• Korean Journal of Crystallography
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• v.12 no.3
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• pp.137-140
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• 2001

Compound PdCl₂(Phc≡N)₂(1) reacted with 2,6-diisopropylaniline to give trans-[Pd(NH₂-C/sub 6/-H₃-2, 6-i-Pr₂)₂Cl₂] (2). Compound 2 was characterized by spectroscopy (¹H-NMR, /sup 13/C-NMR, and IR) and X-ray diffraction. Crystallographic data for 2: monoclinic space group P2₁/n, a=13.532(3) Å, b=5.749(1) Å, c=17.880(4)Å, β=103.84(2)°, Z=2, R(wR₂)=0.0466(0.1226).

• Journal of the Korean Magnetic Resonance Society
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• v.15 no.2
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• pp.90-103
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• 2011

Cornus officinalis (Cornaceae) is primarily grown in Asian countries. The pericarp of C. officinalis (Corni Fructus) is a well-known traditional medicine with tonic, analgesic, and diuretic properties. We analyzed methanolic extracts of Corni Fructus (grown in Korea and China) by $^1H$ NMR spectroscopy. Metabolite profiling was performed to characterize the metabolic difference between different Corni Fructus origins (Korea or China). Principal components analysis revealed significant separation between Comus Fructus from different origins. The metabolites responsible for differences were identified using loading plots, coefficients plots, and variable influence on projection followed by t-tests. As a result, 16 metabolites were identified and quantified; tyrosine, acetate, sucrose, and malate differed the most between origins. These data suggest that NMR-based metabolomics can be used to identify differences between Corni Fructus samples obtained from different regions.

• Archives of Pharmacal Research
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• v.14 no.3
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• pp.237-241
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• 1991

The tautomerism in 3-phenyl-4-arylazo-5-isoxazolones 1 was examined by $^1H-NMR$ spectra of $^15N-labeled$ compound and by HMO method. Both spectra data $(^1H-NMR\;and\;IR)$ and bonding energies are in support of the assignment of the hydrazone structure to such compounds. It is further shown that intermolecular and intramolecular hydrogen bondings favor the hydrazone tautomer.

• Bulletin of the Korean Chemical Society
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• v.20 no.10
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• pp.1145-1148
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• 1999

1H NMR spectra of methyl-, ethyl-, propyl-, isopropyl-, butyl-, N-methylethyl-, N-methylpropyl-, and N-methylisopropylamine coordinated to the paramagnetic 11-tungstocobalto(II)silicate anion (SiW11Co) in dimethylsulfoxide-d6 or dimethylformamide-d7 are reported. For these complexes the ligand exchange is slow on the NMR time scale and pure 1H NMR signals have been observed at room temperature. No complex is detected in D2O. From the pseudocontact shifts of the CH2 and CH3 groups in ethylamine the energy of the gauche conformers with respect to the anti conformer is estimated. Two diastereotopic protons in the CH2 group of N-methylethylamine have quite different chemical shifts especially at low temperatures (e.g. 48.5 vs. 19.4 ppm at -10℃). This may be attributed mainly to the different positions of the two protons in the most stable (gauche) conformer.

• 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 𝛿_H 7.30~7.21 ppm showed the presence of aromatic protons of PhE as well as benzyl CH₂ protons at 𝛿_H 2.88 ppm. Up field proton peaks at 𝛿_H 4.31 ppm, 4.07 ppm and multiple peaks from 𝛿_H 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.

• Food Science and Biotechnology
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• v.17 no.3
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• pp.573-577
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• 2008

$^1H$-Nuclear magnetic resonance (NMR) spectrometry was applied to the quantitative analysis of coumarins in the roots of Angelica gigas without any chromatographic purification. The experiment was performed by the analysis of each singlet germinal methyl, which was well separated in the range of 1.0-2.0 ppm in the $^1H$-NMR spectrum. The quantity of the compounds was calculated by the ratio of the intensity of each compound to the known amount of internal standard (dimethyl terephthalate). These results were compared with the conventional gas chromatography (GC) method. The contents of decursin and decursinol angelate in A. gigas were determined $1.98{\pm}0.07$, $1.13{\pm}0.08%$ in quantitative $^1H$-NMR method and $2.06{\pm}0.24$, $1.17{\pm}0.24%$ in GC method, respectively. The advantages of quantitative $^1H$-NMR analysis are that can be analyzed to identify and quantify, and no reference compounds required for calibration curves. Besides, it allows rapid and simple quantification for coumarins with an analysis time for only 10 min without any preprocessing.

