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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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Transfer learning and data augmentation in osteosarcoma cancer detection

Chu et al. | Jun 03, 2023

Transfer learning and data augmentation in osteosarcoma cancer detection
Image credit: Chu and Khan 2023

Osteosarcoma is a type of bone cancer that affects young adults and children. Early diagnosis of osteosarcoma is crucial to successful treatment. The current methods of diagnosis, which include imaging tests and biopsy, are time consuming and prone to human error. Hence, we used deep learning to extract patterns and detect osteosarcoma from histological images. We hypothesized that the combination of two different technologies (transfer learning and data augmentation) would improve the efficacy of osteosarcoma detection in histological images. The dataset used for the study consisted of histological images for osteosarcoma and was quite imbalanced as it contained very few images with tumors. Since transfer learning uses existing knowledge for the purpose of classification and detection, we hypothesized it would be proficient on such an imbalanced dataset. To further improve our learning, we used data augmentation to include variations in the dataset. We further evaluated the efficacy of different convolutional neural network models on this task. We obtained an accuracy of 91.18% using the transfer learning model MobileNetV2 as the base model with various geometric transformations, outperforming the state-of-the-art convolutional neural network based approach.

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Societal awareness regarding viral Hepatitis in developed and developing countries

Srivastava et al. | Oct 03, 2022

Societal awareness regarding viral Hepatitis in developed and developing countries

Many cases of viral hepatitis are easily preventable if caught early; however, a lack of public awareness regarding often leads to diagnoses near the final stages of disease when it is most lethal. Thus, we wanted to understand to what extent an individual's sex, age, education and country of residence (India or Singapore) impacts disease identification. We sent out a survey and quiz to residents in India (n = 239) and Singapore (n = 130) with questions that test their knowledge and awareness of the disease. We hypothesized that older and more educated individuals would score higher because they are more experienced, but that the Indian population will not be as knowledgeable as the Singaporean population because they do not have as many resources, such as socioeconomic access to schools and accessibility to healthcare, available to them. Additionally, we predicted that there would not be any notable differences between make and females. The results revealed that the accuracy for all groups we looked at was primarily below 50%, demonstrating a severe knowledge gap. Therefore, we concluded that if more medical professionals discussed viral hepatitis during hospital visits and in schools, patients can avoid the end stages of the disease in notable cases.

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Do elders care about eHealth? A correlational study between eHealth consumption and literacy

Liang et al. | Jul 19, 2023

Do elders care about eHealth? A correlational study between eHealth consumption and literacy
Image credit: Liang and Sposa

As digital tools become more prevalent in medicine, the ability for individuals to understand and take actions based on what they read on the internet is crucial. eHealth literacy is defined as as the ability to seek, find, understand, and evaluate health information from electronic sources and apply the knowledge gained to addressing or solving a health problem. In general, Americans have low eHealth literacy rates. However, limited research has been conducted to understand the eHealth literacy level among older Chinese adult immigrants in the U.S. To determine the eHealth literacy of elderly Chinese immigrants, we sent out an eHealth survey and relevant computer skills survey using a modified version of the eHEALS (eHealth Literacy Scale) health literacy test. We hypothesized that elders who consumed more electronic health content would have a higher eHealth literacy score. The results of this survey showed that there was a positive correlation between the frequency of electronic health information consumption and the participant's eHealth literacy rate. In addition, the results of our computer literacy test show that the frequency of consumption and computer literacy are positively correlated as well. There is a strong positive correlation between the level of computer skills and eHealth literacy of participants. These results reveal possible steps individuals can take to reduce health misinformation and improve their own health by attaining, understanding, and taking action on health material on the internet.

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The non-nutritive sweeteners acesulfame potassium and neotame slow the regeneration rate of planaria

Russo et al. | Nov 29, 2023

The non-nutritive sweeteners acesulfame potassium and neotame slow the regeneration rate of planaria
Image credit: Russo et al. 2023

The consumption of sugar substitute non-nutritive sweeteners (NNS) has dramatically increased in recent years. Despite being advertised as a healthy alternative, NNS have been linked to adverse effects on the body, such as neurodegenerative diseases (NDs). In NDs, neural stem cell function is impaired, which inhibits neuron regeneration. The purpose of this study was to determine if the NNS acesulfame potassium (Ace-K) and neotame affect planaria neuron regeneration rates. Since human neurons may regenerate, planaria, organisms with extensive regenerative capabilities due to stem cells called neoblasts, were used as the model organism. The heads of planaria exposed to either a control or non-toxic concentrations of NNS were amputated. The posterior regions of the planaria were observed every 24 hours to see the following regeneration stages: (1) wound healing, (2) blastema development, (3) growth, and (4) differentiation. The authors hypothesized that exposure to the NNS would slow planaria regeneration rates. The time it took for the planaria in the Ace-K group and the neotame group to reach the second, third, and fourth regeneration stage was significantly greater than that of the control. The results of this study indicated that exposure to the NNS significantly slowed regeneration rates in planaria. This suggests that the NNS may adversely impact neoblast proliferation rates in planaria, implying that it could impair neural stem cell proliferation in humans, which plays a role in NDs. This study may provide insight into the connection between NNS, human neuron regeneration, and NDs.

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Exploring natural ways to maintain keratin production in hair follicles

Roy et al. | Apr 29, 2024

Exploring natural ways to maintain keratin production in hair follicles
Image credit: Roy and Roy, 2024

We are looking into natural ways to help hair grow better and stronger by studying keratin synthesis in human hair follicles. The reason for conducting this research was to have the ability to control hair growth through future innovations. We wanted to answer the question: How can we find natural ways to enhance hair growth by understanding the connection with natural resources, particularly keratin dynamics? The main focus of this experiment is understanding the promotion of keratin synthesis within human hair follicles, which is important for hair development and health. While keratin is essential for the growth and strength of body tissues, including skin and hair, our research hints at its specific synthesis within hair follicles. In our research utilizing castor oil, coconut oil, a turmeric and baking soda mixture, and a sugar, honey, and lemon mixture, we hypothesize that oils, specifically coconut oil and castor oil, will enhance keratin synthesis, whereas mixtures, such as the turmeric and baking soda mixture and the sugar, honey, and lemon mixture, will result in a decrease keratin synthesis. The methods used show how different natural substances influence keratin formation within the hair follicles. The experiment involved applying natural resources to hair strands and follicles, measuring their length under the microscope daily, and assessing their health and characteristics over seven days. In summary, our research helps us understand how hair grows better. We found that using natural items like essential oils effectively alters keratin growth within the hair follicles and hair strands.

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