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Quantitative definition of chemical synthetic pathway complexity of organic compounds

Baranwal et al. | Jun 19, 2023

Quantitative definition of chemical synthetic pathway complexity of organic compounds

Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.

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A land use regression model to predict emissions from oil and gas production using machine learning

Cao et al. | Mar 24, 2023

A land use regression model to predict emissions from oil and gas production using machine learning

Emissions from oil and natural gas (O&G) wells such as nitrogen dioxide (NO2), volatile organic compounds (VOCs), and ozone (O3) can severely impact the health of communities located near wells. In this study, we used O&G activity and wind-carried emissions to quantify the extent to which O&G wells affect the air quality of nearby communities, revealing that NO2, NOx, and NO are correlated to O&G activity. We then developed a novel land use regression (LUR) model using machine learning based on O&G prevalence to predict emissions.

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Characterization of antibacterial properties of common spices

Gehad et al. | Oct 03, 2020

Characterization of antibacterial properties of common spices

Bacterial infection is resurging as one of the most dangerous challenges facing the medical establishment. Americans spend about 55 to 70 billion dollars per year on antibiotics, yet these antibiotics are becoming increasingly ineffective as illness-causing bacteria gain resistance to the prescribed drugs. We tested if 11 commonly-used spices could inhibit growth of the gram-negative bacteria, E. coli, the main takeaway from these experiments is that certain spices and herbs have antibacterial effects that inhibit growth of E.coli , and these spices could show similarly promising activity towards other bacteria.

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Utilizing meteorological data and machine learning to predict and reduce the spread of California wildfires

Bilwar et al. | Jan 15, 2024

Utilizing meteorological data and machine learning to predict and reduce the spread of California wildfires
Image credit: Pixabay

This study hypothesized that a machine learning model could accurately predict the severity of California wildfires and determine the most influential meteorological factors. It utilized a custom dataset with information from the World Weather Online API and a Kaggle dataset of wildfires in California from 2013-2020. The developed algorithms classified fires into seven categories with promising accuracy (around 55 percent). They found that higher temperatures, lower humidity, lower dew point, higher wind gusts, and higher wind speeds are the most significant contributors to the spread of a wildfire. This tool could vastly improve the efficiency and preparedness of firefighters as they deal with wildfires.

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Effect of Gram-positive bacteria on antibiotic resistance in Gram-negative bacteria

Willem et al. | Mar 12, 2024

Effect of Gram-positive bacteria on antibiotic resistance in Gram-negative bacteria

Antibiotics are one of the most common treatments for bacterial infections, but the emergence of antibiotic resistance is a major threat to the control of infectious diseases. Many factors contribute to the development of antibiotic resistance. One is bacterial conjugation from Gram-positive to Gram-negative bacteria where there is a transfer of resistance genes from Gram-positive to Gram-negative bacteria that could increase antibiotic resistance in the latter. In light of these observations, we decided to test whether Gram-negative bacteria that came into contact with Gram-positive bacteria had a higher resistance to the antimicrobial properties of spices than Gram-negative bacteria that did not come into contact with Gram-positive bacteria.

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Combinatorial treatment by siNOTCH and retinoic acid decreases A172 brain cancer cell growth

Richardson et al. | Nov 14, 2022

Combinatorial treatment by siNOTCH and retinoic acid decreases A172 brain cancer cell growth

Treatments inhibiting Notch signaling pathways have been explored by researchers as a new approach for the treatment of glioblastoma tumors, which is a fast-growing and aggressive brain tumor. Recently, retinoic acid (RA) therapy, which inhibits Notch signaling, has shown a promising effect on inhibiting glioblastoma progression. RA, which is a metabolite of vitamin A, is very important in embryonic cellular development, which includes the regulation of multiple developmental processes, such as brain neurogenesis. However, high doses of RA treatment caused many side effects such as headaches, nausea, redness around the injection site, or allergic reactions. Therefore, we hypothesized that a combination treatment of RA and siRNA targeting NOTCH1 (siNOTCH1), the essential gene that activates Notch signaling, would effectively inhibit brain cancer cell proliferation. The aim of the study was to determine whether inhibiting NOTCH1 would inhibit the growth of brain cancer cells by cell viability assay. We found that the combination treatment of siNOTCH1 and RA in low concentration effectively decreased the NOTCH1 expression level compared to the individual treatments. However, the combination treatment condition significantly decreased the number of live brain cancer cells only at a low concentration of RA. We anticipate that this novel combination treatment can provide a solution to the side effects of chemotherapy.

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Associations between substance misuse, social factors, depression, and anxiety among college students

Kouser et al. | Jun 12, 2023

Associations between substance misuse, social factors, depression, and anxiety among college students
Image credit: Jordan Encarnacao

Here, the authors considered the effects of relationship status and substance use on the mental health of colleges students, where they specifically examined their correlation with depression, anxiety, and the fear of missing out (FoMO). Through a survey of college students they found that those with higher substance misuse had higher levels of anxiety, depression, and FoMO, while those involved in longer-term relationships had lower levels of FoMo and alcohol use.

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Luteolin's positive inhibition of melanoma cell lines.

Su et al. | Nov 17, 2020

Luteolin's positive inhibition of melanoma cell lines.

Luteolin (3′,4′,5,7-tetrahydroxyflavone) is a flavonoid that occurs in fruits, vegetables, and herbs. Research suggests that luteolin is effective against various forms of cancer by triggering apoptosis pathways. This experiment analyzes the effects of luteolin on the cell viability of malignant melanoma cells using an in vitro experiment to research alternative melanoma treatments and hopefully to help further cancer research as a whole.

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The Effect of Neem on Common Nosocomial Infection-Causing Organisms

Shah et al. | Jan 27, 2020

The Effect of Neem on Common Nosocomial Infection-Causing Organisms

Nosocomial infections acquired in hospitals pose a risk to patients, a risk compounded by resistant microorganisms. To combat this problem, researchers have turned to bioactive compounds from medicinal plants such as the widely used neem. In the present study, researchers sought to determine the effectiveness of different neem preparations against several hospital acquired human pathogens. Neem powder in water successfully inhibited microorganism growth making it a potential agent to combat these infections.

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