Hydrophobic aggregation and collective absorption of dioxin into lipid membranes: insights from atomistic simulations

Literature Information

Publication Date 2014-12-05
DOI 10.1039/C4CP05466K
Impact Factor 3.676
Authors

M. Casalegno, G. Raos, G. Sello


View Original

Abstract

Dioxins are a highly toxic class of chlorinated aromatic chemicals. They have been extensively studied, but several molecular-level details of their action are still missing. Here we present molecular dynamics simulations of their absorption and diffusion through cell membranes. We show that, due to their hydrophobic character, dioxins can quickly penetrate into a lipid membrane, both as single molecules and as aggregates. We find clear evidence for their ability to accumulate in cell membranes. Our free energy calculations indicate that subsequent transport into the cell is unlikely to be a simple diffusive process.

Related Literature

Proton conductivity in mixed-conducting BSFZ perovskite from thermogravimetric relaxation

Daniel Poetzsch, Rotraut Merkle, Joachim Maier

2014-06-16 Paper

DOI: 10.1039/C4CP00459K

Inside front cover

Cover

DOI: 10.1039/C4CP90024C

Near-threshold photodissociation dynamics of CHCl3

2014-01-27 Paper

DOI: 10.1039/C3CP55348E

Role of supramolecular synthons in the formation of the supramolecular architecture of molecular crystals revisited from an energetic viewpoint

Roman I. Zubatyuk, Svitlana V. Shishkina, Viktoriya V. Dyakonenko, Volodymyr V. Medviediev

2014-01-22 Paper

DOI: 10.1039/C3CP55390F

A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra

Sandro Jurinovich, Gennaro Pescitelli, Lorenzo Di Bari, Benedetta Mennucci

2014-02-10 Paper

DOI: 10.1039/C3CP55428G

Ordered mesoporous carbons obtained by a simple soft template method as sulfur immobilizers for lithium–sulfur cells

Noelia Moreno, Alvaro Caballero, Lourdes Hernán, Julián Morales, Jesús Canales-Vázquez

2014-07-03 Paper

DOI: 10.1039/C4CP02829E

A computational study on the complexation of Np(v) with N,N,N′,N′-tetramethyl-3-oxa-glutaramide (TMOGA) and its carboxylate analogs

Xia Yang, Jiali Liao, Ning Liu, Yuanyou Yang, Dongqi Wang

2014-05-28 Paper

DOI: 10.1039/C4CP01381F

Magnetic edge-states in nanographene, HNO3-doped nanographene and its residue compounds of nanographene-based nanoporous carbon

Si-Jia Hao, V. L. Joseph Joly, Satoshi Kaneko, Jun-ichi Takashiro, Kazuyuki Takai, Hitoshi Hayashi, Toshiaki Enoki, Manabu Kiguchi

2014-02-07 Paper

DOI: 10.1039/C4CP00199K

Photodissociation dynamics of propargylene, HCCCH

Jens Giegerich, Jens Petersen, Roland Mitrić, Ingo Fischer

2014-02-07 Paper

DOI: 10.1039/C3CP53213E

Chemical etching behaviors of semipolar (112) and nonpolar (110) gallium nitride films

Younghun Jung, Kwang Hyeon Baik, Michael A. Mastro, Jennifer K. Hite, Charles R. Eddy, Jr., Jihyun Kim

2014-06-09 Communication

DOI: 10.1039/C4CP02303J

You might also like

Compound Q&A

What are the main uses of (5-Sulfamoyl-3-pyridinyl)boronic acid (CAS: 951233-61-7)?

(5-Sulfamoyl-3-pyridinyl)boronic acid is primarily used in chemical synthesis, p...

951233-61-7(5-Sulfamoyl-3-pyrid...
Compound Q&A

How is Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate (CAS: 1942858-50-5) typically synthesized?

Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate is typically synthesized via est...

1942858-50-5Benzyl 2-methyl-2-(m...
Compound Q&A

What precautions should be taken when handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0)?

When handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0), it is important to use p...

209353-22-08-Fluoroquinolin-6-o...
Compound Q&A

What are the physical and chemical properties of 1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2)?

1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2) is a crystalline c...

129316-09-21,3-Dibromo-5-(2-met...
Compound Q&A

What industries use Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 174726-87-5)?

Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carbox...

174726-87-5Ethyl 7-chloro-4-oxo...
Compound Q&A

What precautions should be taken when handling Delta-7-Avenasterol (CAS: 23290-26-8)?

When handling Delta-7-Avenasterol (CAS: 23290-26-8), it is important to wear app...

23290-26-8Delta-7-Avenasterol
872992-20-6N-({(5R)-3-[3-Fluoro...
Compound Q&A

What precautions should be taken when handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylate (CAS: 79099-00-6)?

When handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylat...

79099-00-62-Methyl-2-propanyl ...
Compound Q&A

What is N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7)?

N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7) is a organic compou...

65542-24-7N-Methyl-4-chloroben...
Compound Q&A

Is [2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) safe?

[2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) is generally considered safe...

27306-90-7[2-(Dodecyloxy)ethox...

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.