• Title/Summary/Keyword: Protons

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Study on the micellization of cetyltrimethyl ammonium bromide in 4-biphenyl acetate solution (4-biphenyl acetate 수용액에서 Cetyltrimethyl Ammonium Bromide의 미셀화에 관한 연구)

  • Oh, Jung Hee
    • Analytical Science and Technology
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    • v.8 no.2
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    • pp.107-116
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    • 1995
  • The critical micelle concentration(CMC) of CTAB was determined with changes in absorbance at 202nm band of 4-biphenyl acetate($BPA^-$). With $BPA^-$ as a probe, the effect of temperature on CMC of CTAB has been observed between $30^{\circ}C{\sim}70^{\circ}C$. In this range of temperature the values of CMC are $1.18{\times}10^{-4}{\sim}2.02{\times}10^{-4}M$. The free energy(${\Delta}G^{\circ}m$) and enthalpy(${\Delta}H^{\circ}m$)for the micellization of CTAB was negative and the entropy(${\Delta}S^{\circ}m$) was a large positive value. The micellization of CTAB is considered as a spontaneous process and to involve a phase transition. The orientational binding of 4-biphenyl acetate anion to the CTAB micelle interface has been studied with $300MHz\;H^1-NMR$ data. The change in chemical shift of proton in CTAB as well as those of the protons in $BPA^-$ have been investigated by increasing the mole fraction of the anion in the mixed solutions. The changes in chemical shift with increasing mole fraction of anion($BPA^-$) indicate the formation of mixed micelle between CTAB and $BPA^-$. The changes in chemical shifts of methylene protons in CTAB, demonstrate the penetration of $BPA^-$ into the palisade layer of the CTAB micelle.

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The Study on In-situ Measurement of Hydrogen Permeability through Polymer Electrolyte Membranes for Fuel Cells (연료전지용 고분자전해질막의 실시간 수소 투과도 측정법 연구)

  • Lim, Yoon Jae;Lee, Chang Hyun
    • Membrane Journal
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    • v.26 no.2
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    • pp.141-145
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    • 2016
  • Polymer electrolyte membranes (PEMs) are key components to determine electrochemical fuel cell performances, in addition to electrode materials. The PEMs need to satisfy selective transport behaviors to small molecules including gases and protons; the PEMs have to transport protons as fast as possible, while they should act as hydrogen barriers, since the permeated gas induces the thermal degradation of cathode catalyst, resulting in rapid electrochemical reduction. To date, limited tools have been used to measure how fast hydrogen gas permeates through PEMs (e.g., Constant volume/variable Pressure (time-lag) method). However, most of the measurements are conducted under vacuum where PEMs are fully dried. Otherwise, the obtained hydrogen permeance is easily changeable, which causes the measurement errors to be large. In this study, hydrogen permeation properties through Nafion212 used as a standard PEM are evaluated using an in-situ measurement system in which both temperature and humidity are controlled at the same time.

Structures of antimicrobial peptides HP (2-20) and interactions between HP(2-20) and membrain studied by NMR spectroscopy

  • Lee, Kwang-Hwan;Lee, Dong-Gun;Park, Yoonkyung;Hahm, Kyung-Soo;Kim, Yangmee
    • Proceedings of the Korean Biophysical Society Conference
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    • 2003.06a
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    • pp.68-68
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    • 2003
  • HP(2-20) (AKKVFKRLEKLEKLFSKIQNDK) derived from the N-terminus of Helicobacter pylori Ribosomal Protein L1 shows potent antimicrobial activity against bacterial, fungi and cancer cells without cytotoxic effect. In order to investigate the relationships between antimicrobial activity and the structures, several analogues have been designed and synthesized. The structures of these peptides in SDS micelles have been investigated using NMR spectroscopy and they revealed that analogue 3 has the longest, well-defined alpha-helix from Val5 to Trp19. NOESY experiments performed on HP and its analogues in nondeuterated SDS micelles show that protons in the indole ring of Trp16 are in close contact with methylene protons of SDS micelles. In order to probe the position of HP and its analogues relative to the SDS micelles, spin-labeled stearate was added. Large effects are observed for the chemical shifts and the intensities of Phe5, Glu9, Phe12, and Trp16 within the helix region by 16-doxylstearate. This result implies that 16-doxylstearate is located in the center of the micelles and the hydrophobic phase of the amphiphilic ${\alpha}$-helix is located in contact with the acyl chains of the micelles. Also, Lys3 and Lys4 at N-terminus and Lys20 at C-terminus may produce an optimal arrangement for electrostatic interactions between the sulfate head groups of the SDS and the positively charged lysyl N$\sub$3/$\^$+/. Interactions between the indole ring of Trp and the membrane, as well as the amphiphilic ${\alpha}$-helical structure of HP induced by Trp at the C-terminus may allow HP to span the lipid bilayer. These structural features are crucial for their potent antibiotic activities.

