• Bulletin of the Korean Chemical Society
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• v.19 no.1
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• pp.68-74
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• 1998

The complexation of ethylammonium ion by alkyl p-tert-butylcalix[6]aryl ester derivatives was studied via measurements of proton and carbon spin-lattice relaxation times $(T_1)$ and chemical shift changes in solution state $(CDCl_3)$. The results indicate that the endo-type complexes are formed and that the overall tumbling rates of these complexes are more rapid than those of the corresponding free hosts. The association constants for these complexes in $THF-d_8$ were determined by $^1H$ NMR titration at several different temperatures to estimate the relevant thermodynamic parameters. The logK's for ethylammonium complexes of methyl, ethyl, and propyl esters at 313 K, for example, were found to be 1.56, 3.41, and 3.08, respectively. The complexes formed may be thought of as being kinetically stable in view of their $^1H$ NMR behavior in 2 : 1 host/guest solution.

• Bulletin of the Korean Chemical Society
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• v.19 no.9
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• pp.980-985
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• 1998

The excited-state intramolecular proton transfer (ESIPT) emission has been observed for 0.01 mM p-aminosalicylic acid (AS) in nonpolar aprotic solvents as demonstrated by the large Stokes' shifted fluorescence emission around 440 nm in addition to the normal emission at 330 nm. However in aprotic polar solvent such as acetonitrile, the large Stokes' shifted emission band becomes broadened, indicating existence of another emission band originated from intramolecular charge transfer (ICT). It is noteworthy that in protic solvents such as methanol and ethanol the normal and ICT emissions are quenched as the AS concentration decreases, followed by the appearance of new emission at 380 nm. These results are interpreted in terms of ESIPT coupled charge transfer in AS. Being consistent with these steady-state spectroscopic results, the picosecond time-resolved fluorescence study unravelled the decay dynamics of the ESIPT and ICT state ca. 300 ps and ca. 150 ps, respectively with ca. 40 ps for the relaxation time to form the ICT state.

• Investigative Magnetic Resonance Imaging
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• v.23 no.2
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• pp.148-156
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• 2019

Hyperglycemia-induced hemichorea (HGHC) is a rare but characteristic hyperkinetic movement disorder involving limbs on one side of the body. In a 75-year-old woman with a left-sided HGHC, conventional brain MR imaging showed very subtle T1-hyperintensity and unique gadolinium enhancement in the basal ganglia contralateral to movements. Multi-parametric MRI was acquired using pulse sequence with quantification of relaxation times and proton density by multi-echo acquisition. Myelin map was reconstructed based on new tissue classification modeling. In this case report of multi-parametric MRI, quantitative measurement of myelin change related to HGHC in brain structures and its possible explanations are presented. This is the first study to demonstrate myelin loss related to hyperglycemic insult in multi-parametric quantitative MR imaging.

• Investigative Magnetic Resonance Imaging
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• v.2 no.1
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• pp.73-82
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• 1998

Purpose : A precise NMR technique for measuring the rate of water exchange and cell membrane permeability across the hepatocyte membrane using liver-specific MR contrast agent is described. Materials and Methods : The rat hepatocytes isolated by perfusion of the livers were used for the NMR measurements. All experiments were performed on an IBM field cycling relaxometer operating from 0.02MHz to 60 MHz proton Larmor frequency. spin-echo pulse sequence was empolyed to measure spin-lattice relaxation time, T1. The continuous distribution analysis of water proton T1 data from rat hepatocytes containing low concentrations of the liver specific contrast agent, Gd-EOB-DTPA, modeled by a general two compartment exchange model. Results : The mean residence time of water molecule inside the hepatocyte was approximately 250 msec. The lower limit for the permeability of the hepatocyte membrane was $(1.3{\pm}0.1){\;}{\times}{\;}10^{-3}cm/sec$. The CONTIN analysis, which seeks the natural distribution of relaxation times, reveals direct evidence of the effect of diffusive exchange. the diffusive water exchange is not small in the intracellular space in the case of hepatocytes. Conclusions : Gd-EOB-DTPA, when combined with continuous distribution analysis, provides a robust method to study water exchange and membrane permeability in hepatocytes. Water exchange in hepatocyte is much slower thatn that in red blood cells. Therefore, tissue-specific contrast agent may be used as a functional agent to give physiological information such as cell membrane permeability.

