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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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Role of Environmental Conditions on Drying of Paint

Aggarwal et al. | Feb 20, 2021

Role of Environmental Conditions on Drying of Paint

Reducing paint drying time is an important step in improving production efficiency and reducing costs. The authors hypothesized that decreased humidity would lead to faster drying, ultraviolet (UV) light exposure would not affect the paint colors differently, white light exposure would allow for longer wavelength colors to dry at a faster rate than shorter wavelength colors, and substrates with higher roughness would dry slower. Experiments showed that trials under high humidity dried slightly faster than trials under low humidity, contrary to the hypothesis. Overall, the paint drying process is very much dependent on its surrounding environment, and optimizing the drying process requires a thorough understanding of the environmental factors and their interactive effects with the paint constituents.

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High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

Shern et al. | Jan 20, 2021

High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

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Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Chen et al. | Dec 20, 2020

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Lipases are a common class of enzymes that catalyze the breakdown of lipids. Here the authors characterize the the activity of pancreatic lipase in different organic solvents using a choloremetric assay, as well as using molecular dynamic simulations. They report that the activity of pancreatic lipase in 5% methanol is more than 25% higher than in water, despite enzyme stability being comparable in both solvents. This suggests that, for industrial applications, using pancreatic lipase in 5% methanol solution might increase yield, compared to just water.

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Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Sun et al. | Dec 18, 2020

Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.

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Testing Different Polymers and Boron Nitride Nanotube Properties in Fabrication of Ion-selective Membranes

Yi et al. | Sep 28, 2020

Testing Different Polymers and Boron Nitride Nanotube Properties in Fabrication of Ion-selective Membranes

One largely untapped source of clean energy is the use of osmotic gradients where freshwater and saltwater are mixed, for example at estuaries. To harness such energy, charge-selective membranes are needed to separate the anions and cations in saltwater, establishing an electric potential like a battery. The objective of this study was twofold: to investigate the creation of the polymer matrix and test the properties of boron nitride nanotubes, as both are essential in the creation of an ion-selective membrane. Out of three polymer samples tested in this study, the mixture known as Soltech 704 showed the best resistance to etching, as well as the highest UV cure rate.

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Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

Surapaneni et al. | Aug 06, 2020

Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

In an effort to reduce the production of hazardous substances, green chemistry aims to make chemical processes more sustainable. One way to do so is changing solvents in chemical reactions. Here, authors assessed different “green” solvents on the oxidation of (-)-menthol to (-)-menthone using Fourier-transform infrared (FTIR) spectroscopy, optimizing the solvent system for this reaction.

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Improving measurement of reducing sugar content in carbonated beverages using Fehling’s reagent

Zhang et al. | Jul 21, 2020

Improving measurement of reducing sugar content in carbonated beverages using Fehling’s reagent

The sugar-rich modern diet underlies a suite of metabolic disorders, most common of which is diabetes. Accurately reporting the sugar content of pre-packaged food and drink items can help consumers track their sugar intake better, facilitating more cognisant and, eventually, moderate consumption of high-sugar items. In this article, the authors examine the effect of several variables on the accuracy of Fehling's reaction, a colorimetric reaction used to estimate sugar content.

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