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A Review on Nuclear Magnetic Resonance Logging: Simulation Schemes (자기공명반응 시뮬레이션 해설 및 비교)

  • Jang, Jae Hwa;Nam, Myung Jin
    • Geophysics and Geophysical Exploration
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    • v.16 no.2
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    • pp.97-105
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    • 2013
  • Nuclear magnetic resonance (NMR) logging has become an important technique for formation evaluation, detecting interaction signals between H protons and applied magnetic fields. Measured decay signals called relaxation, contain important information about density of H protons and different decay rate due to its fluid type in the sensitive area. Thus, petrophysical information such as porosity, permeability and wettability can be estimated through the interpretation of the decay signals. Many researches on random walk simulation have been published, since a simulation method based on random walk for solving exponential decays was adapted in the early of 1950. This study first makes a review on NMR simulation researches, explains two most important methods: simulation with or without considering magnetic field gradient. Lastly, the study makes a comparison between NMR simulation responses with and without magnetic field gradient to show the importance to consider magnetic gradient to analyze the effects of magnetic gradients on NMR responses.

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
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    • v.21 no.3
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    • pp.171-179
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    • 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.

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A New Functional Model of Catechol Dioxygenases: Properties and Reactivity of [Fe(BLPA)DBC]$BPh_4$

  • Lim, Ji H.;Lee, Ho J.;이강봉;Jang, Ho G.
    • Bulletin of the Korean Chemical Society
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    • v.18 no.11
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    • pp.1166-1172
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    • 1997
  • [FeⅢ(BLPA)DBC]BPh4, a new functional model for the catechol dioxygenases, has been synthesized, where BLPA is bis((6-methyl-2-pyridyl)methyl)(2-pyridylmethyl)amine and DBC is 3,5-di-tert-butylcatecholate dianion. The BLPA complex has a structural feature that iron center has a six-coordinate geometry with N4O2 donor set. It exhibits EPR signals at g=5.5 and 8.0 which are typical values for the high-spin FeⅢ (S=5/2) complex with axial symmetry. The BLPA complex reacts with O2 within a few hours to afford intradiol cleavage (75%) and extradiol cleavage (15%) products which is very unique result of all [Fe(L)DBC] complexes studied. The iron-catecholate interaction of BLPA complex is significantly stronger, resulting in the enhanced covalency of the metal-catecholate bonds and low energy catecholate to FeⅢ charge transfer bands at 583 and 962 nm in CH3CN. The enhanced covalency is also reflected by the isotropic shifts exhibited by the DBC protons, which indicate increased semiquinone character. The greater semiquinone character in the BLPA complex correlates well with its high reactivity towards O2. Kinetic studies of the reaction of the BLPA complex with 1 atm O2 in CH3OH and CH2Cl2 under pseudo-first order conditions show that the BLPA complex reacts with O2 much slower than the TPA complex, where TPA is tris(2-pyridylmethyl)amine. It is presumably due to the steric effect of the methyl substituent on the pyridine ring. Nevertheless, both the high specificity and the fast kinetics can be rationalized on the basis of its low energy catecholate to FeⅢ charge transfer bands and large isotropic NMR shifts for the BLPA protons. These results provide insight into the nature of the oxygenation mechanism of the catechol dioxygenases.

Multi-slit prompt-gamma camera for locating of distal dose falloff in proton therapy

  • Park, Jong Hoon;Kim, Sung Hun;Ku, Youngmo;Kim, Chan Hyeong;Lee, Han Rim;Jeong, Jong Hwi;Lee, Se Byeong;Shin, Dong Ho
    • Nuclear Engineering and Technology
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    • v.51 no.5
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    • pp.1406-1416
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    • 2019
  • In this research, a multi-slit prompt-gamma camera was developed to locate the distal dose falloff of the proton beam spots in spot scanning proton therapy. To see the performance of the developed camera, therapeutic proton beams were delivered to a solid plate phantom and then the prompt gammas from the phantom were measured using the camera. Our results show that the camera locates the 90% distal dose falloff (= d90%), within about 2-3 mm of error for the spots which are composed $3.8{\times}10^8$ protons or more. The measured location of d90% is not very sensitive to the irradiation depth of the proton beam (i.e., the depth of proton beam from the phantom surface toward which the camera is located). Considering the number of protons per spot for the most distal spots in typical treatment cases (i.e., 2 Gy dose divided in 2 fields), the camera can locate d90% only for a fraction of the spots depending on the treatment cases. However, the information of those spots is still valuable in that, in the multi-slit prompt-gamma camera, the distal dose falloff of the spots is located solely based on prompt gamma measurement, i.e., not referring to Monte Carlo simulation.

