• Bulletin of the Korean Chemical Society
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• 제20권9호
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• pp.1067-1072
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• 1999

Structures of unprotonated [(NH3)n+(n = 1-6)] and protonated [NH4+(NH3)n-1(n = 1-6)] ammonia cluster cations have been optimized with ab initio Hartree-Fock (HF) and second-order MФller-Plesset (MP2)/6-31+G ** levels and the harmonic vibrational frequencies have also been evaluated. In unprotonated cluster cations, NH3+ forms as a central core of the first ammonia solvation shell. In protonated cluster cations, NH4+ forms as a central core. In unprotonated dimer and trimer cations, there are two types of isomers (hydrogen-bonded and head-to-head interactions). In both cluster cations, the hydrogen-bonded isomers are more stable. In the hydrogen-bonded dimer cation, the proton transfer reaction takes place from (NH3-HN+H2) to (NH4+-NH2). But in the other unprotonated cluster cations, the proton transfer does not take place. In unprotonated pentamer and hexamer, a NH3+ core has both interactions in a complex. On the other hand, in unprotonated tetramer a core has only the hydrogen-bonded type combined with neutral ammonia molecules. With increasing cluster cation size, the bond lengths [R(NN)] between two nitrogen atoms and the distances [R(N ...H)] of the hydrogen-bond increase reg-ularly. In the calculated infra-red absorption bands for ammonia cluster cations, the characteristic peaks of the bridged NH vibration of the hydrogen-bonded clusters appear near 2500 cm-1 . With increasing size, the peaks shift from 2306 cm-1 to 2780 cm-1 .

• Bulletin of the Korean Chemical Society
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• 제19권9호
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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.

• 대한방사선치료학회지
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• 제31권2호
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• pp.75-81
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• 2019

목 적: 전립선암 환자의 방사선치료 시 사용되는 토모치료(Tomotherapy)와 양성자치료(Protontherapy)의 계획을 각각 수립하여 토모치료의 IMRT방식과 양성자치료의 PBS방식을 이용한 빔 전달방식에 따른 선량분포의 특성을 비교하고 분석하고자 한다. 실험재료 및 방법: 수술을 하지 않고 근치목적으로 방사선치료만으로 하는 3명의 전립선암 환자를 대상으로 Tomotherapy^®사의 Hi.art planning station 5.1.1.6과 VARIAN사의 Eclipse 13.7을 사용하여 각각 Tomo IMRT 치료계획과 Proton PBS 치료계획을 수립하였다. 수립된 2가지 치료계획의 평가를 위해 선량용적히스토그램(Dose Volume Histogram, DVH)에서 PGTV의 평균선량(Dmean)과 최대선량(Dmax)을 산출하여 coverage를 확인하고 CI와 HI를 산출하였다. OAR평가에서는 직장체적의 25%가 받는 D 25%와 방광선량의 평균선량을 정상장기 보호효과를 비교하였다. 결 과: 환자 3명의 Tomo IMRT, Proton PBS의 DVH에서 평균 최대선량은 71.4Gy, 75.3Gy이고 평균선량은 70.4Gy, 72.8Gy이었다. 또한 CI는 각각 1.16, 1.31이었으며 HI는 0.04, 0.12으로 Tomo IMRT가 Proton PBS에 비해 선량 적합성 부분에서 우수하게 나타났다. OAR 평가에선 직장체적에서 받는 D 25% 각각 27.1Gy, 13.9Gy으로 Tomo IMRT가 평균적으로 방광의 평균선량과 더불어 Proton PBS보다 높은 선량분포를 보여 Proton PBS가 부작용을 줄일 수 있는 것으로 사료된다. 결 론: 전립선암 환자 치료 시 PGTV의 평균선량은 Proton PBS가 Tomo IMRT에 비해서 약 3.4% 높게 나타났다. 이는 Tomo IMRT가 선량적합성이 더 좋게 나타났지만 유의미한 결과 값으로 보기엔 미미한 차이로 사료된다. 그러나 두 방식의 결과값이 직장체적에서 받는 D 25%에서 51.2%, 방광의 평균선량에선 55.7% 더 적은 선량이 조사되어 Proton PBS에서 환자의 부작용을 줄일 수 있었다.

