• Title/Summary/Keyword: HyperChem

Search Result 13, Processing Time 0.019 seconds

Study on Surface Enhanced Raman Scattering of Indigo Carmine (lndigo Carmine의 표면증강라만스펙트럼에 관한 연구)

  • Lee, Chul Jae
    • The Journal of the Convergence on Culture Technology
    • /
    • v.4 no.2
    • /
    • pp.155-160
    • /
    • 2018
  • In this study, the experiments for surface enhancement of silver mirror substrates were done, where we checked the characteristics of silver surface made by Tollen's and ${\gamma}$- irradiation method. The surface enhancement of Indigo carmine was analyzed by silver mirror and silver sol surfaces. The assignments of the vibrational bands shown in SERS spectra are given based on both literature and the semi-empirical calculations at the PM3 methods. We deduced that the adsorption orientation of Indigo carmine was little tilted perpendicular to the silver surfaces by using of the surface selection rules.

Theoretical Study of Solvent Effect on Yield of Oxidative Addition Reaction (산화첨가반응의 수득률에 미치는 용매효과에 관한 이론적 연구)

  • Lee, Chul-Jae;Kim, Byung-So
    • Applied Chemistry for Engineering
    • /
    • v.21 no.5
    • /
    • pp.586-589
    • /
    • 2010
  • In present work, oxidative addition reaction of 1,3-cycleohexandion (1,3-CHD) with ethyl vinyl ether (EVE) was attempted utilizing $Ag_2CO_3$/celite (SC) reagent. In order to optimize reaction conditions, we surveyed several solvents for the production of dihydrofuran with the (SC) system. The yield of the acetonitrile (AN), dimethyl sulfoxide (DMSO), benzene (BZ), and heptane (HT) are given 78, 40, 15, and 10%, respectively. Therefore, we studied the solvent effects on yields by using PM3 and ZINDO/1 parameter of semi-empirical method of HyperChem7.0 molecular modeling program.

Analysis of the Three Dimensional Structure of Envelope Protein of the Japanes encephalitis virus Isolated in Korea (국내에서 분리된 일본뇌염 바이러스의 Envelope Protein의 3차구조 분석)

  • Nam, Jae-Hwan;Chae, Soo-Lim;Kim, Eung-Jung;Yoon, Kyung-Sik;Lee, Ho-Dong;Koh, Hyun-Chul;Cho, Hae-Wol
    • The Journal of Korean Society of Virology
    • /
    • v.27 no.2
    • /
    • pp.209-216
    • /
    • 1997
  • Three dimensional structures of envelope protein from Korean isolates and Nakayama-NIH strain of Japanese encephalitis virus (JEV) were deduced by a computer program (HyperChem 4.0 Chemplus 1.0) based on the data of the three dimentional structure of Tick-borne encephalitis virus. In the three dimensional structure of envelope protein, neutralizing epitope and T-helper cell recognition site of C-terminal region of Korean isolates were structually similar to those of Nakayama-NIH but the N-terminal region was not. Korean JE isolates were compared with Nakayama-NIH strain by using cross-neutralization antibody test. Neutralizing activities of Korean isolates derived from guinea pigs were higher than those of Nakayama-NIH strain against Korean isolates, although the polyclonal antibody titers of Nakayama-NlH showed 1:160 to 1:640 against Korean isolates. According to the results from three dimentional structures and cross-neutralization analyses, the antigenic difference between Korean JE isolates and Nakayama-NIH strain may be dependent on structural difference of envelope protein.

  • PDF