Determination of mean and Gaussian curvatures of highly curved asymmetric lipid bilayers: the case study of the influence of cholesterol on the membrane shape

Literature Information

Publication Date 2014-07-01
DOI 10.1039/C4CP01544D
Impact Factor 3.676
Authors

S. O. Yesylevskyy, C. Ramseyer


View Original

Abstract

Although molecular dynamics simulations of highly curved lipid bilayers have become increasingly popular in recent years, there is no simple and general method of computing the shape and curvature of the bilayer, which is bent arbitrarily in three dimensions. In this work we propose a method, which allows computing local normal, mean and Gaussian curvatures at any point of an arbitrarily curved lipid membrane using molecular dynamics trajectories. The method is based on the analysis of local membrane patches and is applicable to the membranes of any shape and topology – bilayers, vesicles, micelles, bicelles, etc. The method is applied to a highly curved asymmetric DOPC/DOPS lipid bilayer simulated by means of extended coarse-grained molecular dynamics simulations. It is shown that addition of cholesterol makes the membrane more topologically heterogeneous by increasing the content of highly curved regions with either saddle-like or sphere-like topology. The topology of the DOPS lipid domains is more sensitive to the addition of cholesterol than DOPC domains.

Related Literature

Front cover

Cover

DOI: 10.1039/C9OB90063B

A computational study on the identity of the active catalyst structure for Ru(ii) carboxylate assisted C–H activation in acetonitrile

Claire L. McMullin, Nasir A. Rajabi, James S. Hammerton

2019-06-25 Paper

DOI: 10.1039/C9OB01092K

Preparation of a large-sized highly flexible carbon nanohoop

Yuta Nakagawa, Ryuta Sekiguchi, Jun Kawakami, Shunji Ito

2019-06-19 Paper

DOI: 10.1039/C9OB00763F

The disruption of verM activates the production of gliocladiosin A and B in Clonostachys rogersoniana

Yuanyuan Pan, Xingzhong Liu, Yongsheng Che

2019-06-28 Communication

DOI: 10.1039/C9OB01102A

Correction: Enantiomeric NMR discrimination of carboxylic acids using actinomycin D as a chiral solvating agent

Liwen Bai, Pian Chen, Jiangxia Xiang, Jiarui Sun, Xinxiang Lei

2019-03-28 Correction

DOI: 10.1039/C9OB90055A

Selective synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine

Zhenzhen Zhan, Haojie Ma, Xinfeng Cui, Pengbo Jiang, Jinghong Pu, Yixin Zhang, Guosheng Huang

2019-04-24 Paper

DOI: 10.1039/C9OB00531E

Stereoselective functionalization of platensimycin and platencin by sulfa-Michael/aldol reactions

Lin Qiu, Zhongqing Wen, Yuling Li, Kai Tian, Youchao Deng

2019-02-21 Paper

DOI: 10.1039/C9OB00324J

Contents list

Front/Back Matter

DOI: 10.1039/C9OB90115A

Mechanistic investigation and further optimization of the aqueous Glaser−Hay bioconjugation

Christopher R. Travis, Lauren E. Mazur, Emily M. Peairs, Gillian H. Gaunt, Douglas D. Young

2019-03-06 Paper

DOI: 10.1039/C9OB00327D

Late-stage C–H amination of abietane diterpenoids

Alejandro Dana, Pablo H. Di Chenna, Benjamin Darses, Fernando J. Durán, Philippe Dauban

2019-03-22 Paper

DOI: 10.1039/C9OB00272C

You might also like

Compound Q&A

What are the main uses of (3.beta.)-3-Hydroxy-N,N-dimethyl-chol-5-en-24-amide (CAS: 79066-03-8)?

(3.beta.)-3-Hydroxy-N,N-dimethyl-chol-5-en-24-amide (CAS: 79066-03-8) is primari...

79066-03-8(3.beta.)-3-Hydroxy-...
Compound Q&A

What regulatory guidelines apply to 5-(aminomethyl)-2-methoxyphenol (CAS: 89702-89-6)?

5-(Aminomethyl)-2-methoxyphenol (CAS: 89702-89-6) is classified under GHS as a s...

89702-89-65-(aminomethyl)-2-me...
Compound Q&A

What is Thieno[2,3-c]pyridin-7(6H)-one (CAS: 28981-13-7)?

Thieno[2,3-c]pyridin-7(6H)-one (CAS: 28981-13-7) is a heterocyclic organic compo...

28981-13-7Thieno[2,3-c]pyridin...
Compound Q&A

Is 1-[(6-Methoxy-3-pyridinyl)methyl]-4-piperidinamine dihydrochloride (CAS: 1185311-28-7) safe?

1-[(6-Methoxy-3-pyridinyl)methyl]-4-piperidinamine dihydrochloride is generally ...

1185311-28-71-[(6-Methoxy-3-pyri...
Compound Q&A

What regulatory guidelines apply to [(2E)-3-Phenyl-2-propen-1-yl]phosphonic acid (CAS: 146404-58-2)?

[(2E)-3-Phenyl-2-propen-1-yl]phosphonic acid (CAS: 146404-58-2) is regulated und...

146404-58-2[(2E)-3-Phenyl-2-pro...
Compound Q&A

What regulatory guidelines apply to 6-Bromo-7-methoxyquinoline (CAS: 1620515-86-7)?

6-Bromo-7-methoxyquinoline (CAS: 1620515-86-7) falls under the scope of the Glob...

1620515-86-76-Bromo-7-methoxyqui...
Compound Q&A

What industries use (2R)-1-(1-Benzofuran-2-yl)-N-propyl-2-pentanamine (CAS: 260550-89-8)?

This compound is primarily used in the pharmaceutical industry for the developme...

260550-89-8(2R)-1-(1-Benzofuran...
1228013-15-71-Ethyl-7-[2-methyl-...
Compound Q&A

Are there alternatives to {5-(Acryloylamino)-2-[(dimethylamino)methyl]phenyl}boronic acid (CAS: 1217500-78-1) in synthesis?

Alternative reagents such as 2-[(dimethylamino)methyl]phenylboronic acid or rela...

1217500-78-1{5-(Acryloylamino)-2...
Compound Q&A

What is 3-(Piperidin-4-yloxy)pyridine (CAS: 310881-48-2)?

3-(Piperidin-4-yloxy)pyridine (CAS: 310881-48-2) is an organic compound with the...

310881-48-23-(Piperidin-4-yloxy...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.