• Title/Summary/Keyword: Molecular Spectroscopy

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NMR Spectroscopy and Mass Spectrometry of Phenylethanol Galactoside synthesized using Escherichia coli 𝛽-Galactosidase (대장균 베타-갈락토시데이즈를 이용하여 합성된 Phenylethanol Galactoside의 NMR Spectroscopy 및 Mass spectrometry)

  • Lee, Hyang-Yeol;Jung, Kyung-Hwan
    • Journal of the Korean Applied Science and Technology
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    • v.37 no.5
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    • pp.1323-1329
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    • 2020
  • To characterize the molecular structure of PhE-gal synthesized using Escherichia coli 𝛽-gal, NMR (1H- and 13C-) spectroscopy and mass spectrometry of PhE-gal were conducted. 1H NMR spectrum of PhE-gal showed multiple peaks corresponding to the galactosyl group, which is an evidence of galactosylation on 2-phenylethanol (PhE). Downfield proton peaks at 𝛿H 7.30~7.21 ppm showed the presence of aromatic protons of PhE as well as benzyl CH2 protons at 𝛿H 2.88 ppm. Up field proton peaks at 𝛿H 4.31 ppm, 4.07 ppm and multiple peaks from 𝛿H 3.86~3.38 ppm are indicative of galactocylation on PhE. 13C NMR spectrum revealed the presence of 12 carbons suggestive of PhE-gal. Among 12 carbon peaks from PhE-gal, the four peaks at 138.7, 129.0, 128.6 and 126.5 were assigned aromatic carbons in the phenyl ring. Three peaks at 129.0, 128.6 and 126.5 showed high intensities, indicating CH aromatic carbons. 13C NMR data of PhE-gal showed 6 monosaccharide peaks from galactose and 2 peaks from aliphatic chain of PhE, indicating that PhE-gal was galactosyl PhE. The mass value (sodium adduct ion of PhE-gal, m/z = 307.1181) from mass spectrometry analysis of PhE-gal, and 1H and 13C NMR spectral data were in good agreement with the expecting structure of PhE-gal. We are expecting that through future study it will eventually be able to develop a new additive with low cytotoxicity.

Atomic Structure of Dissolved Carbon in Enstatite: Raman Spectroscopy and Quantum Chemical Calculations of NMR Chemical Shift (라만 분광분석과 NMR 화학 이동 양자 계산을 이용한 엔스테타이트에 용해된 탄소의 원자 환경 연구)

  • Kim, Eun-Jeong;Lee, Sung-Keun
    • Journal of the Mineralogical Society of Korea
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    • v.24 no.4
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    • pp.289-300
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    • 2011
  • Atomistic origins of carbon solubility into silicates are essential to understand the effect of carbon on the properties of silicates and evolution of the Earth system through igneous and volcanic processes. Here, we investigate the atomic structure and NMR properties of dissolved carbon in enstatite using Raman spectroscopy and quantum chemical calculations. Raman spectrum for enstatite synthesized with 2.4. wt% of amorphous carbon at 1.5 GPa and $1,400^{\circ}C$ shows vibrational modes of enstatite, but does not show any vibrational modes of $CO_2$ or ${CO_3}^{2-}$. The result indicates low solubility of carbon into enstatite at a given pressure and temperature conditions. Because $^{13}C$ NMR chemical shift is sensitive to local atomic structure around carbon and we calculated $^{13}C$ NMR chemical shielding tensors for C substituted enstatite cluster as well as molecular $CO_2$ using quantum chemical calculations to give insights into $^{13}C$ NMR chemical shifts of carbon in enstatite. The result shows that $^{13}C$ NMR chemical shift of $CO_2$ is 125 ppm, consistent with previous studies. Calculated $^{13}C$ NMR chemical shift of C is ~254 ppm. The current calculation will alllow us to assign potential $^{13}C$ NMR spectra for the enstatite dissolved with carbon and thus may be useful in exploring the atomic environment of carbon.

