Why ice-binding type I antifreeze protein acts as a gas hydrate crystal inhibitor

Bagherzadeh, Sharareh; Alavi, Saman; Ripmeester, John A.; Englezos, Peter

doi:10.1039/c4cp05003g

Cited by 88 publications

(65 citation statements)

References 34 publications

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“…Biophysical Journal 109(8) 1698-1705 elucidate the mechanism by which KHIs bind to gas hydrates (29)(30)(31)(32)(33)39). Although some experimental results supported these computational studies, it is not clear if the applied simulation methods, conditions, and parameters were accurate enough to reveal the interaction complexities.…”

Section: Implications For the Rational Design Of Khismentioning

confidence: 99%

Structural Basis for the Inhibition of Gas Hydrates by α -Helical Antifreeze Proteins

Sun

Davies

Walker

2015

Biophysical Journal

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Kinetic hydrate inhibitors (KHIs) are used commercially to inhibit gas hydrate formation and growth in pipelines. However, improvement of these polymers has been constrained by the lack of verified molecular models. Since antifreeze proteins (AFPs) act as KHIs, we have used their solved x-ray crystallographic structures in molecular modeling to explore gas hydrate inhibition. The internal clathrate water network of the fish AFP Maxi, which extends to the protein's outer surface, is remarkably similar to the {100} planes of structure type II (sII) gas hydrate. The crystal structure of this water web has facilitated the construction of in silico models for Maxi and type I AFP binding to sII hydrates. Here, we have substantiated our models with experimental evidence of Maxi binding to the tetrahydrofuran sII model hydrate. Both in silico and experimental evidence support the absorbance-inhibition mechanism proposed for KHI binding to gas hydrates. Based on the Maxi crystal structure we suggest that the inhibitor adsorbs to the gas hydrate lattice through the same anchored clathrate water mechanism used to bind ice. These results will facilitate the rational design of a next generation of effective green KHIs for the petroleum industry to ensure safe and efficient hydrocarbon flow.

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Section: Implications For the Rational Design Of Khismentioning

confidence: 99%

Structural Basis for the Inhibition of Gas Hydrates by α -Helical Antifreeze Proteins

Sun

Davies

Walker

2015

Biophysical Journal

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“…They believed this ability distinguishes AFPs from synthetic KHIs (such as PVP and PVCap). Bagherzadeh et al (2015) studied the inhibition mechanism of the wf-AFP (a kind of AFPs originated from winter flounder) with molecular dynamics (MD) simulations. It was found that wf-AFP can adhere to the specific plane of CH 4 hydrate, then cover the hydrate surface and increase mass transfer resistance of CH 4 and H 2 O molecules.…”

Section: The Onset Nucleation Temperatures Of Ch 4 Hydratementioning

confidence: 99%

Inhibition of methane hydrate nucleation and growth by an antifreeze protein

Ramløv

Søgaard³

et al. 2019

Journal of Petroleum Science and Engineering

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This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.

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“…25,29 Use of low dosage hydrate inhibitors (LDHIs) provides a cost-effective means to prevent the formation and agglomeration of clathrate hydrates in pipelines. 25,30,31 LDHIs are broadly divided into two types, depending on their mode of action: kinetic hydrate inhibitors (KHIs) and antiagglomerants (AAs). KHIs delay the formation of clathrate hydrates long enough for safe transportation of oil without blockage under moderate supercooling conditions.…”

Section: Introductionmentioning

confidence: 99%

How Do Surfactants Control the Agglomeration of Clathrate Hydrates?

2019

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Clathrate hydrates can spontaneously form under typical conditions found in oil and gas pipelines. The agglomeration of clathrates into large solid masses plugs the pipelines, posing adverse safety, economic, and environmental threats. Surfactants are customarily used to prevent the aggregation of clathrate particles and their coalescence with water droplets. It is generally assumed that a large contact angle between the surfactant-covered clathrate and water is a key predictor of the antiagglomerant performance of the surfactant. Here we use molecular dynamic simulations to investigate the structure and dynamics of surfactant films at the clathrate–oil interface, and their impact on the contact angle and coalescence between water droplets and hydrate particles. In agreement with the experiments, the simulations predict that surfactant-covered clathrate–oil interfaces are oil wet but super-hydrophobic to water. Although the water contact angle determines the driving force for coalescence, we find that a large contact angle is not sufficient to predict good antiagglomerant performance of a surfactant. We conclude that the length of the surfactant molecules, the density of the interfacial film, and the strength of binding of its molecules to the clathrate surface are the main factors in preventing the coalescence and agglomeration of clathrate particles with water droplets in oil. Our analysis provides a molecular foundation to guide the molecular design of effective clathrate antiagglomerants.

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Why ice-binding type I antifreeze protein acts as a gas hydrate crystal inhibitor

Cited by 88 publications

References 34 publications

Structural Basis for the Inhibition of Gas Hydrates by α -Helical Antifreeze Proteins

Structural Basis for the Inhibition of Gas Hydrates by α -Helical Antifreeze Proteins

Inhibition of methane hydrate nucleation and growth by an antifreeze protein

How Do Surfactants Control the Agglomeration of Clathrate Hydrates?

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