• Bulletin of the Korean Chemical Society
• /
• v.33 no.5
• /
• pp.1638-1642
• /
• 2012

A series of poly (lactic acid) (PLA) and poly (ethylene glycol) (PEG) tri and multiblock copolymers with relatively high molecular weights were synthesized through the coupling reaction between the bis(acyl chloride) of carboxylated PLA and mono or dihydroxy PEG. The coupling reaction and the copolymer structures were monitored by nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR) and gel permeation chromatography (GPC). The melting temperature (Tm) of PEG blocks decreased with the presence of PLA sequences attaching to PEG blocks. The CMC values were determined to be 10-145 mg/L depending on the length of PLA and PEG blocks and the structure of the block copolymers.

• Journal of the Korean Society of Safety
• /
• v.27 no.2
• /
• pp.13-19
• /
• 2012

The effectiveness of treeing resistance in low density polyethylene containing azocompounds were investigated under radiation environments. 4-(4-nitrophenylazo)-1-naphthol and 4-(4-nitrophenylazo) resorcinol were selected for treeing inhibitors. LDPE containing the additives were crosslinked with dicumyl peroxide, irradiated by $Co^{60}$ ${\gamma}$-ray in the presence of air at room temperature. Treeing inception voltage, AC breakdown strength measurements were carried out for electrical insulation characteristics, thermoluminescence and gel contents were analyzed as various irradiation doses also. LDPE with treeing inhibitors showed much better insulation characteristics than pure LDPE. It is interpreted that molecular structures, polar groups and the type of radicals connected on the benzene ring of the additives affected electrical characteristics. From the results, 4-(4-nitrophenylazo) resorcinol was the most effective upon the best treeing and radiation resistance.

• Journal of the Korean Chemical Society
• /
• v.56 no.1
• /
• pp.14-19
• /
• 2012

We investigate the doublet and quartet potential energy surfaces associated with the gas-phase reaction between $Ti^+$ and $CF_3COCH_3$ for two plausible reaction pathways, $TiF_2^+$ and $TiO^+$ formation pathways by using the density functional theory (DFT) method. The molecular structures of intermediates and transition states involved in these reaction pathways are optimized at the DFT level by using the PBE0 functional. All transition states are identified by using the intrinsic reaction coordinate (IRC) method, and the resulting reaction coordinates describe how $Ti^+$ activates $CF_3COCH_3$ and produces $TiF_2^+$ and $TiO^+$ as products. On the basis of presented results, we propose the most favorable reaction pathway in the reaction between $Ti^+$ and $CF_3COCH_3$.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2012.08a
• /
• pp.289-289
• /
• 2012

Molecular beam epitaxy 방법으로 성장시킨 AlGaAs/GaAs 다중 양자 우물 구조에 대한 라만 산란 연구를 보고한다. InAs 양자점이 성장된 Si 기판 위에 각기 다른 온도에서 두께 약 1 ${\mu}m$의 GaAs 층을 두 단계로 성장시킨 후 그 위에 AlGaAs/GaAs 다중 양자 우물 구조를 성장시켰다. AlGaAs/GaAs 다중 양자 우물 구조의 광학적 특성에 영향을 주는 GaAs 층의 변형력(stress)의 변화를 알기 위해서 시료의 측면으로부터 공간 분해된 라만 산란 실험을 수행하였다. 라만 산란 실험으로부터 AlGaAs/GaAs 다중 양자 우물 구조가 지니는 모든 종류의 광학 포논을 관측하였으며, 두 단계로 성장시킨 GaAs 층에서의 변형력이 Si 기판으로부터 멀어질수록 성장조건의 변화에 따라서 다르게 전개된다는 것을 파악하였다.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.5
• /
• pp.1471-1474
• /
• 2011

A series of new polymers containing 1,2,3-triazoles were synthesized and their structures and properties were characterized by FT-IR, $^1H$ NMR, TGA, DSC and GPC. The results showed that the polymers modified by alkyl groups had good solubility, thermal stability and reasonable molecular weights. It was also demonstrated that the properties of fluorine-containing polymers were seriously affected by fluorine atoms with hydrophobic and chemical proof properties.

