• Natural Product Sciences
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• v.22 no.1
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• pp.30-34
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• 2016

A simple and rapid method based on proton nuclear magnetic resonance spectroscopy was developed for determination of trans-anethole content in fennel essential oil. Spectra of pure trans-anethole, of the pure essential oil of fennel, and of the pure oil of fennel with thymol internal standard were recorded. The signal of $H-1^/$ was used for quantification of trans-anethole. This proton signal is well separated in the proton magnetic resonance spectrum of the compound. No reference compound is needed and cheap internal standard was used. The results obtained from spectroscopic analysis were compared with those obtained by gas chromatography. Additionally, the developed method was used for determination of the type of vegetable oil used as a carrier in commercial products, which cannot be quantified as such by gas chromatography. This study demonstrates the application of proton nuclear magnetic resonance spectroscopy as a quality control method for estimation of essential oil components.

• Journal of the Korean Magnetic Resonance Society
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• v.12 no.2
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• pp.111-118
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• 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.

• Journal of the Korean Magnetic Resonance Society
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• v.19 no.1
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• pp.29-35
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• 2015

The microscopic dynamics of $CsH_2PO_4$, with two distinct hydrogen bond lengths, are studied by static nuclear magnetic resonance (NMR) and magic angle spinning (MAS) NMR. The proton dynamics of the two crystallographically inequivalent hydrogen sites were discussed in terms of the $^1H$ NMR and $^1H$ MAS NMR spectra. Although the hydrogen bonds have two inequivalent sites, H(1) and H(2), distinct proton dynamics for the two sites were not found. Further, the $^{133}Cs$ spectrum is more or less continuous near $T_{C1}$ (=153 K). Finally, the phase transition mechanism of $T_{C1}$ in $CsH_2PO_4$ is related to the ordering of protons.

• Journal of the Korean Magnetic Resonance Society
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• v.20 no.1
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• pp.1-6
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• 2016

The proton NMR line widths and spin-lattice relaxation rates, $T_1^{-1}$, of ferroelectric $LiH_3(SeO_3)_2$, $Li_2SO_4{\cdot}H_2O$, and $LiN_2H_5SO_4$ single crystals were measured as a function of temperature. The line width measurements reveal rigid lattice behavior of all the crystals at low temperatures and line narrowing due to molecular motion at higher temperatures. The temperature dependences of the proton $T_1^{-1}$ for these crystals exhibit maxima, which are attributed to the effects of molecular motion by the Bloembergen - Purcell - Pound theory. The activation energies for the molecular motions of $^1H$ in these crystals were obtained. From these analysis, $^1H$ in $LiH_3(SeO_3)_2$ undergoes molecular motion more easily than $^1H$ in $LiN_2H_5SO_4$ and $Li_2SO_4{\cdot}H_2O$ crystals.

• Journal of the Korean Magnetic Resonance Society
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• v.14 no.2
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• pp.134-143
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• 2010

We studied the hydrogen-bonded $TlH_2PO_4$ (TDP) ferroelectrics treated with the proton-beam bombardment. The TDP material was irradiated with 1-MeV proton beam at a dose of $10^{15}/cm^2$. In order to analyze the hydrogen environment in TDP, we carried out the $^1H$ high resolution nuclear magnetic resonance (NMR) - i.e., Combined Rotation And Multiple Pulse Spectroscopy (CRAMPS) measurement. The isotropic chemical shift of hydrogen indicates its displacive property is related to the $PO_4$ lattice deformation which occurs throughout the antiferroelectric-, the ferroelastic- and the paraelastic-phase transitions. The temperature dependence of $\sigma_{iso}$ reveals the electronic charge redistribution is induced by the proton-beam irradiation and the elastic property.

• Journal of the Korean Magnetic Resonance Society
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• v.18 no.1
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• pp.41-46
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• 2014

In order to obtain information on the structural geometry of $NH_4HSeO_4$ near the phase transition temperature, the spectrum and spin-lattice relaxation time in the rotating frame $T_{1{\rho}}$ for the ammonium and hydrogen-bond protons were investigated through $^1H$ MAS NMR. $T_{1{\rho}}$ for the hydrogen-bond protons abruptly decreased at high temperature and it is associated with the change in the structural geometry in $O-H{\cdots}O$ bonds. This mobility of the hydrogen-bond protons may be the main reason for the high conductivity.

• Journal of Biosystems Engineering
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• v.21 no.3
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• pp.336-342
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• 1996

A 4.1MHz$1^H$ Nuclear Magnetic Resonance(NMR) sensor was designed and manufactured to evaluate the internal quality of fruits. The magnet console having 963gauss magnetic field induction was used for the NMR sensor. To optimize and evaluate the NMR sensor, glycerol and sugar-water solutions were used. $^1$H(proton) resonance signals were used to estimate the sugar contents in fruits. Artificial neural network models were developed to predict sugar contents in fruits from the proton resonance signals. The standard errors of prediction(SEP) were 0.565(apple), 0.394(pear) and 0.415(kiwi), respectively. The result implied that it was possible to evaluate apple, pear and kiwi into 3 grades using the NMR sensor.

• Proceedings of the Korean Society for Agricultural Machinery Conference
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• 1996.06c
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• pp.305-312
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• 1996

A 4.1MHz 1H Nuclear Magnetic Resonance (NMR) sensor was designed and manufactured to evaluate the internal quality of fruit. The magnet console having 963 gauss magnetic field induction was used for the NMR sensor. To optimize evaluate the NMR sensor, glycerol and sugar-water solutions were used. 1H(proton) resonance signals were use of to estimate the sugar contents in fruits the proton resonance signals and were validated . The standard errors of predictions(SEP) were 0.565(apple) , 0.394(pear) and 0.415(kiwi) respectively. The result implied that is possible to evaluate apple , pear and kiwi into 3 grades using the NMR sensor.

• Journal of the Korean Magnetic Resonance Society
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• v.11 no.2
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• pp.64-72
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• 2007

[ $^1H$ ] nuclear magnetic resonance (NMR) experiments have been performed at 30 - 300 K and 7 T to investigate dynamics of hydrogen bond network in the single crystal $(NH_4)_3H(SO_4)_2$. The two proton sites, ammonium proton and hydrogen-bond proton, are identified from the $^1H$ NMR MAS spectrum at 340 K. As temperature decreases, the $^1H$ NMR spectrum shifts to the higher frequency side with a larger linewidth. The spectrum at 65 K shows a distinctive change in line shape toward the ferroelectric transition at 63 K. The measured values of $T_1$ for ammonium and hydrogen-bond protons are similar in the whole range of temperature. $T_1$ of $^1H$ NMR shows a gradual decrease down to 120 K and starts to steeply increase below 100 K. Then $T_1$ shows abrupt decrease below 70 K with a sharp minimum at 63 K, where the ferroelectric transition occurs. This temperature dependence of spectrum and $T_1$ clearly prove that the large change in the dynamics of hydrogen bond network is associated with the ferroelectric phase transition at 63 K.

• Journal of the Korean Magnetic Resonance Society
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• v.11 no.1
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• pp.48-55
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• 2007

NMR signals of two hemes were assigned to particular hemes in the crystal structures by nuclear Overhauser effect experiments. The results showed that the hemes with the highest and lowest redox potentials in the one-electron reduction process correspond to the hemes I and IV in the crystal structure.