• Title/Summary/Keyword: chemical shift

Search Result 888, Processing Time 0.027 seconds

Charge Flow in KH2PO4 Lattice Structure by Using the Proton-Beam Irradiation

  • Han, Doug-Young;Han, Jun-Hee;Lee, Cheal-Eui;Kim, Se-Hun
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.12 no.2
    • /
    • pp.111-118
    • /
    • 2008
  • The mechanism of charge flow has been probed by measuring the $^{1}H$ chemical shift on a proton-irradiated ${KH_2}{PO_4}$ (KDP) single crystal. The proton irradiation caused the increase in $^{1}H$ chemical shift. It can be interpreted as the electronic charge transfer from the proton to oxygen atom, accompanied with the proton displacement along the hydrogen bond. For the high resolution $^{1}H$ chemical shift measurement, CRAMPS (Combined Rotation And Multiple Pulses) technique is utilized.

$^1$H-NMR Studies of Chiral Solvating Agent Induced - Chemical Shift Differences of Ibuprofen Enantiomers

  • Lee, Jae-Yong;Seo, Sang-Hun;Hong, Seon-Pyo;Kim, Kyeong-Ho
    • Proceedings of the PSK Conference
    • /
    • 2003.10b
    • /
    • pp.223.3-224
    • /
    • 2003
  • Chiral discrimination of ibuprofen by $^1$H-NMR using several chiral solvating agents such as (-)-brucine, (-)-cinchonidine, (1R, 2S)-(-)-ephedrine, (S)-(-)-${\alpha}$- methylbenzylamine, (-)-strychnine and L-(-)-tryptophane was investigated. Racemic ibuprofen treated with one equivalent of chiral solvating agent was preferentially crystallized. Chiral purity of each precipitates was measured by chiral HPLC and chemical shift differences(ΔΔ$\delta$) was calculated. Eventhough (S)-(-)-${\alpha}$-methylbenzylamine was most effective for the preferential recrystalization of (S)-(+)-ibuprofen, chemical shift differentiation ability was weak. (omitted)

  • PDF

Proton Magnetic Resonance Studies of Dipeptides (Dipeptide의 陽性子 磁氣共鳴硏究)

  • Kwon Soon Ja;Chunghi Rhee
    • Journal of the Korean Chemical Society
    • /
    • v.21 no.3
    • /
    • pp.171-179
    • /
    • 1977
  • Proton magnetic resonance spectra of five glycine-containing dipeptides glycyl-L-valine, L-valyl-glycine, glycyl-DL-alanine, glycyl-DL-serine and glycyl-L-aspartic acid in $D_2O$ were investigated as a function of pH at room temperature. From the analysis of the spectra, it was found that the chemical shift of the $C_{\alpha}H,\;C_{\beta}H\;and\;C_rH$protons varies with pH as a one-step titration curve, and that the spin-spin coupling constant remains almost unchanged. Two distinct values of the chemical shift for $C_{\alpha}H,\;C_{\beta}H\;or\;C_rH$protons of constituent amino acids in dipeptide solutions indicate the existence of two magnetically non-equivalent sites in solution. From this study, the structures of the five dipeptides have been confirmed by proton magnetic resonance spectra and it has been suggested that the structural change, conformation and sequence determination can be explored for oligopeptides by an analysis of proton magnetic resonance spectra.

  • PDF

Dynamic Simulation of Membrane Reactor for WGS Reaction (Water Gas Shift (WGS) 공정에 대한 분리막 반응기의 동적 모사)

  • Oh, Min;Yi, Yong;Hong, Seong-Uk
    • Membrane Journal
    • /
    • v.20 no.3
    • /
    • pp.228-234
    • /
    • 2010
  • In this study, dynamic simulation of membrane reactor was performed for water gas shift reaction and temperature, hydrogen concentration, etc. were investigated as a function of time and position. Simulation results indicated that differences of hydrogen concentration, hydrogen partial pressure, and temperature in the radial direction, were larger in the entrance than in the exit. In addition, the hydrogen flux was the largest in the entrance, where the hydrogen partial pressure difference was the largest, and the conversion of carbon monoxide in the exit was about 0.65.

