Coarse-Grained Simulation of Amyloid Nucleation under Cooperative Effects of Peptides / 医用生物力学

Objective To explore the cooperative effect from β-propensity of amyloidogenic peptides on amyloid nucleation and its related products. Methods Based on a coarse-grained model for amyloidogenic peptides containing two states ( a soluble state and a β-sheet-forming state), with the consideration of two kinds of cooperative effects on β-propensity of peptides ( inhibiting and promoting the conformational conversion of peptides), the regulation of cooperative effects from amyloidogenic peptides on amyloid nucleation was analyzed through Monte Carlo simulations. Results In the case of the cooperative effect inhibiting the conformational conversion of peptides, amyloid nucleation occurred only within a certain interval of the peptide concentration, as well as inside the oligomers with certain sizes. Besides, the coexistence of on-pathway and off-pathway oligomers was observed. In the case of the cooperative effect promoting the conformational conversion of peptides, the β-sheet protofibril could be observed at physiological concentration as low as 4 μmol / L. Conclusions In this study, a more realistic coarse-grained model for amyloidogenic peptides was developed by introducing the cooperative effects of local concentration on β-propensity of amyloidogenic peptides, with observation of some intriguing phenomena not reported in previous simulations. The research findings not only improve current understandings about the mechanism of amyloid formation, but also provide theoretic references for the therapeutic strategies for curing neurodegenerative diseases

Impact evaluation of the geometry on measurements of solid radioactive waste exposure rates in nuclear medicine

INTRODUCTION: The objective of this paper is to verify the influence of the source geometry on Geiger Müller (GM) exposure rate data. This paper presents a validation of an application based on Monte Carlo (MC) data simulated using Geant4, based on a comparison of the exposure rates calculated via MC and Deterministic Calculations (DC) to experimental (measured) exposure rates. METHODS: Experimental data that were collected through measurements of standard sources were used for MC and DC validation. In addition, the best method of analyzing the impact of the real source geometry on calculations of a descarpack box of radioactive waste was verified. Furthermore, were estimated the exposure rates from a homogeneous solid waste box (used at clinical sites) and from a point source. These results were compared to confirm possible discrepancies related to source geometry in exposure rates collected using a GM detector. RESULTS: The investigated estimation methods were statistically compared; the MC presented higher agreement with the experimental data than did the deterministic calculations. The impact of considering a point source instead of the real geometry (descarpack box) was an underestimation of between 20% and 70%, depending on the source - detector distance and the isotope evaluated. CONCLUSION: The DC always presented a higher difference with respect to the experimental data than did the MC calculation. The use of realistic geometry proved to exert a significant impact on the exposure rate data for solid radioactive waste compared with the exposure rate induced by a point source; the exposure rate estimation obtained using the real geometry was always at least 16% higher than the estimation obtained for a point source, and some differences greater than 50% were found.

Absorbed dose response of Al2O3 dosimeter irradiated by 60Co γ spectrum source capture and collimators / 中华放射医学与防护杂志

Objective To investigated the absorbed dose response of Al2O3 dosimeter in water phantom irradiated by 60Co γ spectrum source. Methods The EGSnre simulation program code DOSRZnrc was used to calculate the absorbed dose of the Al2O3 dosimeter and that of the equivalent volume of water in the corresponding position, as well as the absorbed dose conversion factor, irradiated by 60Co photon beams in a water phantom. Simulations were done for a eylindrieal geometry dosimeter (diameter 0.4 cm and height 0.1 cm) and the dosimeter was placed at the centre of the water phantom at different depths. Results The average absorbed dose conversion factor is 1.143 ± 0.006 and changes little with the depth of the dosimeter in the water phantom, and the deviation is less than 1.0 %. Conclusion The absorbed dose response of Al2O3 dosimeter irradiated by 60Co γ spectrum source is steady and is independent on the depth of the dosimeter in water phantom in this research.