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Pressure and temperature influence the efficacy of metal-organic frameworks for carbon capture and conversion

Lin et al. | May 07, 2023

Pressure and temperature influence the efficacy of metal-organic frameworks for carbon capture and conversion

Metal-organic frameworks (MOFs) are promising new nanomaterials for use in the fight against climate change that can efficiently capture and convert CO2 to other useful carbon products. This research used computational models to determine the reaction conditions under which MOFs can more efficiently capture and convert CO2. In a cost-efficient manner, this analysis tested the hypothesis that pressure and temperature affect the efficacy of carbon capture and conversion, and contribute to understanding the optimal conditions for MOF performance to improve the use of MOFs for controlling greenhouse CO2 emissions.

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Can the nucleotide content of a DNA sequence predict the sequence accessibility?

Balachandran et al. | Mar 10, 2023

Can the nucleotide content of a DNA sequence predict the sequence accessibility?
Image credit: Warren Umoh

Sequence accessibility is an important factor affecting gene expression. Sequence accessibility or openness impacts the likelihood that a gene is transcribed and translated into a protein and performs functions and manifests traits. There are many potential factors that affect the accessibility of a gene. In this study, our hypothesis was that the content of nucleotides in a genetic sequence predicts its accessibility. Using a machine learning linear regression model, we studied the relationship between nucleotide content and accessibility.

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Characterizing the association between hippocampal reactive astrogliosis, anhedonia-like behaviors, and neurogenesis in a monkey model of stress and antidepressant treatment

Kim et al. | Aug 25, 2022

Characterizing the association between hippocampal reactive astrogliosis, anhedonia-like behaviors, and neurogenesis in a monkey model of stress and antidepressant treatment

This study examined the effects of stress and selective serotonin reuptake inhibitors (SSRIs) on a measure of astrocyte reactivity in nonhuman primate (NHP) models of stress. Results showed that chronic separation stress in NHPs leads to increased signs of astrogliosis in the NHP hippocampus. The findings were consistent with the hypotheses that hippocampal astrogliosis is an important mechanism in stress-induced cognitive and behavioral deficits.

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The Effects of Micro-Algae Characteristics on the Bioremediation Rate of Deepwater Horizon Crude Oil

Cao et al. | Jun 17, 2013

The Effects of Micro-Algae Characteristics on the Bioremediation Rate of Deepwater Horizon Crude Oil

Environmental disasters such as the Deepwater Horizon oil spill can be devastating to ecosystems for long periods of time. Safer, cheaper, and more effective methods of oil clean-up are needed to clean up oil spills in the future. Here, the authors investigate the ability of natural ocean algae to process crude oil into less toxic chemicals. They identify Coccochloris elabens as a particularly promising algae for future bioremediation efforts.

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Groundwater prediction using artificial intelligence: Case study for Texas aquifers

Sharma et al. | Apr 19, 2024

Groundwater prediction using artificial intelligence: Case study for Texas aquifers

Here, in an effort to develop a model to predict future groundwater levels, the authors tested a tree-based automated artificial intelligence (AI) model against other methods. Through their analysis they found that groundwater levels in Texas aquifers are down significantly, and found that tree-based AI models most accurately predicted future levels.

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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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