Effects of surfactant adsorption on the wettability and friction of biomimetic surfaces

Article Chemistry, Applied

Friction dynamics of human hair treated with water or cationic surfactant aqueous solution

Momoka Sano et al.

Summary: Cationic surfactants on human hair can reduce friction coefficient and delay time, providing a lubricating effect. Untreated hair shows oscillatory phenomenon during friction, while hair with a large amount of water does not.

JOURNAL OF SURFACTANTS AND DETERGENTS (2023)

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Article Chemistry, Applied

Hair surface interactions against different chemical functional groups as a function of environment and hair condition

Leslie Labarre et al.

Summary: This study investigates the interactions between untreated and chemically treated hair samples and different chemical functional groups using Chemical Force Microscopy. The results show that adhesion on hair surfaces is mainly determined by capillary force at room temperature and is replaced by electrostatic interaction when polar groups are present. Hydrophobic interaction plays a major role when hair and hydrophobic functionalized AFM cantilever make contact in water. The findings provide important insights for the design of hair care products.

INTERNATIONAL JOURNAL OF COSMETIC SCIENCE (2023)

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Article Chemistry, Physical

Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics

Karel Sindelka et al.

Summary: We investigate the interaction between surfactant-C(n)FA monolayers and the human hair surface in different conditions using mesoscopic modelling. The model reveals the formation of a dense adsorbed layer due to the interactions of the cationic surfactant CTAC and C(n)FA alkyl tails with the hydrophobic hair surface. The desorption of CTAC and C(n)FA chains from the adsorbed layer is influenced by different factors and can lead to the formation of self-assembled structures in the bulk solution.

JOURNAL OF MOLECULAR LIQUIDS (2023)

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Article Chemistry, Multidisciplinary

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

Jeffrey M. Sanders et al.

Summary: This study used molecular dynamics (MD) simulations to investigate the molecular details of the outermost surface of human hair fiber (F-layer) and revealed properties of 18-methyl eicosanoic acid (18-MEA) such as surface density, layer thickness, and tilt angles. The results showed that damaged hair surfaces have reduced 18-MEA density, allowing water penetration into the protein layer. The study also demonstrated the ability to predict the response of 18-MEA to naturally occurring fatty acids in dry and wet conditions, providing possibilities for studying the adsorption behavior of larger, more complex molecules and formulations.

LANGMUIR (2023)

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Article Chemistry, Multidisciplinary

Nanoscale friction of biomimetic hair surfaces

Erik Weiand et al.

Summary: We studied the nanoscale friction of biomimetic hair surfaces using chemical colloidal probe atomic force microscopy experiments and nonequilibrium molecular dynamics simulations. The experiments involved measuring friction between water-lubricated silica surfaces functionalised with monolayers of octadecyl or sulfonate groups, which represent the surfaces of virgin and bleached hair, respectively. The simulations examined friction between coarse-grained model hair surfaces with varying degrees of chemical damage, where octadecyl groups were replaced with sulfonate groups. Our results indicate that modified surface chemistry, rather than roughness changes or subsurface damage, controls the increase in nanoscale friction of bleached or chemically damaged hair. These findings have implications for screening the tribological performance of hair care formulations.

NANOSCALE (2023)

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Article Engineering, Biomedical

Site-specific variations in surface structure and Young's modulus of human hair surfaces at the nanometer scale as induced through bleach treatment

Rose Humphry et al.

Summary: This study investigates the effect of bleach treatments on the morphology and mechanical properties of hair surfaces at the nanometer scale using atomic force microscopy. The results show that exposure to bleach leads to significant variations in roughness and Young's modulus, with the degree of change increasing with the number of treatments. Additionally, the study reveals the profound impact bleaching has on the molecular structure of hair, which should be considered when formulating hair-care products in the future.

JOURNAL OF THE MECHANICAL BEHAVIOR OF BIOMEDICAL MATERIALS (2022)

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Article Chemistry, Physical

Coarse-grained molecular models of the surface of hair

Erik Weiand et al.

Summary: In this study, a coarse-grained molecular model of the surface of human hair is presented, and the structural and wetting behavior of lipid monolayers at different levels of damage are studied through simulations and experiments. The model captures the transition of the hair surface from hydrophobic to hydrophilic and shows good agreement with experimental results. These models are important for understanding the adsorption and tribological behavior of hair as well as other chemically heterogeneous surfaces.

SOFT MATTER (2022)

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Article Computer Science, Interdisciplinary Applications

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson et al.