• Proceedings of the Korean Society of Applied Pharmacology
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• 1994.04a
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• pp.179-179
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• 1994

새로운 항생물질을 개발하기 위하여 토양으로부터 분리한 균주를 액체 및 고체배지에서 배양하여 여러 검정균에 대하여 종이디스크법으로 항균효력을 조사하였다. 그 결과 (+), G(-), fungi 등에 강한 항균 효력을 보인 토양균 SNUS 8810-43과 Mycobacterium, fungi에 항균력을 보인 토양균 SNUS 8810-129를 선택하여 각각의 배양액에서 항생물질을 분리하고, 분리한 항생물질의 구조를 규명하고자 하였다. 토양균 SNUS 8810-43의 배양액으로부터 항생물질을 분리하기 위하여 양이온 교환 수지 관 크로마토그래피와 셀룰로오스 관 크로마토그래피를 수행하여 시료 JJH-II-46-43을 얻었다. 시료 JJH-II-46-43의 IR, $^1$H-NMR, $^{13}$C-NMR, $^1$H-$^1$H COSY, $^1$H-$^{13}$C COSY, FAB-MS 스펙트럼을 얻어 분리한 항생물질의 구조를 분석하여 이 항생물질의 구조가 N-methylstreptothricin과 동일하다는 것을 확인하였다. Mycobacterium smegmatis에 강한 활성을 나타내는 물질을 토양균 SNUS 8810-129로 부터 분리하였다. 토양균 SNUS 8810-129를 배양한 V-8 아가판을 메탄올로 추출하여 이를 실리카겔 관 크로마토그래피와 preparative TLC로 시료 LCH-IV-17B, LCH-III-387을 얻었다. 시료LCH-IV-l7B, LCH-III-387의 $^1$H-NMR, $^{13}$C-NMR, FAB-MS, CI-MS, IR등의 스펙트럼을 얻어 분리한 항생물질의 구조를 분석하여 이 항생물질이 glycolipid계 항생물질이라는 것을 알았다. $^{13}$C-NMR 상의 자료와 화학적인 방법으로 구성당을 조사한 결과 이 항생물질을 이루고있는 당은 rhamnose 임을 알았다. 또 이 항생물질을 구성하는 지방산은 화학적인 방법과 MS 스펙트럼, $^{13}$C-NMR 스펙트럼으로부터 hydroxydecanoic acid인 것으로 확인되었다. 항생물질 LCH-III-387와 항생물질 LCH-IV-l7B는 각각 rhamnose를 1, 2개 포함하고 있는 것으로 확인되었다. 그리고 동일한 탄소수의 지방산을 가지고 있는 것으로 생각되었다. 이들 항생물질을 이루는 구성당과 지방산간의 정확한 연결및 구조, 생리활성에 관한 연구는 계속 수행중에 있다.

• 한국신재생에너지학회:학술대회논문집
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• 2006.11a
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• pp.58-61
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• 2006

n-Pentane and n-hexane, previously regarded as non-hydrate formers, are found to form structure H hydrate in mixtures with 2,2-dimethylbutane. Even though they are thought to be too large to fit into the largest cage of the structure H hydrate, powder XRD and NMR measurements show that they form gas hydrates in mixtures with other sH hydrate former. These findings are of fundamental interest and also will impact the composition and location of natural gas hydrates and their potential as global energy resource and climate change materials.

• Archives of Pharmacal Research
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• v.18 no.5
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• pp.361-363
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• 1995

Two furofuran lignans, sesamolin and sesangolin were isolated from the seeds of Sesamum indicum and S.angolense, respectively. Detailed analysis of the $^1H-and^{13}C-NMR$ spectra of these lignans was carried out by the application of two-dimensional $^1H-^1/H\; COSY\; and^1/H^{13}C$ multiple-bond, multiple-quantum spectroscopic correlation techniques.

• Analytical Science and Technology
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• v.14 no.1
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• pp.1-7
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• 2001

6,6-Dichlorobicyclo[3, 1, 0]hexane-3carboxylic acid was synthesized by dichlorocarbene addition into 3-cyclopentenecarboxylic acid using BTEA.Cl as phase transfer catalyst. $^1H$ NMR $^{13}C$ NMR data analyst showed that this compound had boat-like conformation and carboxyl group existed as trans form.