Modeling Lung Surfactant Interactions with Benzo[a]pyrene

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F17%3A00506650" target="_blank" >RIV/61388955:_____/17:00506650 - isvavai.cz</a>

Result on the web

<a href="http://hdl.handle.net/11104/0297855" target="_blank" >http://hdl.handle.net/11104/0297855</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/chem.201605945" target="_blank" >10.1002/chem.201605945</a>

Result language

angličtina

Original language name

Modeling Lung Surfactant Interactions with Benzo[a]pyrene

Original language description

By reducing the surface tension of the air-water interface in alveoli, lung surfactant (LS) is crucial for proper functioning of the lungs. It also forms the first barrier against inhaled pathogens. In this study we inspect the interactions of LS models with a dangerous air pollutant, benzo[a] pyrene (BaP). Dipalmitoylphosphatidylcholine (DPPC), 1-palmitoyl-2-oleoylphosphatidylcholine, and their 1: 1 mixture are used as LS models. Pressure-area isotherms are employed to study macroscopic properties of the monolayers. We find that addition of BaP has a condensing effect, manifested by lowering the values of surface pressure and shifting the isotherms to smaller areas. Atomistic details of this process are examined by means of molecular dynamics simulations. We show that initially BaP molecules are accumulated in the monolayers. Upon compression, they are forced to the headgroups region and eventually expelled to the subphase. BaP presence results in reduction of monolayer hydration in the hydrophilic region. In the hydrophobic region it induces increased chain ordering, reduction of monolayer fluidity, and advances transition to the liquid condensed phase in the DPPC system.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GA17-06792S" target="_blank" >GA17-06792S: Lung surfactant under oxidative stress: molecular dynamics simulations and Langmuir film experiments</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Chemistry - A European Journal

ISSN

0947-6539

e-ISSN

—

Volume of the periodical

23

Issue of the periodical within the volume

22

Country of publishing house

DE - GERMANY

Number of pages

10

Pages from-to

5307-5316

UT code for WoS article

000399982000018

EID of the result in the Scopus database

2-s2.0-85016720147