• Archives of Pharmacal Research
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• v.23 no.1
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• pp.72-78
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• 2000

The general pharmacological properties of YJA20379-1 2-dimethylamino-4,5-dihydrothiazolo[4,5:3,4]pyridol[1,2-a]benzoimidazole, a novel proton pump inhibitor with antiulcer activities were investigated in mice, rats, guinea pigs and rabbits. YJA20379-2 at oral doses of 50, 100 and 200 mg/kg did not affect the general behaviour, hexobarbital hypnosis and motor coordination in mice. The drug did not have analgesic or anticonvulsant action at 200 mg/kg. Locomotor activity and body temperature were not influenced at 100 mg/kg. At a concentration up to 2{\times}10^{-4} g/ml$, YJA20379-2 did not produce any contraction or relaxation of isolated preparations, such as the rat fundus, the guinea pig ileum and the rat uterus, and did not antagonize the contractile response to several spasmogens, such as histamine, acetylcholine, serotonin and oxytocin. At dosages up to 200 mg/kg p.o. YJA20379-2 did not affect the pupil size of mice. Intestinal propulsion of mice was not affected up to 200 mg/kg p.o. and the drug did not affect urinary excretion at 100 mg/kg p.o. These results indicate that at dosages up to 100 gm/kg p.o. YJA20379-2 was found not to affect this pharmacological profile. However, at 200 mg/kg the drug lowered body temperature and showed decreased in locomotor activity and urine volume.

• Journal of Photoscience
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• v.9 no.2
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• pp.106-109
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• 2002

Archaeal rhodopsins possess retinal molecule as their chromophores, and their light-energy and light-signal conversions are triggered by all-trans to 13-cis isomerization of the retinal chromophore. Relaxation through structural changes of protein then leads to functional processes, proton pump in bacteriorhodopsin (bR) and transducer activation in phoborhodopsin (pR). It is known that sensory rhodopsins can pump protons in the absence of their transducers. Thus, there should be common and specific features in their protein structural changes for function. In this paper, our r ecent studies on pR from Natronobacterium pharaonis (ppR) by means of low-temperature Fourier-transform infrared (FTIR) spectroscopy are compared with those of bR. In particular, protein structural changes upon retinal photoisomerization are studied. Comparative investigation of ppR and bR revealed the similar structures of the polyene chain of the chromophore and water-containing hydrogen-bonding network, whereas the structural changes upon photoisomerization were more extended in ppR than in bR. Extended protein structural changes were clearly shown by the assignment of the C=O stretch of Asnl05. FTIR studies of a ppR mutant with the same retinal binding site as in bR revealed that the Schiff base region is important to determine their colors.

• Journal of the Korean Magnetic Resonance Society
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• v.12 no.1
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• pp.14-25
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• 2008

To investigate the 3-bond connectivity of human brain metabolites by scalar coupling interaction through 2D-correlation spectroscopy (COSY) techniques using high field NMR spectroscopy. All NMR experiments were performed at 298K on Unity Inova 500 or 600 (Varian Inc.) equipped with a triple resonance probe head with z-shield gradient. Human brain metabolites were prepared with 10% $D_2O$. Two dimensional 2D COSY spectra were acquired with 4096 complex data points in $t_2$ and 128 or 256 increments in $t_1$ dimension. The spectral width was 9615.4 Hz and solvent suppression was achieved using presaturation using low power irradiation of the water resonance during 2s of relaxation delay. NMR data were processed using VNMRJ (Varian Instrument) software and all the chemical shifts were referenced to the methyl resonance of N-acetyl aspartate (NAA) peak at 2.0 ppm. Total 10 metabolites such as N-acetyl aspartate (NAA), creatine (Cr), choline (Cho), glutamine (Gln), glutamate (Glu), myo-inositol (Ins), lactate (Lac), taurine (Tau), ${\gamma}$-aminobutyricacid (GABA), alanine (Ala) were included for major target metabolites. Symmetrical 2D-COSY spectra were successfully acquired. Total 14 COSY cross peaks were observed even though there were parallel/orthogonal noisy peaks induced by water suppression. Except for Cr, all of human brain metabolites produced COSY cross peaks. The spectra of NAA methyl proton at 2.02 ppm and Glu methylene proton ($CH_2(3)$) at 2.11 ppm and Gln methylene proton ($CH_2(3)$) at 2.14 ppm were overlapped in the similar resonance frequency between 2.00 ppm and 2.15 ppm. The present study demonstrated that in vitro 2D-COSY represented the 3-bond connectivity of human brain metabolites by scalar coupling interaction. This study could aid in better understanding the interactions between human brain metabolites in vivo 2D-COSY study. Also it would be helpful to determine the molecular stereochemistry in vivo by using two-dimensional MR spectroscopy.