• Korean Membrane Journal
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• 제10권1호
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• pp.20-25
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• 2008

Proton conducting composite membranes were prepared by solution blending of poly(vinylidene fluoride-co-chlorotrifluoroethylene)-graft-poly(sulfopropyl methacrylate) (P(VDF-CTFE)-g-PSPMA) graft copolymer and heteropolyacid (HPA). The P(VDF-CTFE)-g-PSPMA graft copolymer was synthesized by atom transfer radical polymerization (ATRP) using direct initiation of the secondary chlorines of P(VDF-CTFE). FT-IR spectroscopy revealed that HPA nanoparticles were incorporated into the graft copolymer via hydrogen bonding interactions. The water uptake of membranes continuously decreased with increasing HP A concentration up to 45wt%, after which it slightly increased. It is presumably due to the decrease in number of water absorption sites due to hydrogen bonding interaction between the HP A particles and the polymer matrix. The proton conductivity of membranes increased with increasing HPA concentration up to 45wt%, resulting from both the intrinsic conductivity of HP A particles and the enhanced acidity of the sulfonic acid of the graft copolymer.

• Nuclear Engineering and Technology
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• 제53권9호
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• pp.2909-2917
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• 2021

Following the launch of Rare Isotope Science Project in December 2011, a heavy ion accelerator complex in South Korea, named RAON, has since been designed. It includes a muon facility for muon spin rotation, relaxation, and resonance. The facility will be provided with 600 MeV and 100 kW (one-fourth of the maximum power) proton beam. In this study, the graphite target in RAON was designed to have a rotating disk shape and was cooled by radiative heat transfer. This cool-down process has the following advantages: a low-temperature gradient in the target and the absence of a liquid coolant cooling system. Monte Carlo simulations and ANSYS calculations were performed to optimize the target system in a thermally stable condition when the 100 kW proton beam collided with the target. A comparison between the simulation and experimental data was also included in the design process to obtain reliable results. The final design of the target system will be completed within 2020, and its manufacturing is in progress. The manufactured target system will be installed at the RAON in the Sindong area near Daejeon-city in 2021 to carry out verification experiments.

• 디지털융복합연구
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• 제19권5호
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• pp.279-284
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• 2021

본 연구에서는 3차원 전산유체역학 (3-D computational fluid dynamics, CFD)을 이용하여 고체고분자전해질형연료전지 (proton exchange membrane fuel cell, PEMFC)의 기체유로에 대한 성능에 관한 전산모사를 실시하였다. 또한 이 전산모사를 통하여 유체의 농도와 압력분포, 그리고 전류밀도의 분포 등 각종 분포에 관하여 연구를 진행하였다. 본 논문에서는 단일유로와 5개의 유로를 비교분석 하였다. 그 결과 5개의 유로가 단일유로에 비하여 각종 분포들이 균일하였고, 성능 또한 월등하였다. 특히 단일유로에서는 물질전달에의한 성능저하 영역에서 매우 낮은 성능을 확인할 수 있었고 반면 5개의 유로에서는 이 부분을 극복하여 보다 높은 성능을 확인할 수 있었다.

