Insights About CHAPS Aggregation Obtained by Spin Label EPR Spectroscopy

Rodi, Pablo Marcelo; Gianello, M. D. Bocco; Gennaro, Ana María

doi:10.1007/s00723-014-0604-9

Cited by 8 publications

(6 citation statements)

References 23 publications

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“…Gennaro et al 35 have studied the EPR spectra of solutions of CHAPS molecules at several concentrations, using stearic acid labeled at positions 5, 12, and 16 of the acyl chain. For the case of the spin labeled at site 12 of the acyl chain of the fatty acid they found broader peaks than with the other positions.…”

Section: Resultsmentioning

confidence: 99%

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Structural Properties of CHAPS Micelles, Studied by Molecular Dynamics Simulations

2014

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Detergents are essential tools to study biological membranes, and they are frequently used to solubilize lipids and integral membrane proteins. Particularly the nondenaturing zwitterionic detergent usually named CHAPS was designed for membrane biochemistry and integrates the characteristics of the sulfobetaine-type detergents and bile salts. Despite the available experimental data little is known about the molecular structure of its micelles. In this work, molecular dynamics simulations were performed to study the aggregation in micelles of several numbers of CHAPS (≤ 18) starting from a homogeneous water dilution. The force field parameters to describe the interactions of the molecule were developed and validated. After 50 ns of simulation almost all the systems result in the formation of stable micelles. The molecular shape (gyration radii, volume, surface) and the molecular structure (RDF, salt bridges, H-bonds, SAS) of the micelles were characterized. It was found that the main interactions that lead to the stability of the micelles are the electrostatic ones among the polar groups of the tails and the OH's from the ring moiety. Unlike micelles of other compounds, CHAPS show a grainlike heterogeneity with hydrophobic micropockets. The results are in complete agreement with the available experimental information from NMR, TEM, and SAXS studies, allowing the modeling of the molecular structure of CHAPS micelles. Finally, we hope that the new force field parameters for this detergent will be a significant contribution to the knowledge of such an interesting molecule.

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Section: Resultsmentioning

confidence: 99%

“…We found that the correlation times in our determinations are similar to those found for the movement of the magnetic orbital of spin labels inserted in CHAPS micelles measured by EPR. 35 This fact means that the rotation of the micelle as a whole is observable in the line shapes of the EPR spectra.…”

Section: Discussionmentioning

confidence: 99%

Structural Properties of CHAPS Micelles, Studied by Molecular Dynamics Simulations

2014

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“…CHAPS is a zwitterionic detergent with a rigid ring structure that may modulate micelle packing and microviscosity. There is a more polar side of the rigid ring system that has three hydroxyl groups that impact how the molecules interact in the micelle (15,19,30). Nonetheless, CHAPS forms micelles, and the rigid ring structure is predicted to modulate the fluidity of the four detergents FC12, FC14, DM, and DDM investigated.…”

Section: Effect Of Sterol-like Detergents On Detergent Micelle Dynamicsmentioning

confidence: 99%

“…Molecular dynamics studies report that the chain dihedral and CH 2 order parameters in dodecylphosphocholine micelles were comparable to that of the bilayer (24) and that the dihedral transition rate was slower in micelles than that of a DPPC bilayer (24,25). A comparison of electron paramagnetic resonance (EPR) studies of bilayers (26)(27)(28)(29) and micelles (30)(31)(32)(33)(34)(35) suggests that the rotational dynamics of the alkyl chains can be similar or different depending on the detergent micelle and bilayer. Micelle dynamics could be modulated by numerous intermolecular forces between the detergent monomers.…”

Section: Introductionmentioning

confidence: 99%

The Fluidity of Phosphocholine and Maltoside Micelles and the Effect of CHAPS

Kieber

Ono

Oliver

et al. 2019

Biophysical Journal

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The dynamics of phosphocholine and maltoside micelles, detergents frequently used for membrane protein structure determination, were investigated using electron paramagnetic resonance of spin probes doped into the micelles. Specifically, phosphocholines are frequently used detergents in NMR studies, and maltosides are frequently used in x-ray crystallography structure determination. Beyond the structural and electrostatic differences, this study aimed to determine whether there are differences in the local chain dynamics (i.e., fluidity). The nitroxide probe rotational dynamics in longer chain detergents is more restricted than in shorter chain detergents, and maltoside micelles are more restricted than phosphocholine micelles. Furthermore, the micelle microviscosity can be modulated with mixtures, as demonstrated with mixtures of 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate with n-dodecylphosphocholine, n-tetradecylphosphocholine, n-decyl-b-D-maltoside, or n-dodecyl-b-D-maltoside. These results indicate that observed differences in membrane protein stability in these detergents could be due to fluidity in addition to the already determined structural differences.

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“…Solubilize membrane proteins and supports cyclohexane hydroxylase of cytochrome P-450 LM2, NADPH-cytochrome reductase and yeast alcohol dehydrogenase (Qin et al, 2010(Qin et al, , 2011Rodi et al, 2014;Wagner et al, 1984;Yang et al, 2001).…”

Section: -[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate (Chaps)mentioning

confidence: 99%

Properties and applications of amphoteric surfactant: A concise review

Sarkar

Pal

Rakshit

et al. 2021

J Surfact & Detergents

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Amphoteric surfactants have long hydrophobic hydrocarbon chain and hydrophilic positive as well as negative charged center connected with each other by a spacer group. Thus, this type of surfactant maintains overall charged neutrality. The properties of amphoteric surfactants depend primarily on the length of the hydrophobic hydrocarbon chain, the number of methylene segments in the spacer, the positive and negative charged groups, and their relative position. The ionic activity of amphoteric surfactants is influenced according to the pH value of the solvent. They display cationic behavior below the isoelectric points and anionic behavior at a higher pH. They take the shape of zwitterions in the area of the isoelectric point. In fact, amphoteric surfactants can be parted into pH‐sensitive and pH‐insensitive surfactants. The pH‐insensitive surfactants stay as zwitterionic form irrespective of the pH of the solution. This surfactant has some unique features because of its precise molecular structure as follows: high water solubility, high surface activities, a wide isoelectric range, low critical micelle concentration (CMC), high foam stability, low toxicity, low irritating, excellent biodegradability, bioactivity, interface change, and so on. Because of these special characteristics, amphoteric surfactants have been immensely interested in many applications in the scientific community, including cosmetics, chromatography, enhanced oil recovery, electrochemistry, nanoscience, polymer chemistry, and waste water treatment. This review aims to study about amphoteric surfactants, which have only one hydrophobic hydrocarbon tail and two oppositely charged hydrophilic headgroups connected with each other by a spacer group and its properties, applications in various academics and industrial fields.

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Insights About CHAPS Aggregation Obtained by Spin Label EPR Spectroscopy

Cited by 8 publications

References 23 publications

Structural Properties of CHAPS Micelles, Studied by Molecular Dynamics Simulations

Structural Properties of CHAPS Micelles, Studied by Molecular Dynamics Simulations

The Fluidity of Phosphocholine and Maltoside Micelles and the Effect of CHAPS

Properties and applications of amphoteric surfactant: A concise review

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