Dichroic properties of bis(benzoxazolyl)stilbene and bis(benzoxazolyl)thiophene dispersed into oriented polyethylene films: A combined experimental and density functional theory approach

Article Abstract:

A combination of experimental and quantum mechanical investigations is performed for studying dichroic absorption properties of melt-processed linear low-density polyethylene (LLDPE) oriented films containing either 4,4'-bis(2-benzoxazolyl)stilbene (BBS) or 2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene (BTBBT). The films containing rodlike BBS show excellent dichroic properties in absorption and optical performances while oriented films based on BTBBT dye display very poor anisotropic behavior and is unsuitable for linear polarization applications.

Unsupported plastics film & sheet, Unsupported Plastics Film and Sheet (except Packaging) Manufacturing, Polyethylene Film, Analysis, Density functionals, Density functional theory, Polarization (Light)

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Toward the supramolecular structure of collagen: A molecular dynamics approach

Article Abstract:

The first extensive atomistic molecular dynamics (MD) simulation study of the structure and dynamics of collagen-like microfibril segment (CMS) dimers in pure water and in aqueous solutions of formaldehyde and gallic acid is presented. By exploiting docking and energy minimization procedures, it is possible to obtain stable supramolecular arrangements of collagen microfibril segments.

Biological Product (except Diagnostic) Manufacturing, Drugs, Collagen, Molecular dynamics, Aqueous solution reactions

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Combining theory and experiment to study the photooxidation of polyethylene and polypropylene

Article Abstract:

A methodology is proposed to obtain molecular interpretation and quantitative analysis on photooxidation of polyolefins. This methodology will be useful to gather more information in the fields of polymer science.

Plastics Material and Resin Manufacturing, Plastics materials and resins, Polypropylene, Polyethylene, Usage, Infrared spectroscopy

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