• Nuclear Engineering and Technology
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• 제55권3호
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• pp.1036-1044
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• 2023

The combination of MCNP6 and the FISPACT codes was used to predict inventories of radioisotopes produced by neutron exposure of a sample in a research reactor. The detailed MCNP6 model of the Budapest Research Reactor and the specific irradiation geometry of the NAA channel was established, while realistic material cards were specified based on concentrations measured by PGAA and NAA, considering the precursor elements of all significant radioisotopes. The energy- and spatial distributions of the neutron field calculated by MCNP6 were transferred to FISPACT, and the resulting activities were validated against those measured using neutron-irradiated small and bulky targets. This approach is general enough to handle different target materials, shapes, and irradiation conditions. A general agreement within 10% has been achieved. Moreover, the method can also be made applicable to predict the activation properties of the near-vessel concrete of existing nuclear installations or assist in the optimal construction of new nuclear power plant units.

• Bulletin of the Korean Chemical Society
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• 제24권1호
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• pp.65-69
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• 2003

The kinetic and chemical mechanisms of AChE-catalyzed hydrolysis of short-chain thiocholine esters are relatively well documented. Up to propanoylthiocholine (PrTCh) the chemical mechanism is general acid-base catalysis by the active site catalytic triad. The chemical mechanism for the enzyme-catalyzed butyrylthiocholine(BuTCh) hydrolysis shifts to a parallel mechanism in which general base catalysis by E199 of direct water attack to the carbonyl carbon of the substrate. [Selwood, T., et al. J. Am. Chem. Soc. 1993, 115, 10477- 10482] The long chain thiocholine esters such as hexanoylthiocholine (HexTCh), heptanoylthiocholine (HepTCh), and octanoylthiocholine (OcTCh) are hydrolyzed by electric eel acetylcholinesterase (AChE). The kinetic parameters are determined to show that these compounds have a lower Michaelis constant than BuTCh and the pH-rate profile showed that the mechanism is similar to that of BuTCh hydrolysis. The solvent isotope effect and proton inventory of AChE-catalyzed hydrolysis of HexTCh showed that one proton transfer is involved in the transition state of the acylation stage. The relationship between the dipole moment and the Michaelis constant of the long chain thiocholine esters showed that the dipole moment is the most important factor for the binding of a substrate to the enzyme active site.