Summary: LAMMPS, a classical molecular dynamics simulator released as an open source code in 2004, has gained popularity for its wide variety of particle interaction models, platform compatibility, and user control over simulation details. With contributions from numerous developers, it has grown from 50,000 lines of code to a million today, showcasing new capabilities like dynamic load balancing and quantum-accuracy machine learning interatomic potentials.

COMPUTER PHYSICS COMMUNICATIONS (2022)

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Article Chemistry, Multidisciplinary

Nanoscale Effects on the Surfactant Adsorption and Interface Charging in Hexadecane/Water Emulsions

Dana Glikman et al.

Summary: The size and curvature of oil droplets at the nanoscale significantly affect the adsorption of surfactants at interfaces and the surface charge density. The surface charge decreases dramatically with smaller particle sizes, influencing the stability and properties of nanoemulsions.

ACS NANO (2021)

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Article Chemistry, Physical

Interplay between surfactant self-assembly and adsorption at hydrophobic surfaces: insights from dissipative particle dynamics

Karel Sindelka et al.

Summary: The study investigates the self-organisation of aqueous surfactants into micelles in bulk phase and their adsorption behavior on a hydrophobic surface using dissipative particle dynamics simulations. It is found that the alkyl tail length primarily affects the formation of micelles in bulk, while both alkyl tail and head chain lengths influence the adsorption behavior on the surface.

MOLECULAR PHYSICS (2021)

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Article Biochemistry & Molecular Biology

Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics

Andrew Jewett et al.

Summary: Coarse-grained models are crucial in studying biomolecular dynamics and assembly, but simulating them can be challenging due to unconventional force fields and particle attributes, as well as systems not being in thermal equilibrium. Moltemplate is a file format for storing coarse-grained molecular models and forces, with broad scope and popularity in computational chemistry, materials science, and structural biology. It accommodates new forces developed for LAMMPS, making it a useful tool with thousands of users.

JOURNAL OF MOLECULAR BIOLOGY (2021)

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Review Chemistry, Physical

Surface science of cosmetic substrates, cleansing actives and formulations

Gustavo S. Luengo et al.

Summary: The development of shampoo and cleansing formulations in cosmetics is at a crossroads, with a shift towards more natural, higher-performing products and improved sustainability. It is crucial to establish the science behind cleansing technologies and understand the specificity of biological surfaces like hair, while also incorporating digital sciences and modeling into new ingredient and formulation concepts.

ADVANCES IN COLLOID AND INTERFACE SCIENCE (2021)

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Article Chemistry, Physical

Finite-Size Effects and Optimal System Sizes in Simulations of Surfactant Micelle Self-Assembly

Jonathan J. Harris et al.

Summary: The study systematically characterized the finite-size effect in DPC micelles using the MARTINI model, finding that the mean micelle aggregation number oscillates as the system size increases. Additionally, oscillations were observed in the estimated critical micelle concentration.

JOURNAL OF PHYSICAL CHEMISTRY B (2021)

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Article Nanoscience & Nanotechnology

Adsorption and Desorption of Polymers on Bioinspired Chemically Structured Substrates

Tatiana Morozova et al.

Summary: This study investigates the adsorption of hydrophilic flexible homopolymers on a substrate representing the surface of the hair using coarse-grained molecular dynamics simulations. The research examines the impact of polymer chain length and concentration on adsorbed structures, as well as the stability of these structures under a linear shear flow. The work aims to develop models of complex macromolecules interacting with realistic biological surfaces for the development of more ecofriendly industrial products.

ACS APPLIED MATERIALS & INTERFACES (2021)

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Review Chemistry, Physical

Comprehensive review on surfactant adsorption on mineral surfaces in chemical enhanced oil recovery

Zilong Liu et al.

Summary: This review focuses on the key issue of surfactant adsorption in chemical enhanced oil recovery (cEOR) and addresses major concerns regarding surfactant adsorption processes. Factors that affect surfactant adsorption such as surfactant characteristics, solution chemistry, rock mineralogy, and temperature were discussed systematically. Various strategies to minimize surfactant adsorption and improve flooding strategies were highlighted to address current trends and future challenges in surfactant-based EOR under harsh conditions.

ADVANCES IN COLLOID AND INTERFACE SCIENCE (2021)

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Article Biochemistry & Molecular Biology

Impact of Processing Conditions on Rheology, Tribology and Wet Lubrication Performance of a Novel Amino Lipid Hair Conditioner

Omolade Ajayi et al.

