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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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The impacts of different Al(NO3)3 concentrations on the mitotic index of Allium sativum

Jimenez Pol et al. | Jul 10, 2023

The impacts of different Al(NO<sub>3</sub>)<sub>3</sub> concentrations on the mitotic index of <i>Allium sativum</i>
Image credit: Kylie Paz

Recognizing the increasing threat of acid deposition inn soil through the reaction of NOx and SO2 pollutants with water in Spain, the authors investigates the effects of Al(NO3)3 concentrations on the health of Allium sativum. By tracking its mitotic index, they found a negative exponential correlation between Al(NO3)3 concentrations and the mitotic index of A. sativum.

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The analysis of the viral transmission and structural interactions between the HIV-1 envelope glycoprotein and the lymphocyte receptor integrin α4β7

Ganesh et al. | Apr 28, 2021

The analysis of the viral transmission and structural interactions between the HIV-1 envelope glycoprotein and the lymphocyte receptor integrin α4β7

The Human Immunodeficiency Virus (HIV) infects approximately 40 million people globally, and one million people die every year from Acquired Immune Deficiency Syndrome (AIDS)-related illnesses. This study examined the interactions between the HIV-1 envelope glycoprotein gp120 and the human lymphocyte receptor integrin α4β7, the putative first long-range receptor for the envelope glycoprotein of the virus in mucosal tissues. Presented data support the claim that the V1 loop is involved in the binding between α4β7 and the HIV-1 envelope glycoprotein through molecular dockings.

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Predicting baseball pitcher efficacy using physical pitch characteristics

Oberoi et al. | Jan 11, 2024

Predicting baseball pitcher efficacy using physical pitch characteristics
Image credit: Antoine Schibler

Here, the authors sought to develop a new metric to evaluate the efficacy of baseball pitchers using machine learning models. They found that the frequency of balls, was the most predictive feature for their walks/hits allowed per inning (WHIP) metric. While their machine learning models did not identify a defining trait, such as high velocity, spin rate, or types of pitches, they found that consistently pitching within the strike zone resulted in significantly lower WHIPs.

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Time-Efficient and Low-Cost Neural Network to detect plant disease on leaves and reduce food loss and waste

Singh et al. | Apr 24, 2023

Time-Efficient and Low-Cost Neural Network to detect plant disease on leaves and reduce food loss and waste

About 25% of the food grown never reaches consumers due to spoilage, and 11.5 billion pounds of produce from gardens are wasted every year. Current solutions involve farmers manually looking for and treating diseased crops. These methods of tending crops are neither time-efficient nor feasible. I used a convolutional neural network to identify signs of plant disease on leaves for garden owners and farmers.

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Model selection and optimization for poverty prediction on household data from Cambodia

Wong et al. | Sep 29, 2023

Model selection and optimization for poverty prediction on household data from Cambodia
Image credit: Paul Szewczyk

Here the authors sought to use three machine learning models to predict poverty levels in Cambodia based on available household data. They found teat multilayer perceptron outperformed the other models, with an accuracy of 87 %. They suggest that data-driven approaches such as these could be used more effectively target and alleviate poverty.

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