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Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Sikdar et al. | Jan 10, 2023

Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

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Using DNA Barcodes to Evaluate Ecosystem Health in the SWRCMS Reserve

Horton et al. | Sep 27, 2018

Using DNA Barcodes to Evaluate Ecosystem Health in the SWRCMS Reserve

Although the United States maintains millions of square kilometers of nature reserves to protect the biodiversity of the specimens living there, little is known about how confining these species within designated protected lands influences the genetic variation required for a healthy population. In this study, the authors sequenced genetic barcodes of insects from a recently established nature reserve, the Southwestern Riverside County Multi-Species Reserve (SWRCMSR), and a non-protected area, the Mt. San Jacinto College (MSJC) Menifee campus, to compare the genetic variation between the two populations. Their results demonstrated that the midge fly population from the SWRCMSR had fewer unique DNA barcode sequence changes than the MSJC population, indicating that the comparatively younger nature reserve's population had likely not yet established its own unique genetic drift changes.

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Reduce the harm of acid rain to plants by producing nitrogen fertilizer through neutralization

Xu et al. | Apr 25, 2023

Reduce the harm of acid rain to plants by producing nitrogen fertilizer through neutralization
Image credit: Ave Calvar Martinez, pexels.com

The phenomenon of dying trees and plants in areas affected by acid rain has become increasingly problematic in recent times. Is there any method to efficiently utilize the rainwater and reduce the harmfulness of acid rain or make it beneficial to plants? This study aimed to investigate the potential of neutralizing acid rainwater infiltrating the soil to increase soil pH, produce beneficial salts for plants, and support better plant growth. To test this hypothesis, precipitation samples were collected from six states in the U.S. in 2022, and the pH of the acid rain was measured to obtain a representative pH value for the country. Experiments were then conducted to simulate the neutralization of acid rain and the subsequent change in soil pH levels. To evaluate the effectiveness and feasibility of this method, cat grass was planted in pots of soil soaked with solutions mimicking acid rain, with control and experimental groups receiving neutralizing agents (ammonium hydroxide) or not. Plant growth was measured by analyzing the height of the plants. Results demonstrated that neutralizing agents were effective in improving soil pH levels and that the resulting salts produced were beneficial to the growth of the grass. The findings suggest that this method could be applied on a larger agricultural scale to reduce the harmful effects of acid rain and increase agricultural efficiency.

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A new therapy against MDR bacteria by in silico virtual screening of Pseudomonas aeruginosa LpxC inhibitors

Liu et al. | Apr 27, 2022

A new therapy against MDR bacteria by <em>in silico</em> virtual screening of <em>Pseudomonas aeruginosa</em> LpxC inhibitors

Here, seeking to address the growing threat of multidrug-resistant bacteria (MDR). the authors used in silico virtual screening to target MDR Pseudomonas aeruginosa. They considered a key protein in its biosynthesis and virtually screened 20,000 candidates and 30 derivatives of brequinar. In the end, they identified a possible candidate with the highest degree of potential to inhibit the pathogen's lipid A synthesis.

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Exponential regression analysis of the Canadian Zero Emission Vehicle market’s effects on climate emissions in 2030

Ajay et al. | Feb 25, 2023

Exponential regression analysis of the Canadian Zero Emission Vehicle market’s effects on climate emissions in 2030
Image credit: Andrew Roberts

Here, the authors explored how the sale and use of electric vehicles could reduce emissions from the transport industry in Canada. By fitting the sale of total of electric vehicles with an exponential model, the authors predicted the number of electric vehicle sales through 2030 and related that to the average emission for such vehicles. Ultimately, they found that the sale and use of electric vehicles alone would likely not meet the 45% reduction in emissions from the transport industry suggested by the Canadian government

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