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The structure and morphology of polyethylene (PE) produced during solution polymerization using bis(imino)pyridyl metal catalysts supported by flat SiO 2 /Si(100) wafers were investigated by atomic force microscopy (AFM) and electron diffraction. Depending on the polymerization temperature, ranging from RT to 85°C, different morphologies of the nascent PE have been observed. “Sea weed” like...
The 3D structure of the AmiF formamidase of Helicobacter pylori (denoted as AmiF(fhp)) is built by homology modeling. The docking studies show that AmiF(fhp) has restricted substrate specificity, as it only hydrolyzes formamide. In order to reveal the reaction mechanism and the catalytic role for Cys166, Lys133 and Asp168 in AmiF(fhp), three quantum mechanics' models are constructed based on the 3D...
With the aid of the automated molecular docking, the inhibition effect of 20(S)-Protopanaxadiol (PPD) and Ginsenoside Rh2 for CYP2C9 and CYP3A4, respectively, were studied by InsightII/Affinity program and the docking complexes were analyzed by InsightII/Ludi program. The results indicate that PPD is a competitive inhibitor for CYP2C9 but a poor inhibitor for CYP3A4, Rh2 is a noncompetitive inhibitor...
In order to understand the mechanisms of substrate specificity and the interaction between bergaptol and bergaptol O-methyltransferase (BMT), a 3D model of BMT is generated based on the crystal structure of caffeic acid 3-O-methyltransferase (COMT EC 2.1.1.68, PDB code 1KYZ) by using the InsightII/Homology module. With the aid of the molecular mechanics and molecular dynamics methods, the final refined...
Poly(dimethylsiloxane) (PDMS)-based hybrid materials were prepared by the sol–gel method on Si wafers, Al and polystyrene (PS) substrates. The reaction was monitored by attenuated total reflectance-infrared (ATR-IR) spectroscopy. The hybrid materials have always one surface made in contact with air and one with a substrate. These surfaces were investigated by using tapping mode atomic force microscopy...
Jasmonic acid (JA) is a plant volatile that acts as an important cellular regulator mediating diverse developmental processes and defense responses. Not only the attacked plant but also neighboring plants are affected, becoming more attractive to herbivore predators and less susceptible to invaders. The three-dimensional (3D) model of methyl jasmonate esterase (MJE), which is only responsible for...
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