Improvement of Statistics in Proton Beam Range Measurement by Merging Prompt Gamma Distributions: A Preliminary Study

  • Kim, Sung Hun;Park, Jong Hoon;Ku, Youngmo;Lee, Hyun Su;Kim, Young-su;Kim, Chan Hyeong;Jeong, Jong Hwi
    • Journal of Radiation Protection and Research
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    • v.44 no.1
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    • pp.1-7
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    • 2019
  • Background: To monitor proton beam in proton therapy, prompt gamma imaging systems are being developed by several research groups, and these systems are expected to improve the quality of the treatment and the patient safety. To apply the prompt gamma imaging systems into spot scanning proton therapy, the systems should be able to monitor the proton beam range of a spot with a small number of protons ( <$10^8$ protons), which is quite often not the case due to insufficient prompt gamma statistics. Materials and Methods: In the present study, we propose to improve prompt gamma statistics by merging the prompt gamma distributions of several individual spots into a new distribution. This proposal was tested by Geant4 Monte Carlo simulations for a multi-slit prompt gamma camera which has been developed to measure the proton beam range in the patient. Results and Discussion: The results show that the proposed method clearly enhance the statistical precision of beam range measurement. The accuracy of beam range verification is improved, within ~1.4 mm error, which is not achievable before applying the developed method. Conclusion: In this study, we tried to improve the statistics of the prompt gamma statistics by merging the prompt gamma distributions of multiple spots, and it was found that the merged distribution provided sufficient prompt gamma statistics and the proton beam range was determined accurately.

Investigation of photon, neutron and proton shielding features of H3BO3-ZnO-Na2O-BaO glass system

  • Mhareb, M.H.A.;Alajerami, Y.S.M.;Dwaikat, Nidal;Al-Buriahi, M.S.;Alqahtani, Muna;Alshahri, Fatimh;Saleh, Noha;Alonizan, N.;Saleh, M.A.;Sayyed, M.I.
    • Nuclear Engineering and Technology
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    • v.53 no.3
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    • pp.949-959
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    • 2021
  • The current study aims to explore the shielding properties of multi-component borate-based glass series. Seven glass-samples with composition of (80-y)H3BO3-10ZnO-10Na2O-yBaO where (y = 0, 5, 10, 15, 20, 25 and 30 mol.%) were synthesized by melt-quench method. Various shielding features for photons, neutrons, and protons were determined for all prepared samples. XCOM, Phy-X program, and SRIM code were performed to determine and explain several shielding properties such as equivalent atomic number, exposure build-up factor, specific gamma-ray constants, effective removal cross-section (ΣR), neutron scattering and absorption, Mass Stopping Power (MSP) and projected range. The energy ranges for photons and protons were 0.015-15 MeV and 0.01-10 MeV, respectively. The mass attenuation coefficient (μ/ρ) was also determined experimentally by utilizing two radioactive sources (166Ho and 137Cs). Consistent results were obtained between experimental and XCOM values in determining μ/ρ of the new glasses. The addition of BaO to the glass matrix led to enhance the μ/ρ and specific gamma-ray constants of glasses. Whereas the remarkable reductions in ΣR, MSP, and projected range values were reported with increasing BaO concentrations. The acquired results nominate the use of these glasses in different radiation shielding purposes.

Proton Conduction in Nonstoichiometric Σ3 BaZrO3 (210)[001] Tilt Grain Boundary Using Density Functional Theory

  • Kim, Ji-Su;Kim, Yeong-Cheol
    • Journal of the Korean Ceramic Society
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    • v.53 no.3
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    • pp.301-305
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    • 2016
  • We investigate proton conduction in a nonstoichiometric ${\Sigma}3$ $BaZrO_3$ (210)[001] tilt grain boundary using density functional theory (DFT). We employ the space charge layer (SCL) and structural disorder (SD) models with the introduction of protons and oxygen vacancies into the system. The segregation energies of proton and oxygen vacancy are determined as -0.70 and -0.54 eV, respectively. Based on this data, we obtain a Schottky barrier height of 0.52 V and defect concentrations at 600K, in agreement with the reported experimental values. We calculate the energy barrier for proton migration across the grain boundary core as 0.61 eV, from which we derive proton mobility. We also obtain the proton conductivity from the knowledge of proton concentration and mobility. We find that the calculated conductivity of the nonstoichiometric grain boundary is similar to those of the stoichiometric ones in the literature.