Summary: This study aimed to evaluate the performance of a novel cationic amino lipid surfactant compared to conventional surfactants in hair conditioner formulations. Results showed that higher shear mixing rates during formulation lead to poorer performance effects, such as decreased yield stress values, lower percentage reduction in combing force, and a higher coefficient of friction.

COSMETICS (2021)

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Article Chemistry, Physical

Promising Route for the Development of a Computational Framework for Self-Assembly and Phase Behavior Prediction of Ionic Surfactants Using MARTINI

Stefanos D. Anogiannakis et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2020)

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Article Chemistry, Physical

Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations

Stavros D. Peroukidis et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)

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Article Polymer Science

Self-Consistent Mean Field Calculations of Polyelectrolyte-Surfactant Mixtures in Solution and upon Adsorption onto Negatively Charged Surfaces

Eduardo Guzman et al.

POLYMERS (2020)

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Article Chemistry, Physical

The Role of Chemical Heterogeneity in Surfactant Adsorption at Solid-Liquid Interfaces

Jason Klebes et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)

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Review Biochemistry & Molecular Biology

Physicochemical Aspects of the Performance of Hair-Conditioning Formulations

Laura Fernandez-Pena et al.

COSMETICS (2020)

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Article Chemistry, Analytical

Nanoscale Surface Charge Visualization of Human Hair

Faduma M. Maddar et al.

ANALYTICAL CHEMISTRY (2019)

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Review Biotechnology & Applied Microbiology

Studying surfactants adsorption on heterogeneous substrates

Alberto Striolo

CURRENT OPINION IN CHEMICAL ENGINEERING (2019)

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Review Biochemistry & Molecular Biology

Degradation of Hair Surface: Importance of 18-MEA and Epicuticle

Shinichi Tokunaga et al.

COSMETICS (2019)

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Review Chemistry, Applied

A review of shampoo surfactant technology: consumer benefits, raw materials and recent developments

P. A. Cornwell

INTERNATIONAL JOURNAL OF COSMETIC SCIENCE (2018)

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Article Chemistry, Physical

Coarse-Grain Molecular Dynamics Simulations To Investigate the Bulk Viscosity and Critical Micelle Concentration of the Ionic Surfactant Sodium Dodecyl Sulfate (SDS) in Aqueous Solution

Yosadara Ruiz-Morales et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

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Review Engineering, Mechanical

Advances in nonequilibrium molecular dynamics simulations of lubricants and additives

J. P. Ewen et al.

FRICTION (2018)

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Article Chemistry, Multidisciplinary

Counteracting Interfacial Energetics for Wetting of Hydrophobic Surfaces in the Presence of Surfactants

Bijoyendra Bera et al.

LANGMUIR (2018)

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Article Chemistry, Physical

Coarse-grained molecular dynamics simulation of the interface behaviour and self-assembly of CTAB cationic surfactants

Silvia Illa-Tuset et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

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Article Chemistry, Applied

Measuring the frequency of consumer hair combing and magnitude of combing forces on individual hairs in a tress and the implications for product evaluation and claims substantiation

S. New et al.

INTERNATIONAL JOURNAL OF COSMETIC SCIENCE (2018)

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Article Materials Science, Biomaterials

Effect of Surface Treatments on the Nanomechanical Properties of Human Hair

Nan Wang et al.

ACS BIOMATERIALS SCIENCE & ENGINEERING (2018)

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Article Chemistry, Physical

Parameterization of Palmitoylated Cysteine, Farnesylated Cysteine, Geranylgeranylated Cysteine, and Myristoylated Glycine for the Martini Force Field

Yoav Atsmon-Raz et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2017)

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Article Chemistry, Physical

Modeling of Polyelectrolyte Adsorption from Micellar Solutions onto Biomimetic Substrates

Soumi Banerjee et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2017)

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Article Chemistry, Physical

Coarse-grained molecular simulation of self-assembly nanostructures of CTAB on nanoscale graphene

Shuyan Liu et al.

MOLECULAR SIMULATION (2016)

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Article Chemistry, Physical

Surface active complexes formed between keratin polypeptides and ionic surfactants

Fang Pan et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2016)

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Article Chemistry, Multidisciplinary

Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study

Andrew Z. Summers et al.

LANGMUIR (2016)

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Article Chemistry, Multidisciplinary

Nonequilibrium Molecular Dynamics Simulations of Organic Friction Modifiers Adsorbed on Iron Oxide Surfaces

James P. Ewen et al.