Quantitative Analysis of t-Cinnamaldehyde of Cinnamomum cassia by $^1H-NMR$ Spectrometry ($^1H-NMR$을 이용한 계피의 t-cinnamaldehyde 정량분석)

  • Song, Myoung-Chong;Yoo, Jong-Su;Baek, Nam-In
    • Applied Biological Chemistry
    • /
    • v.48 no.3
    • /
    • pp.267-272
    • /
    • 2005
  • trans-Cinnamaldehyde, a major component of Cinnamomum cassia, was quantitatively analyzed using the $^1H-NMR$ spectrometry. Applicability of this method was confirmed through observing the variation of chemical shift in the $^1H-NMR$ spectrum of t-cinnamaldehyde and the integration value according to various sample concentrations or running temperatures. When the $^1H-NMR$ spectrometry was run for t-cinnamaldehyde (7.1429 mg/ml) at 19, 25, 30, 40 and $50^{\circ}C$, the chemical shifts of the doublet methine signal due to an aldehyde group were observed at 9.7202, 9.7184, 9.7169, 9.7142 and 9.7124 ppm, respectively, to imply that the running temperature had no significant variation in the chemical shift of the signal. The integration values of the signal were $1.37\;(19^{\circ}C),\;1.37\;(25^{\circ}C),\;1.37\;(30^{\circ}C),\;1.37(40^{\circ}C)$ and $1.37(50^{\circ}C)$, respectively, to also indicate running temperature gave no effect on the integration value. When the sample solutions with various concentrations such as 0.4464, 0.8929, 1.7857, 3.5714, 7.1429 and 14.286 mg/ml were respectively measured for the $^1H-NMR$ at $25^{\circ}C$, the chemical shifts of the aldehyde group were observed at 9.7206, 9.7201, 9.7196, 9.7192, 9.7185 and 9.7174 ppm. Even though the signal was slightly shifted to the high field in proportion to the increase of sample concentration, the alteration was not significant enough to applicate this method. The calibration curve for integration values of the doublet methine signal due to the aldehyde group vs the sample concentration was linear and showed very high regression rate ($r^2=1.0000$). Meantime, the $^1H-NMR$ spectra (7.1429 mg/ml $CDCl_3,\;25^{\circ}C$) of t-cinnamaldehyde and t-2-methoxycinnamaldehyde, another constituent of Cinnamomum cassia, showed the chemical shifts of the aldehyde group as ${\delta}_H$ 9.7174 (9.7078, 9.7270) for the former compound and ${\delta}_H$ 9.6936 (9.6839, 9.7032) for the latter one. The difference of the chemical shift between two compounds was big enough to be distinguished using the NMR spectrometer with 0.45 Hz of resolution. The contents of cinnamaldehyde in Cinnamomum cassia, which were respectively extracted with n-hexane, $CHCl_3$, and EtOAc, were determiend as 94.2 \;mg/g (0.94%), 137.6 mg/g (1.38%) and 140.1 mg/g(1.40%) t-cinnamaldehyde in each extract, respectively, by using the above method.

Water Gas Shift Reaction in Palladium/Ceramic Membrane Reactor (팔라듐/세라믹 막반응기를 이용한 수성가스전환반응)

  • Choi, Tae-Ho;So, Won-Wook;Kim, Kwang-Je;Moon, Sang-Jin;Hyung, Gi-Woo;Chough, Sung Hyo
    • Applied Chemistry for Engineering
    • /
    • v.16 no.2
    • /
    • pp.282-287
    • /
    • 2005
  • Palladium membranes, which are permselective to hydrogen separation, were used for the hydrogen purification and in membrane reactors for improving conversions by shifting the reaction equilibrium. Palladium/ceramic composite membranes were prepared by electroless plating technique and then etched in titanium chloride ($TiCl_4$) as a post treatment to enhance the membrane's durability. These membranes were used for membrane reactors in water gas shift (WGS) reaction. CO conversions for the membrane reactor were obtained according to experimental parameters and compared to the traditional reactor without a palladium/ceramic membrane. As a result, CO conversion using palladium membrane reactor at an appropriate condition was over 20~25% greater than that without the membrane reactor. The stability in the long-term test of up to 120 h for WGS reaction with the membrane reactor was good without the degredation of CO conversion.