Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces: models for the prediction of performance of eco-designed formulations

Abstract

The substitution of natural, bio-based and/or biodegradable polymers for those of petrochemical origin in consumer formulations has become an active area of research and development as the sourcing and destiny...

Nanoscale friction of biomimetic hair surfaces

“…We expect that the biomimetic surfaces proposed here will be useful to screen the tribological performance of hair care formulations both experimentally and computationally. 47 Moreover, the methodology presented in this work could be readily extended to study the nanotribology of other biological surfaces such as natural textiles and skin. 11…”

“…We expect that the biomimetic surfaces proposed here will be useful to screen the tribological performance of hair care formulations both experimentally and computationally. 47 Moreover, the methodology presented in this work could be Table 2 CoF, μ, and Derjaguin offset, τ 0 , results from wet NEMD simulations (σ = 5-50 MPa) in pristine hair (χ N = 0.0), virgin hair (χ N = 0.25), damaged (medium bleached) hair (χ N = 0.85) and ultimately bleached hair (χ N = 1.0) contacts. Experimental results from CCP AFM using C 18 ( pristine hair) or SO 3 − (ultimately bleached) contacts (σ = 1-60 MPa) and previous AFM results for silicon nitride tips on virgin and damaged hairs (σ = 6-47…”

“…Both the experimental and simulation frameworks will serve as a useful benchmark for the high-throughput screening of the tribological performance of potential hair care formulations. 1,47 The methodology presented in this work is also expected to be applicable to investigate the nanotribology of other heterogeneous biological surfaces such as natural textiles and skin. 11…”

Exploring the Effects of Wetting and Free Fatty Acid Deposition on an Atomistic Hair Fiber Surface Model Incorporating Keratin-Associated Protein 5-1

“…This is necessary if one wishes to model how shampoo and conditioning formulations would interact and coat the hair surface, including their ability to repair damaged hair surfaces. 63 A strong understanding of dominant interactions in the all-atom structure is necessary to create coarse-grained models that accurately reflect the behavior they are meant to represent. However, there are several advantages of using the all-atom model described in this work that are not captured in a coarse-grained model including quantifying diffusion of water and other potential surface-permeating activities in the KAP5-1 layer, measuring hydrogen bonding interactions between the hair surface and adsorbents, and measuring the flexibility in the protein secondary structure that is usually fixed in the popular MARTINI force field.…”

Modular Software for Generating and Modelling Diverse Polymer Databases

“…The diverse chemical, mechanical and electronic properties of polymers underlie their application in relevant technological areas spanning structural materials, cosmetics, pharmaceutical formulation, electronics, and biotechnology. [1][2][3][4][5][6][7][8][9][10] In order to optimize their aforementioned properties for this range of applications, the role of polymer constitution and topology has been widely explored, with a range of architectures including homopolymers, block copolymers, branched and ring polymers. [11][12][13][14][15][16][17] As a result of contemporary research activities, the chemical and structural domains of synthetic polymers are continuously growing.…”