• 한국환경과학회지
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• 제7권5호
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• pp.599-605
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• 1998

The purpose of this work was to examine whether X-Y chromosome dissociation in the primary spermatocytes of mice could be used as an in vivo short-term assaying system that detect environmental mutagens. Four alkylating agents(EMS, MMS, MMC and MNNG) which were known as strong mutagens were administered to BALB/c male mice 3-4 months old. In the control group, the mean frequencies of previously dissociated X and Y chromosomes and autosomes were 7.17% and 2.12%, respectively. Compared to the control group, mutagen-treated groups have no significant differences in dissociation rate of autosomes, while these poops were about 1.2-2.5 times higher in the frequencies of X-Y dissociation. Generally, X-Y dissociation frequency increased consistently with the concentration of mutagens whereas the tendency of autosome dissociation frequency was variable among several mutagens. These results suggest that X-Y dissociation in the primary spermatocytes of mice is applicable as an vivo short-term assaying system for environmental mutagens. There were significantly distinct increase in dissociation of X-Y chromosome in both the hybrid and parents but the X-Y previous dissociation of hybrid appeared higher frequency than BALB /c and wild mice. These results indicate that the factor related to binding X-Y chromosome is specific to strains.

• Toxicological Research
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• 제11권1호
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• pp.51-55
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• 1995

The present experiment was carried out to investigate whether X and Y chromosome dissociation in the primary spermatocytes of mice can be used as an in vivo assaying system that detect environmental mutagens. For this purpose, alkylating agents (EMS, MMS and MMC), which are strong mutagens, were administered to ICR male mice 12-15 weeks old. The mean frequencies of previously dissociated X-Y chromosomes and autosomes of the control group were 7.34-7.45% and 0.92-1.04%, respectively. The frequencies of X-Y dissociation in the mutagen-treated groups with 10.0 mM EMS and 5.0 mM MMS were about 3.3-4.6 times higher than that in the control group, but there were no significant differences in dissociation of autosomes in both the control and the mutagen-treated groups. These results suggest that X-Y dissociation in the primary spermatocytes of mice can be used as an in vivo short-term assaying system for environmental mutagens.

• 한국결정성장학회지
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• 제10권3호
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• pp.185-188
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• 2000

CdTe 단결정에서 중성 받게에 구속된 엑시톤 해리를 PL 스펙트럼의 온도의존성을 측정하여 조사하였다. 12 K에서 CdTe 단결정의 자유 엑시톤의 결합 에너지는 10 meV이고,중성받게에 구속된 결합 에너지는 7.17 meV 이며, 또 중성주게에 구속된 결합 에너지는 14 meV이였다. 또한 ($A^{\circ}$, X)의 활성화 에너지의 값으로부터($A^{\circ}$, X)의 해리는 자유 엑시톤에서 해리됨을 알 수 있었다.

• Journal of Radiation Protection and Research
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• 제45권1호
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• pp.11-15
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• 2020

Background: There have been various studies to investigate the mechanisms of DNA damage from low-energy electrons. To understand the mechanism of these strand breaks, it is necessary to investigate the dissociation mechanism of the DNA constituents, that is, bases, sugars, and phosphates. Materials and Methods: We studied the dissociation of thymine base upon interaction with low-energy electrons. For this experiment, thymine powder was pressed onto the indium base and irradiated by 5 eV electrons. Results and Discussion: Non-irradiated and irradiated thymine samples were compared and analyzed using the X-ray photoelectron spectroscopic technique to analyze the dissociation patterns of the molecular bonds after low-energy electron irradiation of thymine. Conclusion: With 5 eV electron irradiation, C-C and N-C = O bonds are the primary dissociations that occur in thymine molecules.

• Bulletin of the Korean Chemical Society
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• 제26권11호
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• pp.1795-1802
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• 2005

Potential energy curves and internuclear (M-X) distance variations for dissociation reactions of $[MX_4]^{2-}$ into ($[MX_3]^-$ + $X^-$) have been calculated using ab initio Hartree-Fock (HF), second order M$\ddot{o}$ller-Plesset perturbation (MP2), and Density Functional Theory (DFT) methods with a triple zeta plus polarization (TZP) basis set. The equilibrium geometrical structures of $[MX_4]^{2-}$ are optimized to tetrahedral geometry for $[NiX_4]^{2-}$ and square planar geometry for ($[PdX_4]^{2-}$ and $[PtX_4]^{2-}$). The bond (M-X) distances of $[NiCl_4]^{2-}$, $[NiBr_4]^{2-}$, $[PdCl_4]^{2-}$, $[PdBr_4]^{2-}$, $[PtCl_4]^{2-}$, and $[PtBr_4]^{2-}$ at the DFT level are 2.258, 2.332, 2.351, 2.476, 2.367, and 2.493 $\AA$, respectively. The dissociation energies for the bond dissociation of ($[MX_3]^-$${\cdot}{\cdot}{\cdot}$$X^-$) at the DFT level are found to be 4.73 eV for $[NiCl_4]^{2-}$, 4.89 eV for $[NiBr_4]^{2-}$, 4.93 eV for $[PdCl_4]^{2-}$, 5.57 eV for $[PdBr_4]^{2-}$, 5.44 eV for $[PtCl_4]^{2-}$, and 5.87 eV for $[PtBr_4]^{2-}$. As the (M${\cdot}{\cdot}{\cdot}$X) distance of ($[MX_3]^-$${\cdot}{\cdot}{\cdot}$$X^-$) increases, the distance variation (Rt) of trans (M-X) bond at the trans-position is shorter than those (Rc) of two cis (M-X) bonds at the cisposition. Simultaneously the atomic charge variation of trans-X atom is more positive than those of equilibrium $[MX_4]^{2-}$ structures, while the variation of leaving X group is more positive.