Interaction of Resveratrol and Genistein with Nucleic Acids

  • Usha, Subbiah;Johnson, Irudayam Maria;Malathi, Raghunathan
    • BMB Reports
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    • v.38 no.2
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    • pp.198-205
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    • 2005
  • Resveratrol (RES) and genistein (GEN) are the dietary natural products known to possess chemopreventive property and also the ability to repair DNA damage induced by mutagens/carcinogens. It is believed that the therapeutic activity of these compounds could be primarily due to their interaction with nucleic acids but detailed reports are not available. We here explore the interaction of these drugs with nucleic acids considering DNA and RNA as a potential therapeutic target. The interaction of RES and GEN has been analysed in buffered solution with DNA [saline sodium citrate (SSC)] and RNA [tris ethylene diammine tetra acetic acid (TE)] using UV-absorption and Fourier transform infrared (FTIR) spectroscopy. The UV analysis revealed lesser binding affinity with nucleic acids at lower concentration of RES (P/D = 5.00 and 10.00), while at higher drug concentration (P/D = 0.75, 1.00 and 2.50) hyperchromic effect with shift in the ${\lambda}_{max}$ is noted for DNA and RNA. A major RES-nucleic acids complexes was observed through base pairs and phosphate backbone groups with K = $35.782\;M^{-1}$ and K = $34.25\;M^{-1}$ for DNA-RES and RNA-RES complexes respectively. At various concentrations of GEN (P/D = 0.25, 0.50, 0.75, 1.00 and 2.50) hyperchromicity with shift in the ${\lambda}_{max}$ from 260 $\rightarrow$ 263 om and 260 $\rightarrow$ 270 nm is observed for DNA-GEN and RNA-GEN complexes respectively. The binding constant (from UV analysis) for GEN-nucleic acids complexes could not be obtained due to GEN absorbance overlap with that of nucleic acids at 260 nm. Nevertheless a detailed analysis with regard to the interaction of these drugs (RES/GEN) with DNA and RNA could feasibly be understood by FTIR spectroscopy. The NH band of free DNA and RNA which appeared at $3550-3100\;cm^{-1}$ and $3650-2700\;cm^{-1}$ shifted to $3450-2950\;cm^{-1}$ and $3550-3000\;cm^{-1}$ in DNA-RES and RNA-RES complexes respectively. Similarly shifts corresponding to $3650-3100\;cm^{-1}$ and $3420-3000\;cm^{-1}$ have been observed in DNA-GEN and RNA-GEN complexes respectively. The observed reduction in NH band of free nucleic acids upon complexation of these drugs is an indication of the involvement of the hydroxyl (OH) and imino (NH) group during the interaction of the drugs and nucleic acids (DNA/RNA) through H-bonded formation. The interaction of RES and GEN with bases appears in the order of G $\geq$ T > C > A and A > C $\geq$ T > G. Further interaction of these natural compounds with DNA and RNA is also supported by changes in the vibrational frequency (shift/intensity) in symmetrical and asymmetrical stretching of aromatic rings of drugs in the complex spectra. No appreciable shift is observed in the DNA and RNA marker bands, indicating that the B-DNA form and A-family conformation of RNA are not altered during their interaction with RES and GEN.

Inhibitory Effects of Immediate-Type Allergic Reaction of Okbyungpoongsan-Gami by Anal Therapy (항장효법에 의한 옥병풍산가미의 즉각형 알레르기 반응 억제 효과)

