• Title/Summary/Keyword: Molecular Spectroscopy

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Electrochemical and Spectroscopic Studies on the Interaction between DNA and the Product of Enzyme-catalyzed Reaction of OPD-H2O2-HRP

  • Niu, S.Y.;Zhang, S.S.;Ma, L.B.;Jiao, K.
    • Bulletin of the Korean Chemical Society
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    • v.25 no.6
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    • pp.829-832
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    • 2004
  • The pure product of 2,3-diaminophenazine was prepared by the enzyme-catalyzed reaction of ophenylenediamine-$H_2O_2$-horseradish peroxidase and characterized by UV/Vis spectroscopy, IR spectroscopy and NMR spectroscopy. The electrochemical behaviour of 2,3-diaminophenazine on the glassy carbon electrode was studied. The interaction between 2,3-diaminophenazine and deoxyribonucleic acid was studied by cyclic voltammetry method and UV/Vis spectroscopy, which indicated that the interaction between them is intercalation. The influence of reacting time was also studied. The binding ratio of the 2,3-diaminophenazine-DNA complex is calculated to be 1 : 2 and the binding constant is to be $5.07{\times} 10^3L{\cdot}mol^{-1}$ at room temperature.

A Novel Classification of Polymorphs Using Combined LIBS and Raman Spectroscopy

  • Han, Dongwoo;Kim, Daehyoung;Choi, Soojin;Yoh, Jack J.
    • Current Optics and Photonics
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    • v.1 no.4
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    • pp.402-411
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    • 2017
  • Combined LIBS-Raman spectroscopy has been widely studied, due to its complementary capabilities as an elemental analyzer that can acquire signals of atoms, ions, and molecules. In this study, the classification of polymorphs was performed by laser-induced breakdown spectroscopy (LIBS) to overcome the limitation in molecular analysis; the results were verified by Raman spectroscopy. LIBS signals of the $CaCO_3$ polymorphs calcite and aragonite, and $CaSO_4{\cdot}2H_2O$ (gypsum) and $CaSO_4$ (anhydrite), were acquired using a Nd:YAG laser (532 nm, 6 ns). While the molecular study was performed using Raman spectroscopy, LIBS could also provide sufficient key data for classifying samples containing different molecular densities and structures, using the peculiar signal ratio of $5s{\rightarrow}4p$ for the orbital transition of two polymorphs that contain Ca. The basic principle was analyzed by electronic motion in plasma and electronic transition in atoms or ions. The key factors for the classification of polymorphs were the different electron quantities in the unit-cell volume of each sample, and the selection rule in electric-dipole transitions. The present work has extended the capabilities of LIBS in molecular analysis, as well as in atomic and ionic analysis.

Structural Investigation of Bistrifluron Using X-Ray Crystallography, NMR Spectroscopy, and Molecular Modeling

  • Moon, Joon-Kwan;Kim, Jeong-Han;Rhee, Sang-Kee;Kim, Gang-Beom;Yun, Ho-Seop;Chung, Bong-Jin;Lee, Sang-San;Lim, Yoong-Ho
    • Bulletin of the Korean Chemical Society
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    • v.23 no.11
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    • pp.1545-1547
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    • 2002
  • A new insecticide, bistrifluron acts as an inhibitor of insect development and interferes with the cuticle formation of insects. Since it shows low acute oral and dermal toxicities, it can be one of potent insecticides. Based on X-ray crystallography, NMR spectroscopy and molecular modeling, the structural studies of bistrifluron have been carried out.