• 한국가스학회지
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• 제19권3호
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• pp.54-59
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• 2015

가스하이드레이트(GH: Gas Hydrate)는 전 세계적으로 약 10조 톤에 이르는 엄청난 양이 대부분 해양의 대륙사면에 부존되어 있으나(동토 지역 : 2 %, 해양 대륙사면 98 %), 현재까지 가스하이드레이트 저류층으로부터 상업화할 수 있을 만큼 가스를 회수하는 기술이 개발되어 있지 않은 실정이다. 일반적으로 회수하는 방법은 감압법, 열자극법, 억제재 주입법 및 치환법 등으로 크게 나누어 볼 수 있으며, 본 연구에서는 가스하이드레이트 포화율과 감압률에 따라서 가스하이드레이트 해리시간 및 가스생산이 어떻게 달라지는 지, 그에 대한 특성을 분석하고자 하였다. 연구분석 결과 감압률과 해리시간의 상관 관계식을 도출($Y=0.0004X^2-0.499X+176.86$)할 수 있었고, 또한 감압률이 클수록 메탄생산량이 좋다는 것을 알 수 있었지만(감압률 40% 대비 50%에서 메탄가스생산량이 46.2% 향상), 감압률이 60%에서는 오히려 생산량이 줄어드는데, 이는 가스하이드레이트 재형성에 기인한 것으로 판단된다.

• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.179-183
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• 2002

Resonance-enhanced multiphoton ionization with time-of-flight product imaging of the $N(^2D)$ atoms has been used to study the $N_2O$ photodissociation at 118.2 nm and the two-photon dissociation at 268.9 nm. These imaging experiments allowed the determination of the total kinetic energy distribution of the $NO(X^2{\prod})$ and $N(^2D_{5/2})$ products. The $NO(X^2{\prod})$ fragments resulting from the photodissociation processes are produced in highly vibrationally excited states. The two-photon photodissociation process yields a broad $NO(X^2{\prod})$ vibrational energy distribution, while the 118.2 nm dissociation appears to produce a vibrational distribution sharply peaked at $NO(X^2{\prod},\;{\nu}=14)$.

• 한국전산유체공학회:학술대회논문집
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• 한국전산유체공학회 2008년도 춘계학술대회논문집
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• pp.92-95
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• 2008

We performed the theoretical calculation of CN Violet radiation using the code SPRADIAN07 to predict the Lee et al.'s experimental measurements and to reinvestigate $C_2$ dissociation rate. CN Violet radiations are calculated under the Boltzmann and non-Boltzmann distribution using two chemical reaction sets: Park-Losev-G\"{o}kcen-Tsang and Park-Losev-G\"{o}kcen-Tsang-Lee models. Our SPRADIAN07 calculations show improvement in prediction of absolute radiation intensity of CN Violet and its decay rate by Park-Losev-G\"{o}kcen-Tsang reaction set with $C_2$ dissociation rate coefficient of $k_f$ = 1.5${\times}$10$^{16}$ exp(-71,600/$T_x$) cm$^3$ mole$^{-1}$ s$^{-1}$.

• Bulletin of the Korean Chemical Society
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• 제31권8호
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• pp.2228-2234
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• 2010

Theoretical studies have been performed to study the binding characteristics of the alkali metal iodides, M-I (M = Li, Na, K), to poly(ethylene oxide) (PEO, I), poly(ethylene amine) (PEA, II) and poly(ethylene N-methylamine) (PEMA, III) via the B3LYP method. In this study, two types of complexes, singly-coordinated systems (SCS) and doubly-coordinated systems (DCS), were considered, and dissociation energies (${\Delta}E_D$) were calculated both with and without basis set superposition error (BSSE). Two types of counterpoise (CP) approach were investigated in this work, but the ${\Delta}E_D$ values corrected by using the function CP (fCP) correction exhibited an unusual trend in some cases due to deformation of the sub-units. This problem was solved by including geometry relaxation in the CP-corrected (GCP) interaction energy. On the other hand, the effects of the BSSE on the structures were very small when the complexes were re-optimized on the CP-corrected (RCP) potential energy surface (PES), even if the bond lengths between X and $M^+$ ($d_{{X-M}^+}$) and between $M^+$ and $I^-$ ($d_{M^+-I^-}$) were slightly lengthened. Therefore, neither the GCP nor RCP corrections made much difference to the dissociation energies.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2000년도 제18회 학술발표회 논문개요집
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• pp.147-147
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• 2000

Chemisorption of oxygen molecules on the Si(111)-(7x7) surface has been studied extensively as a model for the initial-stage oxidation of the surface. The basic step to the surface oxidation is the dissociation of the adsorbed O2 molecules, but the dissociation procedure and the atomic structure of the reaction products still remains as a subject of debates. We present here density-functional theory calculations on the initial-stage oxidation states of the Si adatom site for all possible dissociation configurations that can be generated by multiple O2 reactions. We determine the equilibrium structures and analyze their electronic and vibrational properties in comparison with measured UPS, XPS, and EELS spectra. The O(ad) atom bonded on top of the Si adatom is always less stable than the O(ins) atom inserted into one of the adatom backbonds. Our electronic and vibrational analysis demonstrates further that the O(ad) and O(ins) atoms account well for the metastable and stable features in previous experiments, respectively. Moreover, the calculated decay pathways of the metastable structures and the comparison of the calculated O ls core-level shifts with XPS data provides a convincing argument in unambiguously identifying the experimental metastable and stable structures, thereby making it possible to build a correct atomic-scale picture of the initial-stage oxidation process on this surface.