• Proceedings of the Optical Society of Korea Conference
• /
• 2009.02a
• /
• pp.525-526
• /
• 2009

we investigated the effect of rapid thermal annealing (RTA) temperature on photoluminescence (PL) of 635 nm InGaP/InGaAlP multiple quantum well structure. RTA is performed with the quantum well structure with 5.5 nm of well width. The highest PL peak intensity is shown at 1 min. of RTA at $720^{\circ}C$ sample as 3 times higher as compared to the as-grown sample. The effect may be assigned to an expected reduction in number of nonradiative recombination centers in the quantum well.

• International Journal of Concrete Structures and Materials
• /
• v.4 no.1
• /
• pp.37-43
• /
• 2010

Theoretical models based on modern interpretations of the morphology and interactions of cement hydration products are developed for prediction of the mechanical properties of hydrated cement paste (hcp). The models are based on the emerging nanostructural vision of calcium silicate hydrate (C-S-H) morphology, and account for the intermolecular interactions between nano-scale calcium C-S-H particles. The models also incorporate the effects of capillary porosity and microcracking within hydrated cement paste. The intrinsic modulus of elasticity and tensile strength of hydrated cement paste are determined based on intermolecular interactions between C-S-H nano-particles. Modeling of fracture toughness indicates that frictional pull-out of the micro-scale calcium hydroxide (CH) platelets makes major contributions to the fracture energy of hcp. A tensile strength model was developed for hcp based on the linear elastic fracture mechanics theories. The predicted theoretical models are in reasonable agreements with empirical models developed based on the experimental performance of hcp.

• Bulletin of the Korean Chemical Society
• /
• v.23 no.2
• /
• pp.277-280
• /
• 2002

Mass-analyzed threshold ionization (MATI) spectra of 2-hydroxypyridines existing as lactims (2-pyridinol) in a molecular beam are obtained via (1+1') two-photon process to give accurate ionization energies of 8.9344${\pm}$0.0005 and 8.9284${\pm}$0.0005 eV for 2-pyridinol (2Py-OH) and its deuterated analogue (2Py-OD), respectively. Resonantly-enhanced two-photon ionization spectra of these compounds are also presented to give vibrational structures of their $S_1$ states. Vibrational frequencies of 2Py-OH and 2Py-OD in ionic ground states are accurately determined from MATI spectra taken via various $S_1$ intermediate states, and associated vibrational modes are assigned with the aid of ab initio calculations.

• Journal of the Korean Chemical Society
• /
• v.44 no.3
• /
• pp.184-189
• /
• 2000

ab initio molecular orbitaI calculation is performed to estimate the substituent effects for meta-substituted pyridines. Electrostatic potentials are obtained from ab initio wavefunctions of the optimized structures for the meta-substituted pyridines. Electrostatic potenhals are shown to be minimum at nitrogen atom of pyridines. The potenttial minima are good correlated with the substituent constants, ${\sigma}_m$ and with the ${\Delta}pK_a$, respectively. It is found that the electrostatic potential minima can be used as a useful measure of substituent effects.

• Molecular & Cellular Toxicology
• /
• v.1 no.1
• /
• pp.13-16
• /
• 2005

The current vision of toxicogenomics is the development of methods or platforms to predict toxicity of un characterized chemicals by using '-omics' information in pre-clinical stage. Because each chemical has different ADME (absorption, distribution, mechanism, excretion) and experimental animals have lots of variation, precise prediction of chemical's toxicity based on '-omics' information and toxicity data of known chemicals is very difficult problem. So, the importance of bioinformatics is more emphasized on toxicogenomics than other functional genomics studies because these problems can not be solved only with experiments. Thus, toxicoinformatics covers all information-based analytical methods from gene expression (bioinformatics) to chemical structures (cheminformatics) and it also deals with the integration of wide range of experimental data for further extensive analyses. In this review, the overall strategy to toxicoinformatics is discussed.