  • Cho Jeong Yeon;Moon Gu;Moon Suk Jae;Won Jin Hee;You Kyoung Tae;Lee Jong Deok
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.16 no.2
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    • pp.239-244
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    • 2002
  • Okbyungpoongsan-Gami (OG) has been used for the treatment of excessive sweating with general weakness and allergic rhinitis recently. Anal therapy is another way of taking Oriental medicine. It is an important pathway but not available in common clinical situation. This experiment was performed in order to study the inhibitory effect of immediate-type allergic reaction of OG by anal therapy. In addition, the experiment was practised by 1 H-NMR spectroscopy to examine molecular structure of OG. The results were obtained as follows : OG concentration-dependently inhibited compound 48/80- induced immediate type systemic allergic reaction with concentrations of 0.01-1.0g/kg by anal administration 1 h before injection of compound 48/80. OG also concentration-dependently inhibited compound 48/80- induced ear swelling response with concentrations of 0.01-1g/kg by anal administration 1h before injection of compound 48/80. OG also inhibited the passive cutaneous anaphylaxis activated by anti-dinitrophenyl (DNP) IgE antibody concentration- dependently at concentrations ranging from 0.01 to 1g/kg. When OG was pretreated at concentrations ranging from 0.01 to 1g/ℓ, the histamine release from the rat peritoneal mast cells induced by compound 48/80 was reduced in a concentration-dependent manner. OG (0.1-1g/ℓ) had a significant inhibitory effect on histamine release from IgE-induced activated mast cells. OG is seen to be a biochemical compound certainly by 1 H-NMR spectroscopy According to above results, anal therapy of OG may be beneficial in the treatment of systemic and local immediate-type allergic reactions by inhibition of histamine release from mast cells.

Isolation of Bacillus subtilis GS-2 Producing γ-PGA from Ghungkukjang Bean Paste and Identification of γ-PGA (청국장으로부터 분리한 Poly(γ-glutamic acid)를 생산하는 균주 Bacillus subtilis GS-2의 분리 및 γ-PGA의 확인)

  • Bang, Byung-Ho;Jeong, Eun-Ja;Rhee, Moon-Soo;Kim, Yong-Min;Yi, Dong-Heui
    • Journal of Applied Biological Chemistry
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    • v.54 no.1
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    • pp.1-6
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    • 2011
  • ${\gamma}$-PGA(poly-${\gamma}$-glutamic acid) is an unusual anionic polypeptide that is made of D- and L-glutamic acid units connected by amide linkages between ${\alpha}$-amino and ${\gamma}$-carboxylic acid groups. ${\gamma}$-PGA has been isolated from many kinds of organisms. Many Bacillus strains produce ${\gamma}$-PGA as a capsular material of an extracellular viscous material. It is safe for eating as a viscosity element of fermented soybean products such as Chungkookjang and Natto. It is biodegradable, edible and nontoxic toward humans and the environment and its molecular weight varies from ten thousand to several hundred thousand depending on the kinds of strains used. Therefore, potential applications of ${\gamma}$-PGA and its derivatives have been of interest in the past few years in a broad range of industrial fields such as food, cosmetics, medicine, water-treatment, etc. In this study, a bacterium, Bacillus subtilis GS-2 isolated from the Korean traditional seasoning food, Chungkookjang could produce a large amount of ${\gamma}$-PGA with high productivity and had a simple nutrient requirement. Based on carbon utilization pattern and partial 16S rRNA sequence analysis, the GS-2 strain was identified as B. subtilis. The determination of purified ${\gamma}$-PGA was confirmed with thin layer chromatography (TLC), high performance liquid chromatography (HPLC), fourier transform infrared (FT-IR) spectra, and $^1H$-nuclear magnetic resonance ($^1H$-NMR) spectroscopy.

Physical and Chemical characteristics of Cokes Using Ash-Free Coal as binder (무회분 석탄(AFC)을 바인더로 이용한 코크스의 물리적 및 화학적 특성)

