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Conformational Study of Benzene-Fused Ring Compound 1,2,3,4-Tetrahydronaphthalene Using Vibrational
추재범,한성준,최영식,추재범 대한화학회 1997 Bulletin of the Korean Chemical Society Vol.18 No.10
The infrared, Raman, and jet-cooled laser-induced fluorescence excitation spectra of 1,2,3,4-tetrahydronaphthalene have been recorded and analyzed. The observed vibrations have been assigned to understand the conformational behaviors in its electronic ground (S0) and excited (S1) states. Ab initio at the HF/6-31G** level and molecular mechanics (MM3) force field calculations have been carried out to generate the complete normal mode frequencies of the molecule in its S0 state. The vibrational frequencies calculated from the ab initio method show a better agreement with the observed infrared and Raman frequencies than those calculated from the MM3 method. In several cases, the normal mode calculations were very helpful to clarify some ambiguities of previous assignments. In addition, the ring inversion process between two twisted conformers of 1,2,3,4-tetrahydronaphthalene has been reexamined utilizing ab initio calculation. The results show that the ring inversion energy is in the range of 3.7-4.3 kcal/mol which is higher than the previously reported AM1 value of 2.1 kcal/mol.
고주희,차기원,전준호,GI-EUNRHIE,최종훈,추재범 대한화학회 2015 Bulletin of the Korean Chemical Society Vol.36 No.3
Anthrax is a highly acute disease caused by the bacterium Bacillus anthracis. In this article, we report a highly sensitive detection technique for pathogenic B. anthracis, based on the use of a surface-enhanced Raman scattering (SERS)-active magnetic sensor. Gold nanoparticles (GNPs) and magnetic beads were used as SERS nanotags and supporting substrates, respectively. Here, an SERS-based competitive immunoassay platform is described for the quantitative evaluation of the anthrax marker. Poly-γ-d-glutamic acid (PGA) capsules were used as a target biomarker for the highly sensitive detection of B. anthracis because PGA is known to be closely associated with the pathogenesis of B. anthracis infection. The SERS-based competitive assay reveals an extraordinarily high sensitivity for PGA with a limit of detection of ~1.0 ng/mL. This work provides a conceptually new immunoassay prototype for fast and sensitive detection of PGA markers.