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Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes

Pan et al. | Mar 06, 2024

Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes
Image credit: The authors

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

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Comparative Gamma Radiation Analysis by Geographic Region

Zadan et al. | Jul 20, 2015

Comparative Gamma Radiation Analysis by Geographic Region

Gamma radiation can be produced by both natural and man-made sources and abnormally high exposure levels could lead to an increase in cell damage. In this study, gamma radiation was measured at different locations and any correlation with various geographic factors, such as distance from a city center, elevation and proximity to the nearest nuclear reactor, was determined.

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The Protective Effects of Panax notoginseng Saponin on the Blood-Brain Barrier via the Nrf2/ARE Pathway in bEnd3 Cells

Yang et al. | Apr 06, 2016

The Protective Effects of <i>Panax notoginseng</i> Saponin on the Blood-Brain Barrier via the Nrf2/ARE Pathway in bEnd3 Cells

Disruption of the blood-brain barrier (BBB) is related to many neurological disorders, and can be caused by oxidative stress to cerebral microvascular endothelial cells (CMECs) composing the BBB. The authors of the paper investigated the protective effects of the total saponins in the leaves of Panax notoginseng (LPNS) on oxidative-stress-induced damage in a mouse cerebral microvascular endothelial cell line.

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What is the optimal fuel for space flight? Efficiency, cost, and environmental impact

Kapitonova et al. | Dec 28, 2023

What is the optimal fuel for space flight? Efficiency, cost, and environmental impact
Image credit: NASA

Here, the authors sought to investigate the efficiency, cost, and environmental impact of several possible propellants that are or could be used for space flight. By deriving three novel equations, they identified harm, energy, and cost scores for each fuel, suggesting that considering each factor will be essential to the ongoing growth of the space industry.

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