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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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Modeling and optimization of epidemiological control policies through reinforcement learning

Rao et al. | May 23, 2023

Modeling and optimization of epidemiological control policies through reinforcement learning

Pandemics involve the high transmission of a disease that impacts global and local health and economic patterns. Epidemiological models help propose pandemic control strategies based on non-pharmaceutical interventions such as social distancing, curfews, and lockdowns, reducing the economic impact of these restrictions. In this research, we utilized an epidemiological Susceptible, Exposed, Infected, Recovered, Deceased (SEIRD) model – a compartmental model for virtually simulating a pandemic day by day.

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Effect of Increasing Concentrations of Cannabidiol (CBD) on Hatching, Survival and Development of Artemia salina

Rabbani et al. | Jul 27, 2020

Effect of Increasing Concentrations of Cannabidiol (CBD) on Hatching, Survival and Development of <em>Artemia salina</em>

Cannabidiol, or CBD, is a widely available over the counter treatment used for various medical conditions. However, CBD exerts its effects on the endocannabinoid system, which is involved in neural maturation, and could potentially have adverse effects on brain development. Here, the impact of CBD on the development of brine shrimp (Artemia salina) was assessed. Differences in dose responses were observed.

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Integrated Ocean Cleanup System for Sustainable and Healthy Aquatic Ecosystems

Anand et al. | Nov 14, 2020

Integrated Ocean Cleanup System for Sustainable and Healthy Aquatic Ecosystems

Oil spills are one of the most devastating events for marine life. Finding ways to clean up oil spills without the need for harsh chemicals could help decrease the negative impact of such spills. Here the authors demonstrate that using a combination of several biodegradable substances can effectively adsorb oil in seawater in a laboratory setting. They suggest further exploring the potential of such a combination as a possible alternative to commonly-used non-biodegradable substances in oil spill management.

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Applying centrality analysis on a protein interaction network to predict colorectal cancer driver genes

Saha et al. | Nov 18, 2023

Applying centrality analysis on a protein interaction network to predict colorectal cancer driver genes

In this article the authors created an interaction map of proteins involved in colorectal cancer to look for driver vs. non-driver genes. That is they wanted to see if they could determine what genes are more likely to drive the development and progression in colorectal cancer and which are present in altered states but not necessarily driving disease progression.

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