Coating gold nanoparticles to a glass substrate by spin-coat method as a surface-enhanced raman spectroscopy (SERS) plasmonic sensor to detect molecular vibrations of bisphenol-a (BPA)

  • Eskandari, Vahid;Hadi, Amin;Sahbafar, Hossein
    • Advances in nano research
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    • v.13 no.5
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    • pp.417-426
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    • 2022
  • Bisphenol A (BPA) is one of the chemicals used in monomer epoxy resins and polycarbonate plastics. The surface-enhanced Raman spectroscopy (SERS) method is precise for identifying biological materials and chemicals at considerably low concentrations. In the present article, the substrates coated with gold nanoparticles have been studied to identify BPA and control the diseases caused by this chemical. Gold nanoparticles were made by a simple chemical method and by applying gold salt and trisodium citrate dihydrate reductant and were coated on glass substrates by a spin-coat approach. Finally, using these SERS substrates as plasmonic sensors and Raman spectroscopy, the Raman signal enhancement of molecular vibrations of BPA was investigated. Then, the molecular vibrations of BPA in some consumer goods were identified by applying SERS substrates as plasmonic sensors and Raman spectroscopy. The fabricated gold nanoparticles are spherical and quasi-spherical nanoparticles that confirm the formation of gold nanoparticles by observing the plasmon resonance peak at 517 nm. Active SERS substrates have been coated with nanoparticles, which improve the Raman signal. The enhancement of the Raman signal is due to the resonance of the surface plasmons of the nanoparticles. Active SERS substrates, gold nanoparticles deposited on a glass substrate, were fabricated for the detection of BPA; a detection limit of 10-9 M and a relative standard deviation (RSD) equal to 4.17% were obtained for ten repeated measurements in the concentration of 10-9 M. Hence, the Raman results indicate that the active SERS substrates, gold nanoparticles for the detection of BPA along with the developed methods, show promising results for SERS-based studies and can lead to the development of microsensors. In Raman spectroscopy, SERS active substrate coated with gold nanoparticles are of interest, which is larger than gold particles due to the resonance of the surface plasmons of gold nanoparticles and the scattering of light from gold particles since the Raman signal amplifies the molecular vibrations of BPA. By decreasing the concentration of BPA deposited on the active SERS substrates, the Raman signal is also weakened due to the reduction of molecular vibrations. By increasing the surface roughness of the active SERS substrates, the Raman signal can be enhanced due to increased light scattering from rough centers, which are the same as the larger particles created throughout the deposition by the spin-coat method, and as a result, they enhance the signal by increasing the scattering of light. Then, the molecular vibrations of BPA were identified in some consumer goods by SERS substrates as plasmonic sensors and Raman spectroscopy.

Probing the Molecular Orientation of ZnPc on AZO Using Soft X-ray Spectroscopies for Organic Photovoltaic Applications

  • Jung, Yunwoo;Lee, Nalae;Kim, Jonghoon;Im, Yeong Ji;Cho, Sang Wan
    • Applied Science and Convergence Technology
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    • v.24 no.5
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    • pp.151-155
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    • 2015
  • The interfacial electronic structure between zinc phthalocyanine (ZnPc) and aluminumdoped zinc oxide (AZO) substrates has been evaluated by ultraviolet photoemission spectroscopy and angle-dependent x-ray absorption spectroscopy to understanding the molecular orientation of a ZnPc layer on the performance of small molecule organic photovoltaics (OPVs). We find that the ZnPc tilt angle improves the ${\pi}-{\pi}$ interaction on the AZO substrate, thus leading to an improved short-circuit current in OPVs based on phthalocyanine. Furthermore, the molecular orientation-dependent energy level alignment has been analyzed in detail using ultraviolet photoemission spectroscopy. We also obtained complete energy level diagrams of ZnPc/AZO and ZnPc/indium thin oxide.