  • Kim, Gyeong Min;Kim, Jin Ho;Lisandy, Kevin Yohanes;Kim, Gyu Bo;Choi, Ho Kyung;Jeon, Chung Hwan
    • Korean Chemical Engineering Research
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    • v.55 no.3
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    • pp.395-400
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    • 2017
  • Coke strength was increased by adding ash-free coal (AFC) binder. In this study, the effect of the AFC binder on the physical and chemical properties of coke was experimentally investigated to understand the molecular mechanism for the improved coke strength. For reduced $CO_2$ emission in steelmaking industry, torrefied biomass fuel mixed with coal binder is also considered. The interface between the base coal and AFC was thus examined using Scanning Electron Microscope (SEM). The coke strength was commonly measured by performing the indirect tensile test and Nuclear Magnetic Resonance (NMR) spectroscopy in $^1H$ and $^{13}C$ modes. For comprehensive mechanism study of the enhanced coke strength thus obtained, ordinary coal for thermal power plant use was carbonized with AFC for subsequent SEM examination. The NMR spectroscopy results of coke samples positively revealed that the tensile strength was proportional to the average number of aromatic rings.

Comparison of Thermal Stress Induced Heat Shock Factor 1 (HSF1) in Goldfish and Mouse Hepatocyte Cultures (붕어와 마우스의 간세포 배양에서 열 스트레스에 의해 유도되는 heat shock factor1 (HSF1)의 비교)

  • Kim, So-Sun;So, Jae-Hyeong;Park, Jang-Su
    • Journal of Life Science
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    • v.26 no.12
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    • pp.1360-1366
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    • 2016
  • Heat shock proteins (HSPs) are induced in response to various physiological or environmental stressors. However, the transcriptional activation of HSPs is regulated by a family of heat shock factors (HSFs). Fish models provide an ideal system for examining the biochemical and molecular mechanisms of adaptation to various temperatures and water environments. In this study, we examined the pattern differentials of heat shock factor 1 (HSF1) and expression of heat shock protein 70 (HSP70) in response to thermal stress in goldfish and mouse hepatocyte cultures by immune-blot analysis. Goldfish HSF1 (gfHSF1) changed from a monomer to a trimer at $33^{\circ}C$ and showed slightly at $37^{\circ}C$, whereas mouse HSF1 (mHSF1) did so at $42^{\circ}C$. This experiment showed similar results to a previous study, indicating that gfHSF1 and mHSF1 play different temperature in the stress response. We also examined the activation conditions of the purified recombinant proteins in human HSF1 (hmHSF1) and gfHSF1 using CD spectroscopy and immune-blot analysis. The purified recombinant HSF1s were treated from $25^{\circ}C$ to $42^{\circ}C$. Structural changes were observed in hmHSF1 and gfHSF1 according to the heat-treatment conditions. These results revealed that both mammal HSF1 (human and mouse HSF1) and fish HSF1 exhibited temperature-dependent changes; however, their optimal activation temperatures differed.

Synthesis of Mesoporous Pt-Au Alloy Electrode by Electrodeposition Method for Direct Methanol Fuel Cell (전기화학적 증착법에 의한 직접 메탄올 연료전지(DMFC)용 메조포러스 백금-금 합금전극제조)

  • Park, Eun-Kyung;Ahn, Jae-Hoon;Kim, Young-Soo;Kim, Kyung-Hwa;Baeck, Sung-Hyeon
    • Korean Chemical Engineering Research
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    • v.46 no.4
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    • pp.727-731
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    • 2008
  • Mesoporous Pt-Au alloy films were successfully fabricated on ITO-coated glass by electrodeposition method using tri-blockcopolymer (P123) as a templating agent. The electrolyte consisted of 10 mM hydrogen hexachloroplatinate ($H_2PtCl_6$), 10 mM hydrogen tetrachloroaurate ($HAuCl_4$), and proper amount of P123. For comparison, control samples were electrodeposited without $HAuCl_4$ and P123. Film composition was determined by EDS(Energy Dispersive X-ray Spectroscopy), and the mesoporous structure was confirmed by TEM(Transmission Electron Microscopy). SEM(Scanning Electron Microscopy) was utilized to examine surface morphology, and it was observed that the addition of P123 affected the particle growth, resulting in the significant change of surface morphology. Methanol oxidation and CO oxidation were carried out to investigate electrocatalytic activities of synthesized samples. It was observed that the catalytic activity was strongly dependent on the film compositions. Compared with nonporous electrode prepared without P123 templating, mesoporous films prepared with P123 templating showed much higher catalytic activities and stability for both methanol oxidation and CO oxidation. These enhanced electrocatalytic activities were due to the high surface area and facilitated charge transfer of mesoporous films.