• Nuclear Engineering and Technology
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• v.38 no.3
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• pp.201-210
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• 2006

This article presents a brief overview of an important area of neutron scattering: the general principles and techniques of elastic, quasielastic and inelastic scattering from a system composed predominately of incoherent scatterers. The methodology is then applied to the study of water, specifically when it is confined in nanometer-scale environments. The confined water exhibits uniquely anomalous properties in the supercooled state. It also nourishes biological functions, and supports essential chemical reactions in living systems. We focus on recent investigations of water encapsulated in nanoporous silica and carbon nanotubes, hydrated water in proteins and water or hydroxyl species incorporated in nanostructured minerals. Through these scientific examples, we demonstrate the advantages derived from the high sensitivity of incoherent neutron spectroscopy to hydrogen atom motions and hydrogen-bond dynamics, aided by rigorous data interpretation method using molecular dynamics simulations or theoretical modelling. This enables us to probe the inter-/intramolecular vibrations and relaxation/diffusion processes of water molecules in a complex environment.

• Bulletin of the Korean Chemical Society
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• v.14 no.5
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• pp.599-602
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• 1993

Micellization process of dodecyltrimethylammonium bromide (DTAB) was studied by using the aromatic probe (benzene) which dissolved in aqueous DTAB solutions. Proton NMR chemical shift measurements of DTAB and DTAB-benzene system showed that benzene molecules solubilized near the micelle-water interface and that the solubilization sites within the micelles are different as the DTAB concentration is passing through 32.0 mM (hereafter we refer this concentration as the second CMC). The change of solubilization sites is also confirmed by abrupt changes of the chemical shifts and relaxation rates of benzene protons in DATB-benzene system at this concentration. It was revealed from the electrical conductivity and viscosity measurements that the solubilization of benzene caused the DTAB micelles to swell out and that the micelles prepared after the second CMC had a greater swelling effect than those prepared before the second CMC. The transition point which reflects the saturation of benzene molecules on the solubilization sites of micelles was observed at one benzene/micellized DTAB mole ratio from the electrical conductivity measurements. Along the different concentration of DTAB solution, this transition point is appeared clearly after the second CMC. From these results it is suggested that the shapes and/or sizes of DTAB micelles of the spherical micelle region prepared after the second CMC are different from those prepared before the second CMC.

• Nuclear Engineering and Technology
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• v.55 no.10
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• pp.3768-3774
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• 2023

The purpose of the target system for the muon spin rotation, relaxation, and resonance (µSR) facility at the Rare isotope Accelerator complex for ON-line experiments (RAON) is to induce the production of a significant number of surface muons in thermally stable experiments. The manufactured target system was installed at RAON in the Sindong area near Daejeon in 2021. The design was made conservatively with a sufficient margin of safety through ANSYS calculations; however, verification experiments had to be performed on the ANSYS calculations. Because the 600-MeV proton beam has not yet been provided, an alternative way to reproduce the calculation conditions was required. The radio frequency (RF) heating method, which has not yet been applied to the target verification experiment but has several advantages, was used. It was observed that the RF heating method has promise for testing the thermal stability of the target, and whether the target system design process was performed conservatively enough was verified by comparing the RF heating experiments with the ANSYS calculations.