Effects of Temperature and Additives on the Thermal Stability of Glucoamylase from Aspergillus niger

  • Liu, Yang;Meng, Zhaoli;Shi, Ruilin;Zhan, Le;Hu, Wei;Xiang, Hongyu;Xie, Qiuhong
    • Journal of Microbiology and Biotechnology
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    • v.25 no.1
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    • pp.33-43
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    • 2015
  • GAM-1 and GAM-2, two themostable glucoamylases from Aspergillus niger B-30, possess different molecular masses, glycosylation, and thermal stability. In the present study, the effects of additives on the thermal inactivation of GAM-1 and GAM-2 were investigated. The half-lives of GAM-1 and GAM-2 at 70℃ were 45 and 216 min, respectively. Data obtained from fluorescence spectroscopy, circular dichroism spectroscopy, UV absorption spectroscopy, and dynamic light scattering demonstrated that during the thermal inactivation progress, combined with the loss of the helical structure and a majority of the tertiary structure, tryptophan residues were partially exposed and further led to glucoamylases aggregating. The thermal stability of GAM-1 and GAM-2 was largely improved in the presence of sorbitol and trehalose. Results from spectroscopy and Native-PAGE confirmed that sorbitol and trehalose maintained the native state of glucoamylases and prevented their thermal aggregation. The loss of hydrophobic bonding and helical structure was responsible for the decrease of glucoamylase activity. Additionally, sorbitol and trehalose significantly increased the substrate affinity and catalytic efficiency of the two glucoamylases. Our results display an insight into the thermal inactivation of glucoamylases and provide an important base for industrial applications of the thermally stable glucoamylases.

Coherent Two-Dimensional Optical Spectroscopy

  • Cho, Min-Haeng
    • Bulletin of the Korean Chemical Society
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    • v.27 no.12
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    • pp.1940-1960
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    • 2006
  • Theoretical descriptions of two-dimensional (2D) vibrational and electronic spectroscopy are presented. By using a coupled multi-chromophore model, some examples of 2D spectroscopic studies of peptide solution structure determination and excitation transfer process in electronically coupled multi-chromophore system are discussed. A few remarks on perspectives of this research area are given.

Hydrogen Bonds in GlcNAc( β1,3)Gal( β)OMe in DMSO Studied by NMR Spectroscopy and Molecular Dynamics Simulations

  • Shim, Gyu-Chang;Shin, Jae-Min;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.25 no.2
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    • pp.198-202
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    • 2004
  • Hydrogen bond is an important factor in the structures of carbohydrates. Because of great strength, short range, and strong angular dependence, hydrogen bonding is an important factor stabilizing the structure of carbohydrate. In this study, conformational properties and the hydrogen bonds in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO are investigated through NMR spectroscopy and molecular dynamics simulation. Lowest energy structure in the adiabatic energy map was utilized as an initial structure for the molecular dynamics simulations in DMSO. NOEs, temperature coefficients, SIMPLE NMR data, and molecular dynamics simulations proved that there is a strong intramolecular hydrogen bond between O7' and HO3' in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO. In aqueous solution, water molecule makes intermolecular hydrogen bonds with the disaccharides and there was no intramolecular hydrogen bonds in water. Since DMSO molecule is too big to be inserted deep into GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe, DMSO can not make strong intermolecular hydrogen bonding with carbohydrate and increases the ability of O7' in GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe to participate in intramolecular hydrogen bonding. Molecular dynamics simulation in conjunction with NMR experiments proves to be efficient way to investigate the intramolecular hydrogen bonding existed in carbohydrate.

Quantum Interference Effects on Optical Amplification and the Index of Refraction in a Four-Level System

  • Zhang, Hui-Fang;Wu, Jin-Hui;Gao, Jin--Yue
    • Journal of the Optical Society of Korea
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    • v.7 no.3
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    • pp.174-179
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    • 2003
  • We construct a four-level system where a metastable state is included in an $Er^{3+}$ Doped Yttrium aluminum garnet (YAG) crystal. Because of the action of the coherent field, the traditional light amplification with inversion can be exhibited with remarkable variation. As a result, we propose a method to achieve the gain equalization by atomic coherence. At the same time, we find that the high index of refraction accompanied by vanishing absorption can also be reached in this model. We also find that a higher index of refraction with zero absorption can be easily obtained when the coherent field is off resonance.