Electrostatic Potential Analysis in Polyelectrolyte Brush-Grafted Microchannels Filled with Polyelectrolyte Dispersion [PDF]
Micromachines, 2021 In this study, the model framework that includes almost all relevant parameters of interest has been developed to quantify the electrostatic potential and charge density occurring in microchannels grafted with polyelectrolyte brushes and simultaneously ...
Byoungjin Chun, Myung-Suk Chun
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The Distance between Minima of Electron Density and Electrostatic Potential as a Measure of Halogen Bond Strength [PDF]
Molecules, 2022 In this study, we present results of a detailed topological analysis of electron density (ED) of 145 halogen-bonded complexes formed by various fluorine-, chlorine-, bromine-, and iodine-containing compounds with trimethylphosphine oxide, Me3PO.
Edem R. Chakalov +4 more
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Electrostatic potential difference between tumor and paratumor regulates cancer stem cell behavior and prognose tumor spread [PDF]
Bioengineering & Translational Medicine, 2023 Tumor spread is responsible for most deaths related to cancer. Increasing the accuracy of cancer prognosis is critical to reducing the high mortality rates in cancer patients.
Haoran Zhao +8 more
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Effect of methyl substituents on flotation performance of cationic collectors
工程科学学报, 2023 With the implementation of carbon peak and carbon neutrality vision, an amine collector has been extensively applied in reverse flotation of bauxite, iron, and phosphate ores for desiliconization.
Ben-ying WANG +3 more
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Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28·6H2O [PDF]
Journal of the Serbian Chemical Society, 2007 The X-ray structure of ammonium decavanadate hexahydrate was redetermined at a low temperature (100 K) in order to locate the hydrogen sites and to study the hydrogen bonds.
GORAN A. BOGDANOVIC +4 more
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Spectroscopic properties of Vitamin C: A theoretical work
Cumhuriyet Science Journal, 2020 Vitamin C is an important human micronutrient. It has many vital biological functions in human health. In this research paper, the molecule of vitamin C was optimized and energy band gaps were determined using DFT and HF methods. In computational quantum
Lana Ahmed, Rebaz Omer
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Frontiers in Chemistry, 2021 Cytochrome c oxidase (CcO) is a transmembrane protein complex that reduces molecular oxygen to water while translocating protons across the mitochondrial membrane.
Federico Baserga +7 more
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Structural comparison of two ferritins from the marine invertebrate Phascolosoma esculenta
FEBS Open Bio, 2021 For marine invertebrates with no adaptive immune system, ferritin is a major intracellular iron‐storage protein with a critical role in innate immunity.
Tinghong Ming +10 more
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Lactose and Galactose Promote the Crystallization of Human Galectin-10
Molecules, 2023 Galectin-10 (Gal-10) forms Charcot–Leyden crystals (CLCs), which play a key role in the symptoms of asthma and allergies and some other diseases. Gal-10 has a carbohydrate-binding site; however, neither the Gal-10 dimer nor the CLCs can bind sugars.
Yu-Fan Fu +6 more
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Molecules, 2023 Noncovalent sulfur interactions are ubiquitous and play important roles in medicinal chemistry and organic optoelectronic materials. Quantum chemical calculations predicted that the electrostatic potentials on the surface of the sulfur atom in organic ...
Ziyu Wang, Weizhou Wang, Hai-Bei Li
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