LANGMUIR (2016)

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Article Chemistry, Multidisciplinary

Adsorption of natural surface active compounds obtained from corn on human hair

M. Rincon-Fontan et al.

RSC ADVANCES (2016)

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Article Multidisciplinary Sciences

Ice-like water supports hydration forces and eases sliding friction

Nishad Dhopatkar et al.

SCIENCE ADVANCES (2016)

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Article Chemistry, Physical

Adsorption of polyelectrolytes and polyelectrolytes-surfactant mixtures at surfaces: a physico-chemical approach to a cosmetic challenge

Sara Llamas et al.

ADVANCES IN COLLOID AND INTERFACE SCIENCE (2015)

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Article Chemistry, Physical

Coarse-Graining the Liquid-Liquid Interfaces with the MARTINI Force Field: How Is the Interfacial Tension Reproduced?

Makha Ndao et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

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Article Chemistry, Multidisciplinary

Coarse-Grained Molecular Dynamics Simulation of Self-Assembly and Surface Adsorption of Ionic Surfactants Using an Implicit Water Model

Shihu Wang et al.

LANGMUIR (2015)

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Article Polymer Science

Modeling the Adsorption of Rheology Modifiers onto Latex Particles Using Coarse-Grained Molecular Dynamics (CG-MD) and Self-Consistent Field Theory (SCFT)

Valeriy V. Ginzburg et al.

MACROMOLECULES (2015)

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Article Chemistry, Physical

Surfactant-polymer interactions: molecular architecture does matter

S. Banerjee et al.

SOFT MATTER (2015)

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Article Chemistry, Physical

Surface-Bulk Partition of Surfactants Predicted by Molecular Dynamics Simulations

Chunwei Yang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2014)

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Article Chemistry, Multidisciplinary

Structure and Friction of Stearic Acid and Oleic Acid Films Adsorbed on Iron Oxide Surfaces in Squalane

Michael Doig et al.

LANGMUIR (2014)

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Article Chemistry, Multidisciplinary

Normal and Shear Forces between Charged Solid Surfaces Immersed in Cationic Surfactant Solution: The Role of the Alkyl Chain Length

Gilad Silbert et al.

LANGMUIR (2014)

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Article Chemistry, Multidisciplinary

Distribution and Localization of Hydrophobic and Ionic Chemical Groups at the Surface of Bleached Human Hair Fibers

Michael Korte et al.

LANGMUIR (2014)

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Article Engineering, Chemical

On the Fractal Dimension of Rough Surfaces

B. N. J. Persson

TRIBOLOGY LETTERS (2014)

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Review Chemistry, Multidisciplinary

Perspective on the Martini model

Siewert J. Marrink et al.

CHEMICAL SOCIETY REVIEWS (2013)

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Article Chemistry, Physical

Salt-specific effects in aqueous dispersions of carbon nanotubes

Manaswee Suttipong et al.

SOFT MATTER (2013)

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Article Chemistry, Physical

Coarse-graining MARTINI model for molecular-dynamics simulations of the wetting properties of graphitic surfaces with non-ionic, long-chain, and T-shaped surfactants

Danilo Sergi et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

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Article Chemistry, Physical

Modeling the Self-Assembly and Stability of DHPC Micelles Using Atomic Resolution and Coarse Grained MD Simulations

Johan F. Kraft et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

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Article Chemistry, Physical

Coarse-Grained Molecular Simulation of Self-Assembly for Nonionic Surfactants on Graphene Nanostructures

Dan Wu et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

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Article Chemistry, Physical

Investigation of the damage on the outermost hair surface using ToF-SIMS and XPS

Masayuki Okamoto et al.

SURFACE AND INTERFACE ANALYSIS (2012)

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Article Biochemical Research Methods

Effect of SDS on human hair: Study on the molecular structure and morphology

Bhawana Singh et al.

JOURNAL OF BIOPHOTONICS (2011)

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Article Chemistry, Multidisciplinary

Influence of Surface Roughness on Cetyltrimethylammonium Bromide Adsorption from Aqueous Solution

Shuqing Wu et al.

LANGMUIR (2011)

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Article Chemistry, Physical

ToF-SIMS characterization of the lipid layer on the hair surface. I: the damage caused by chemical treatments and UV radiation

Taichi Habe et al.

SURFACE AND INTERFACE ANALYSIS (2011)

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Article Chemistry, Physical

ToF-SIMS characterization of the lipid layer on the hair surface. II: Effect of the 18-MEA lipid layer on surface hydrophobicity

Masayuki Okamoto et al.