• Investigative Magnetic Resonance Imaging
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• 제21권2호
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• pp.65-70
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• 2017

Purpose: To optimize the saturation time and maximizing the pH-weighted difference between the normal and ischemic brain regions, on 3-tesla amide proton transfer (APT) imaging using an in vivo rat model. Materials and Methods: Three male Wistar rats underwent middle cerebral artery occlusion, and were examined in a 3-tesla magnetic resonance imaging (MRI) scanner. APT imaging acquisition was performed with 3-dimensional turbo spin-echo imaging, using a 32-channel head coil and 2-channel parallel radiofrequency transmission. An off-resonance radiofrequency pulse was applied with a Sinc-Gauss pulse at a $B_{1,rms}$ amplitude of $1.2{\mu}T$ using a 2-channel parallel transmission. Saturation times of 3, 4, or 5 s were tested. The APT effect was quantified using the magnetization-transfer-ratio asymmetry at 3.5 ppm with respect to the water resonance (APT-weighted signal), and compared with the normal and ischemic regions. The result was then applied to an acute stroke patient to evaluate feasibility. Results: Visual detection of ischemic regions was achieved with the 3-, 4-, and 5-s protocols. Among the different saturation times at $1.2{\mu}T$ power, 4 s showed the maximum difference between the ischemic and normal regions (-0.95%, P = 0.029). The APTw signal difference for 3 and 5 s was -0.9% and -0.7%, respectively. The 4-s saturation time protocol also successfully depicted the pH-weighted differences in an acute stroke patient. Conclusion: For 3-tesla turbo spin-echo APT imaging, the maximal pH-weighted difference achieved when using the $1.2{\mu}T$ power, was with the 4 s saturation time. This protocol will be helpful to depict pH-weighted difference in stroke patients in clinical settings.

• 한국잡초학회지
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• 제17권4호
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• pp.345-361
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• 1997

Photoassimilates translocate from regions of carbohydrate synthensis(source) to regions of carbohydrate utilization or storage(sink). In the source, assimilate loads into the phloem for long-distance transport. Current evidence suggests that there are twig loading mechanisms : one involves assimilate transfer via the apoplasm and then load into the phloem by carrier-mediated proton-sucrose cotransport, while the other involves movement through the continuous symplastic connections between the mesophyll cells and the phloem. Inspite of problems associated with the interpretation of experiments, the evidence for apoplastic loading remains convincing because the apoplastic loading systems explains well the observed accumulation capacity arid the selectivity of assimilate uptake by tile phloem.

• Bulletin of the Korean Chemical Society
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• 제18권2호
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• pp.156-161
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• 1997

Aqueous 6-hydroxyquinoline in the first excited singlet state undergoes protonation to the imine group first in 15 ps, then in the time scale of 40 ps deprotonation from the enol group and finally, however, quickly as in 11 ps electron rearrangement to change into a resonance hybrid structure of quinoid-prevailing forms. Despite the fact that the decay time constant is smaller than the formation time constant, fluorescence from excited protropic zwitterion is observed to assign its maximum at 510 nm. The electron rearrangement is basically an intramolecular charge transfer from the deprotonated oxygen atom to the positively charged iminium ring without any notable change in nuclear geometry, producing a zwitterionic quinoid structure with much a smaller electric dipole moment than the zwitterionic protropic species. This photoproduct formed by consecutive excited state proton and electron transfers shows a smaller dipole moment in S1 than in S0 and a hypsochromic shift although its S1 state has (π, π*) character.

• Bulletin of the Korean Chemical Society
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• 제9권3호
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• pp.171-175
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• 1988

The spectral properties of piroxicam in different solvents are similar to those of its skeletal precursor, HMBDC. The maximum absorption and emission wavelengths strongly depend on the hydrogen bonding ability of the solvent, and it is shown that intramolecular hydrogen bonding between the -OH and the ortho carbonyl group of the parent benzothiazine ring plays an important role in the solvent-dependence of their spectroscopic properties. The fluorescence spectra in aprotic nonpolar solvent exhibit abnormally large Stokes-shifted (${\sim}9,000cm^{-1}$) emission bands in contrast to the spectra in water. In ethanol, dual emission bands with two different fractional components of lifetimes have been observed. These results suggest that the abnormally red-shifted emission is attributed to the proton transferred form of an intramolecularly hydrogen-bonded closed conformer.