Atomic interaction between mediator protein of human prostate cancer (PHPC) and Fe/C720 Buckyballs-Statin is important for medical science. For the first time, we use molecular dynamics (MD) approach based on Newton’s formalism to describe the destruction of PHPC via Fe/C720 Buckyballs-Statin with atomic accuracy. In this work, the atomic interaction of PHPC and Fe/C720 Buckyballs-Statin introduced via equilibrium molecular dynamics approach. In this method, each PHPC and Fe/C720 Buckyballs-Statin is defined by C, H, Cl, N, O, P, S, and Fe elements and contrived by universal force field (UFF) and DREIDING force-field to introduce their time evolution. The results of our studies regarding the dynamical behavior of these atom-base compounds have been reported by calculating the Potential energy, center of mass (COM) position, diffusion ratio and volume of defined systems. The estimated values for these quantities show the attraction force between Buckyball-based structure and protein sample, which COM distance of these samples changes from 10.27 Å to 2.96 Å after 10 ns. Physically, these interactions causing the destruction of the PHPC. Numerically, the volume of this biostructure enlarged from 665,276 Å3 to 737,143 Å3 by MD time passing. This finding reported for the first time which can be considered by the pharmaceutical industry. Simulations indicated the volume of the PHPC increases by Fe/C720 Buckyballs-Statin diffusion into this compound. By enlarging this quantity (diffusion coefficient), the atomic stability of PHPC decreases and protein destruction procedure fulfilled.
Air pollution in Jakarta has become a severe concern in the last four months. IQAir, in August 2023, revealed that the level of air pollution had reached 161 points on the Air Pollution Standard Index (APSI). The negative impact on society has placed air pollution as a concern for environmental safety and survival in danger. This condition will encourage the development of a national policy agenda to integrate environmental welfare through various energy efficiency channels. This research analyzes the relationship between air pollutant elements that can reduce air quality. The analysis includes pollutant intensity measured by APSI per unit of pollutant as a measure of efficiency. The aim is to observe energy use, which causes an increase in pollutant levels. This research utilizes dynamic system modeling to produce relationships between parameters to produce factors that cause pollution. The parameters used are motorized vehicles, waste burning in landfills, industry, and power plants. The results of historical behavioral tests and statistical suitability tests show that the behavior is suitable for the short and long term. The simulation results show that the pollution level will worsen by the end of 2027, a hazardous condition for society. The optimistic scenario simulation model proposes immediate counter-measures to reduce pollution to 45.01, the ideal condition. To accelerate improvements in air quality, the Government can plan policies to reduce the use of coal by power plants and industry, as well as the use of electric motorized vehicles, resulting in an ideal reduction in pollution by 2024. In conclusion, pollution can be reduced effectively if the Government firmly implements policies to maintain that air quality remains stable below 50 points.
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