sudden approximation for the continuum dissociating product of $CO_2$. The dissociation due to the coupling of the symmetric stretching vibrational motion of $CO_2$ with the motion of the Ar van der Waals mode has been extensively investigated. The lifetimes of transient excited vibrational states, linewidths of absorption peak, and the rotational state distributions of the product, $CO_2$ have been computed. It has been found that the lifetime of the Ar-$CO_2$ in excited vibrational state is very long compared with that of triatomic van der Waals complexes and the product $CO_2$ carries a major portion of dissociation energy as a rotational energy.

• Journal of the Korean Society of Safety
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• v.6 no.3
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• pp.27-34
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• 1991

This paper is for the properties of the oxidation-proof of the partially discharged and of the molecular motion on chlorinated PE Film. this paper also shows the properties of the molecular motion of the ${\gamma}$ ray irradiated PE Film. 1 In the surface of the PE Film enforce chlorination, C-Cl be distributed up to 10 $\mu$m deep. 2. In according to the development of the chlorination, the measure of crystalization decreased and cross link occured. 3. Chlorination PE Film control the oxidation on ozone to occuratlon by partial discharge and it lost bonding chlorine. 4. in according to chlorination, ${\gamma}$ absorption in motion of CH2 main chain of PE drcreased by chlorine stbstitution.

• Journal of The Korean Astronomical Society
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• v.19 no.1
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• pp.33-49
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• 1986

Radial distribution of internal density has been determined for thirteen subclouds in the three giant molecular cloud complexes accompanying Mon OB1, Mon OB2 and CMa OB1 associations, We modeled their radial density structures with the density distribution of isothermal gas spheres. Most of the subclouds, nine out of the thirteen, are well described by isothermal spheres of single component; while the rest four require an additional component. Total mass and potential energy of each subcloud are also derived from the radial density structure; thermal energy and internal velocity dispersion required for sustaining the density structure are deduced from the isothermal gas model. Our derived masses of the clouds are comparable to the values determined by Blitz (1978) under LTE assumption. This agreement suggests that the correction factor for non-LTE effect on mass-estimate is not far from unity. The ratio of the gravitational potential energy to the kinetic energy of thermal motion is as large as 250; hence the thermal motion alone cannot support these clouds against the gravity. Being supported by turbulence motion with velocities of six to seven times the thermal velocity, the clouds of one-component type seem to be in equilibrium with the gravity; while the clouds of two-component type are likely to be in the stage of gravitational collapse.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2006.04a
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• pp.389-394
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• 2006

Fully flexible cell preserves Hamiltonian in structure, so the symplectic time integrator is applied to the equations of motion. Primarily, generalized leapfrog time integration (GLF) is applicable, but the equations of motion by GLF have some of implicit formulas. The implicit formulas give rise to a complicate calculation for coding and need an iteration process. In this paper, the time integration formulas are obtained for the fully flexible cell molecular dynamics simulation by using the splitting time integration. It separates flexible cell Hamiltonian into terms corresponding to each of Hamiltonian term, so the simple and completely explicit recursion formula was obtained. The explicit formulas are easy to implementation for coding and may be reduced the integration time because they are not need iteration process. We are going to compare the resulting splitting time integration with the implicit generalized leapfrog time integration.

• Bulletin of the Korean Chemical Society
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• v.19 no.10
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• pp.1068-1072
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• 1998

We present results of molecular dynamic (MD) simulations for the segmental motion of liquid n-butane as the base case for a consistent study for conformational transition from one rotational isomeric state to another in long chains of liquid n-alkanes. The behavior of the hazard plots for n-butane obtained from our MD simulations are compared with that for n-butane of Brownian dynamics study. The MD results for the conformational transition of n-butane by a Poisson process form the total first passage times are different from those from the separate t-g and g-t first passage times. This poor agreement is probably due to the failure of the detailed balance between the fractions of trans and gauche. The enhancement of the transitions t-g and g-t at short time regions are also discussed.