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Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok et al. | Jun 24, 2022

Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

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Effects of caffeine on muscle signals measured with sEMG signals

Park et al. | Jun 20, 2022

Effects of caffeine on muscle signals measured with sEMG signals

Here, the authors used surface electromyography to measure the effects of caffeine intake on the resting activity of muscles. They found a significant increase in the measured amplitude suggesting that caffeine intake increased the number of activated muscle fibers during rest. While previous research has focused on caffeine's effect on the contraction signals of muscles, this research suggests that its effects extend to even when a muscle is at rest.

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A new hybrid cold storage material

Zhang et al. | Jun 05, 2022

A new hybrid cold storage material

With low-temperature transportation being critical for the progress of research and medical services by preserving biological samples and vaccines, the optimization of cold storage materials is more critical now than ever. The exclusive use of dry ice has its limitations. Notably, it proves insufficient for cold storage during long-range transportation necessary for the delivery of specimens to rural areas. In this article, the authors have proposed a new means of cold storage through the combination of dry ice and ethanol. Upon thorough analysis, the authors have determined their new method as considerably better than the use of pure dry ice across many characteristics, including cold storage capacity, longevity of material, and financial and environmental feasibility.

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Impact of study partner status and group membership on commitment device effectiveness among college students

Gupta et al. | Jun 03, 2022

Impact of study partner status and group membership on commitment device effectiveness among college students

Here seeking to identify a possible solution to procrastination among college students, the authors used an online experiment that involved the random assignment of study partners that they shared their study time goal with. These partners were classified by status and group membership. The authors found that status and group membership did not significantly affect the likelihood of college students achieving their committed goals, and also suggest the potential of soft commitment devices that take advantage of social relationships to reduce procrastination.

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Modulation of VEGF and TGF beta in 5-FU induced inflammation in MCF-7 using an herbal formulation

Vinay Nair et al. | Jun 03, 2022

Modulation of VEGF and TGF beta in 5-FU induced inflammation in MCF-7 using an herbal formulation

Acquired drug resistance is an increasing challenge in treating cancer with chemotherapy. One mechanism
behind this resistance is the increased inflammation that supports the progression and development of
cancer that arises because of the drug’s presence. Integrative oncology is the field that focuses on including natural products alongside traditional therapy to create a treatment that focuses on holistic patient well-being.
In this study, the authors demonstrate that the use of an herbal formulation, consisting of turmeric and green tea, alongside a traditional chemotherapeutic drug, 5-fluorouracil (FU) significantly decreases the level of cytokines produced in breast cancer cells when compared to the levels produced when exposed solely to the chemo drug. The authors conclude that this combination of treatment, based on the principle of integrative oncology, shows potential for reducing the resistance against treatment conferred through increased inflammation. Consequently, this suggests a prospective way forward in improving the efficacy of cancer treatment.

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A potentially underestimated source of CO2 and other greenhouse gases in agriculture

Corcimaru et al. | May 18, 2022

A potentially underestimated source of CO<sub>2</sub> and other greenhouse gases in agriculture

Here the authors investigated the role of agricultural fertilizers as potential contributors to greenhouse gas emissions. In contrast to the typical investigations that consider microbiological processes, the authors considered purely chemical processes. Based on their results they found that as much as 20.41% of all CO2 emission from land-based activities could be a result of mineral nitrogen fertilizers.

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