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Investigation of the correlation between trihalomethane concentrations and socioeconomic factors in NY State

Lee et al. | Aug 19, 2023

Investigation of the correlation between trihalomethane concentrations and socioeconomic factors in NY State

Trihalomethanes, probable human carcinogens, are commonly found disinfection by-products (DBPs) in public water systems (PWS). The authors investigated the correlation between trihalomethane concentrations and socioeconomic factors in New York State, finding a negative correlation between median household income and trihalomethane concentrations. The inverse association between trihalomethanes and household income may indicate socioeconomic disparity regarding drinking water quality and the need for improved efforts to assist small- and medium-sized community water systems to lower DBP levels in New York State.

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Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Yu et al. | Sep 12, 2022

Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Naturally occurring neuroactive alkaloids are often studied for their potential to treat Neurological diseases. This team of students study Rivastigmine, a potent cholinesterase inhibitor that is a synthetic analog of physostigmine, which comes from the Calabar bean plant Physostigma venenosum. By comparing the effects of optimized synthetic analogs to the naturally occurring alkaloid, they determine the most favorable analog for inhibition of acetylcholinesterase (AChE), the enzyme that breaks down the neurotransmitter acetylcholine (ACh) to terminate neuronal transmission and signaling between synapses.

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Factors Influencing Muon Flux and Lifetime: An Experimental Analysis Using Cosmic Ray Detectors

Samson et al. | May 18, 2020

Factors Influencing Muon Flux and Lifetime: An Experimental Analysis Using Cosmic Ray Detectors

Muons, one of the fundamental elementary particles, originate from the collision of cosmic rays with atmospheric particles and are also generated in particle accelerator collisions. In this study, Samson et al analyze the factors that influence muon flux and lifetime using Cosmic Ray Muon Detectors (CRMDs). Overall, the study suggests that water can be used to decrease muon flux and that scintillator orientation is a potential determinant of the volume of data collected in muon decay studies.

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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

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