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.
The goal of the project is to investigate and discover tree species abundant in the Mekong Delta Vietnam, and find out species to develop land in southern coastal of Vietnam and based on research to applicated for food and medicinal on part of forest trees. Mekong Delta a amount of alluvium sediments flows from upstream China to Vietnam by the river branches, then get out the Sea. This sediments accumulated gradually elevation the new land. The coastal where mangrove forests with a rich ecosystem of plants and animals. Over time, these forests change, with different plant species succeeding each other. This aims of this study to finding plant species, classification of forest types based on ecological regions, assessement the biodiversity of tree species, and compare the abundance communities, measuring the growth of the forest in these regions. In 2023, a comprehensive survey was conducted by using a systematic approach. Research content and methods. The content is to investigate the situation of woody plant species in mangrove forests in sub-regions with different ecological characteristics. The number of survey plots have done depend on the density of the forest, Base on the width of the forest range, the number of survey plots in sub region set up from 10 to 15 plots. In total, 68 plots have done established in the erea, the area of plot is 100 square meters (10 m x 10 m). Using the statistical software in forestry to survey and analysis data. The results of research is to find the number of species in each ecological region and growth situation, in which the important thing is to evaluate the adaptation of species in each sub-region to propose wich species to choose as the main species in aforestation the fastest land on sea. The result provided a complete picture of the tree species composition, distribution, and community structure characteristics in each ecological sub-region. The result of survey showed in the sub-region one is seven species. In the sub region two is eleven species. In the sub region three is eight species. In the region four is ten species. The total species of the mangrove forest in the Western Mekong Delta have 16 species from 11 plant families have been identified. Among these species have 6 dominant species include Avicennia oficinali),Avicennia alba, Rhizophora apiculata, Excoecaria agallocha, Someratia caseolaris, and Bruguiera yipamoriza. From the investigation have been found two species grow on the best on new land were Avicennia officinalis and Avicennia alba this findings show they can develope on the original new land for the shore of the Western Mekong Delta. The survey results also calculated the average of the height, diameter (D1.3), canopy, health of the nature mangrove tree for each sub region and total region. From these results showed the division of foresty structure, the structure of height, diameter (D1.3), canopy, heathy of the sub region and total region in the Western Mekong Delta. Suggestions after discovering during the investigation that there are Avicennia officinalis and Avicennia alba are two species that can implement development plants to expand natural land by planting on suitable sea surface areas for Mekong Delta of Vietnam. In addition, referring to research documents on these adapted species can exploit food and medicinal herbs in discovering the level biodiversity distribution abundance of these species. This finding can help Vietnam by mearsures using the species Aviecennia be discovered will promote sea reclamation faster instead of letting the natural law of sea reclamation follow.
This paper presents a numerical method for solving a nonlinear age-structured population model based on a set of piecewise constant orthogonal functions. The block-pulse functions (BPFs) method is applied to determine the numerical solution of a non-classic type of partial differential equation with an integral boundary condition. BPFs duo to the simple structure can efficiently approximate the solution of systems with local or non-local boundary conditions. Numerical results reveal the accuracy of the proposed method even for the long term simulations.
Static atomic charges affect key ground-state parameters of boron quasi-planar clusters Bn, n ≤ 20, which serve as building blocks of borophenes and other two-dimensional boron-based materials promising for various advanced applications. Assuming that the outer valence shells partial electron density of the constituent B atoms are shared between them proportionally to their coordination numbers, the static atomic charges in small boron planar clusters in the electrically neutral and positively and negatively singly charged states are estimated to be in the ranges of –0.750e (B70) to +0.535e (B200), –0.500e (B7+, B8+, and B9+) to +0.556e (B17+), and –1.000e (B7–) to +0.512e (B20–), respectively.
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