Selective Oxidation of Single Crystalline AlAs layer on GaAs substrate and XPS(X-ray photoelectron spectroscopy) Analysis (GaAs 기판위에 성장된 단결정 AlAs층의 선택적 산화 및 XPS (X-ray photonelectron spectroscopy) 분석)

  • Lee, Suk-Hun;Lee, Young-Soo;Tae, Heung-Sik;Lee, Young-Hyun;Lee, Jung-Hee
    • Journal of Sensor Science and Technology
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    • v.5 no.5
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    • pp.79-84
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    • 1996
  • A $1\;{\mu}m$ thick n-type GaAs layer with Si doping density of $1{\times}10^{17}/cm^{3}$ and a $500{\AA}$ thick undoped single crystalline AlAs layer were subsequently grown by molecular beam epitaxy on the $n^{+}$ GaAs substrate. The AlAs/GaAs layer was oxidized in $N_{2}$ bubbled $H_{2}O$ vapor($95^{\circ}C$) ambient at $400^{\circ}C$ for 2 and 3 hours. From the result of XPS analysis, small amounts of $As_{2}O_{3}$, AlAs, and elemental As were found in the samples oxidized up to 2 hours. After 3 hours oxidation, however, various oxides related to As were dissolved and As atoms were diffused out toward the oxide surface. The as-grown AlAs/GaAs layer was selectively converted to $Al_{2}O_{3}/GaAs$ at the oxidation temperature $400^{\circ}C$ for 3 hours. The oxidation temperature and time is very critical to stop the oxidation at the AlAs/GaAs interface and to form a defect-free surface layer.

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Differences in Structural Characteristics and Eu(III) Complexation for Molecular Size Fractionated Humic Acid (분자량별 분류에 따른 휴믹산의 구조적 특성 및 Eu(III)과의 착물 반응 특성 비교에 대한 연구)

  • Shin, Hyun-Sang;Rhee, Dong-Seok;Kang, Kihoon
    • Analytical Science and Technology
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    • v.14 no.2
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    • pp.159-166
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    • 2001
  • A humic acid(HA, Aldrich Co) sample was subjected to ultrafiltration for molecular size fractionation and three fractions of different nominal size($F_1$: 1,000-10,000 daltons; $F_2$: 10,000-50,000 daltons; $F_3$: 100,000-300,000 daltons) were obtained. The structural characteristics of the size-fractionated HA were analyzed using their IR and solid state C-13 NMR spectral data, and the carboxylate group contents of the humic acids were determined using their pH titration data. The $^7F_0-{^5}D_0$ excitation spectra of Eu(III) complexes of the size-fractionated mgHA in aqueous solution were acquired($[Eu(III)]=1.0{\times}10^{-4}mol\;L^{-1}$, $(HA)=470-970mg\;L^{-1}$) at pH 5.0 using a pulsed tunable laser system, in which metal binding properties of the size-fractionated HA were elucidated and compared on another. Characterization of the IR and C-13 NMR spectral data indicated that the fraction($F_3$) with molecules of larger size were primarily aliphatic, while the fractions($F_1$, $F_2$) with smaller molecules of less than 50,000 daltons were predominantly aromatic. Titration data were consistent with an increase in the number of carboxylate groups per unit mass as molecular size became smaller. The $^7F_0-{^5}D_0$ excitation spectral data of Eu(III)-humate complexes showed that the peak maxima on these spectra were shifted toward lower energies with increasing molecular size of HA, indicating the higher degree of bindings of the Eu in the molecules of larger size. We also discussed the relationship of the lower energy shifts of the maximum peaks with increasing the molecular size of HA with the structural differences of the size-fractionated HA.

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