• 대한화학회지
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• 제52권5호
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• pp.468-475
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• 2008

• Bulletin of the Korean Chemical Society
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• 제21권1호
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• pp.49-55
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• 2000

A series of m-, and p-substituted phenyl 2-thiophenecarboxylates and benzoates was prepared by the reaction of the corresponding acyl chlorides and phenols. Their $^1H$ and $^{13}C$ NMR chemical shifts were analyzed using single substituent parameter (S SP) and dual substituent parameter (DSP) methods. The relative aromaticity index of thiophene was estimated to be 0.92 from the plot of the chemical shift of the carbonyl carbons of the thienoyl esters against chemical shift of the carbonyl carbons of the benzoyl esters.

• 한국자기공명학회논문지
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• 제22권4호
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• pp.144-148
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• 2018

Catalytic enzyme Pyrazinamidase (PncA) from Mycobacterium tuberculosis can hydrolyze substrate pyrazinamide (PZA) to pyrazoic acid (POA) as active form of compound. Using NMR spectroscopy, pH-dependent catalytic properties were monitored including metal binding mode during converting PZA to POA. There seems to be a conformational change through zinc binding in active site from the perturbation of peak intensities in series of 2D HSQC spectra the conformation changes through zinc binding.

• 공업화학
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• 제21권4호
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• pp.424-429
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• 2010

본 연구는 유기발광디바이스용(OLED) 녹색발광재료인 6-알킬-3-크로몬알데히드(2,2-디알킬)하이드라존 유도체의 합성에 관한 것으로서, 유도체들은 탈수축합반응으로 합성되었다. 이들은 전자흡인성의 6-알킬-3-크로몬알데히드류와 전자공여성의 2,2-디알킬하이드라존류의 공액구조를 가지고 있다. 합성된 물질들은 각각 FT-IR, $^1H$-NMR 스펙트럼으로부터 그의 구조적 특성을 확인하였고, 융점, 수득률에 의하여 열적 안정성, 반응성을 확인하였으며, 여기스펙트럼과 발광스펙트럼으로부터 자외가시광과 발광특성을 확인하였다.

• 공업화학
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• 제20권6호
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• pp.670-674
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• 2009

본 연구는 유기발광디바이스용(OLED) 녹색형광물질인 3-크로몬알데히드(2,2-이치환)하이드라존 유도체의 합성에 관한 것으로서, 유도체들은 탈수축합반응으로 합성되었다. 이들은 전자흡인성의 3-크로몬알데히드류와 전자공여성의 2,2-이치환하이드라존류의 공액구조를 가지고 있다. 합성한 물질은 각각 FT-IR, $^1H-NMR$ 스펙트럼으로부터 그의 구조적 특성을 확인하였고, 융점, 수득률에 의하여 열적 안정성, 반응성을 확인하였으며, 여기스펙트럼과 발광스펙트럼으로부터 자외가시광과 발광특성을 확인하였다.

• 한국자기공명학회논문지
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• 제22권2호
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• pp.26-33
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• 2018

Xanthium sibiricum is used as a traditional folk medicine for the treatment of cancer, fever, headache, nasal sinusitis, and skin pruritus. This study aimed to identify components from Xanthium sibiricum extracts using an SPE-800MHz NMR-MS hyphenated system. The simultaneous acquisition of MS and NMR spectra from the same chromatographic peaks significantly increases the depth of information acquired for the compound and allows the elucidation of structures that would not be possible using MS or NMR data alone. LC -NMR analysis was conducted using a HPLC separation system coupled to 800 MHz spectrometer equipped with a cryoprobe, and a SPE unit was used to automatically trap chromatographic peaks using a HPLC pump. LC-MS analysis was conducted with a Q-TOF MS instrument using ESI ionization in the negative ion mode. Using the hyphenated analysis, several secondary metabolites were identified, such as 3',5'-O-dicaffeoylquinic acid, 1',5'-O-dicaffeoyl- quinic acid, and ethyl caffeate. These results demonstrate that the SPE-800MHz NMR-MS hyphenated system can be used to identify metabolites within natural products that have complex mixtures.

• Bulletin of the Korean Chemical Society
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• 제17권11호
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• pp.1052-1056
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• 1996

The effects of β-CD, Me-β-CD, and biphenyl capped β-CD on 1H NMR spectra of mandelic acid 1, α-methylbenzylamine 2 and 2-phenylpropionic acid 3 were investigated. Enantiomeric recognition was observed for mandelic acid 1 by all the hosts used, for α-methylbenzylamine 2 by β-CD and Me-β-CD, and for 2-phenylpropionic acid 3 by Me-β-CD. In the presence of biphenyl-capped β-CD, ο-, m-, and p-protons of the phenyl groups of the guests are discriminated due to ring current of the capped biphenyl group. The splitting pattern of the phenyl protons indicates that the phenyl group of the guests is inserted into the β-CD cavity from the secondary hydroxyl side and positioned in close proximity to the capped biphenyl ring. The magnitude of the upfield shifts of H3 and H5 protons of β-CD upon binding of guests 1-3 is similar to that caused by ephedrine or pseudoephedrine, suggesting that the substitution at benzylic carbon atom has little effect on the depth of the insertion of the phenyl group into the β-CD cavity and stability of the inclusion complexes.

• 한국자기공명학회논문지
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• 제4권2호
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• pp.125-132
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• 2000

The detailed $^1$H and $^{13}$ C NMR assignments of a novel sucrose isovaleryl ester isolated from the seed of Euphorbia Lathyris L., were achieved by one-and two-dimensional techniques. The new sucrose ester was characterized as an $\alpha$-D-glucopyranoside, 3,4,6-tris-O-(3-methyl-1-oxobutyl)-$\beta$-D-fructofuranosyl, 2,6-bis(3-methylbutanoate); sucrose 4,7,8,11,12-pentaisovalerate by MS and NMR experiments.

• 한국자기공명학회논문지
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• 제3권2호
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• pp.84-89
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• 1999

The 87Rb quadrupole coupling constants (e2qQ/h) and the asymmetry parameters (η) in RbMnCl3 were determined from a nonlinear least-squares fit to the 87Rb NMR powder spectra. The spectra were acquired in the temperature range from 260K to 330K. An important feature in this work is the determination of the quadrupole coupling constants and the asymmetry parameters for two physically nonequivalent Rb sites, Rb(I) and Rb(II), as a function of temperature. In addition, a structural phase transition at room temperature was conformed with the changes in the quadrupole coupling constant and the asymmetry parameter of Rb(II) site.

• 공업화학
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• 제18권6호
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• pp.587-591
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• 2007

본 연구는 유기발광디바이스용 적색형광물질인 6-(10-알킬페노티아진-3-비닐렌)-2-메틸-4-디시아노메틸렌-4H-피란 합성에 관한 것으로서 유도체들은 Knoevenagel 축합반응에 의하여 합성되었다. 이들은 전자공여성의 6-(10-알킬페노티아진-3-비닐렌)기와 전자흡인성의 2-메틸-4-디시아노메틸렌-4H-피란의 공액구조를 가지고 있다. 합성한 물질은 각각 FT-IR, $^1H-NMR$ 등을 통하여 그의 구조적 특성을 확인하였고, 융점, 수득율을 통하여 열적 안정성, 반응성 등을 확인하였으며, UV-visible과 PL분석으로부터 이 형광재료들의 광학적 특성을 확인하였다.