SURFACE AND INTERFACE ANALYSIS (2011)

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Article Biophysics

Nanotribological characterization of human head hair by friction force microscopy in dry atmosphere and aqueous environment

Nikos Nikogeorgos et al.

BIOINTERPHASES (2010)

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Article Materials Science, Textiles

Restoring Important Hair Properties with Wool Keratin Proteins and Peptides

Clara Barba et al.

FIBERS AND POLYMERS (2010)

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Article Chemistry, Multidisciplinary

Interactions between Crossed Hair Fibers at the Nanoscale

Hiroyasu Mizuno et al.

LANGMUIR (2010)

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Article Chemistry, Physical

Lateral confinement effects on the structural properties of surfactant aggregates: SDS on graphene

Naga Rajesh Tummala et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

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Article Microscopy

A novel AFM based method for force measurements between individual hair strands

Eva Max et al.

ULTRAMICROSCOPY (2010)

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Article Biochemical Research Methods

Polarizable Water Model for the Coarse-Grained MARTINI Force Field

Semen O. Yesylevskyy et al.

PLOS COMPUTATIONAL BIOLOGY (2010)

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Article Nanoscience & Nanotechnology

Surface Deposition and Phase Behavior of Oppositely Charged Polyion/Surfactant Ion Complexes. 1. Cationic Guar versus Cationic Hydroxyethylcellulose in Mixtures with Anionic Surfactants

Anna V. Svensson et al.

ACS APPLIED MATERIALS & INTERFACES (2009)

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Article Chemistry, Physical

A coarse-grained molecular dynamics simulation of a sodium dodecyl sulfate micelle in aqueous solution

Seifollah Jalili et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2009)

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Article Biophysics

The adsorption behavior of cationic surfactant onto human hair fibers

Guoxia Ran et al.

COLLOIDS AND SURFACES B-BIOINTERFACES (2009)

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Article Chemistry, Multidisciplinary

PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics Simulations

L. Martinez et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

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Article Chemistry, Multidisciplinary

Adsorption of CTAB on Hydrophilic Silica Studied by Linear and Nonlinear Optical Spectroscopy

Eric Tyrode et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

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Review Materials Science, Multidisciplinary

Nanoscale characterization of human hair and hair conditioners

Bharat Bhushan

PROGRESS IN MATERIALS SCIENCE (2008)

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Article Chemistry, Physical

The MARTINI force field: Coarse grained model for biomolecular simulations

Siewert J. Marrink et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

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Article Polymer Science

Wetting properties of human hair by means of dynamic contact angle measurement

Richard A. Lodge et al.

JOURNAL OF APPLIED POLYMER SCIENCE (2006)

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Article Physics, Multidisciplinary

Influence of surface roughness on superhydrophobicity

C. Yang et al.

PHYSICAL REVIEW LETTERS (2006)

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Article Microscopy

Nano tribological characterization of human hair and skin using atomic force microscopy

C LaTorre et al.

ULTRAMICROSCOPY (2005)

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Article Materials Science, Coatings & Films

Nanotribological effects of hair care products and environment on human hair using atomic force microscopy

C LaTorre et al.

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A (2005)

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Article Biophysics

Hair protein removal by sodium dodecyl sulfate

RDC Wagner et al.

COLLOIDS AND SURFACES B-BIOINTERFACES (2005)

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Article Biochemistry & Molecular Biology

Effect of the covalently linked fatty acid 18-MEA on the nanotribology of hair's outermost surface

S Breakspear et al.

JOURNAL OF STRUCTURAL BIOLOGY (2005)

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Article Chemistry, Physical

The influence of chain length and electrolyte on the adsorption kinetics of cationic surfactants at the silica-aqueous solution interface

R Atkin et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2003)

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Article Chemistry, Physical

Friction of gels. 7. Observation of static friction between like-charged gels

G Kagata et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2003)

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Article Chemistry, Applied

Surface interaction of quaternary amines with hair

BC Beard et al.

JOURNAL OF SURFACTANTS AND DETERGENTS (2002)

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Article Chemistry, Physical

Chemical modifications on human hair studied by means of contact angle determination

R Molina et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2001)

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Article Chemistry, Physical

Kinetics of micellization: its significance to technological processes

A Patist et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2001)

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Effects of surfactant adsorption on the wettability and friction of biomimetic surfaces

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