Lone pair–pi interactions in biological systems: occurrence,
function, and physical origin

J 2017

Lone pair–pi interactions in biological systems: occurrence, function, and physical origin

KOZELKA, Jiří

Basic information

Original name

Lone pair–pi interactions in biological systems: occurrence, function, and physical origin

Authors

KOZELKA, Jiří (250 France, guarantor, belonging to the institution)

Edition

European Biophysics Journal With Biophysics Letters, New York, Springer, 2017, 0175-7571

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10610 Biophysics

Country of publisher

United States of America

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 1.935

RIV identification code

RIV/00216224:14310/17:00095188

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1007/s00249-017-1210-1

UT WoS

000415817400005

Keywords in English

Donor-acceptor systems; pi interactions; Ab initio calculations; Lone pair-pi interactions; Anion-pi interactions; Energy decomposition analysis

Abstract

V originále

Review article that attempts to highlight some recent discoveries evidencing the important role which lone-pair–pi interactions, and anion–pi interactions in particular, play in stabilizing structure and affecting function of biomolecules. Special attention is paid to studies exploring the physical origin of these at first glance counterintuitive interactions between a lone-pair of electrons of one residue and the pi-cloud of another residue. Recent theoretical work went beyond the popular electrostatic model and inquired to which extent orbital interactions have to be taken into account. At least in one biologically relevant case- in that of anion-flavin interactions- a substantial charge-transfer component has been shown to operate.

Links

GA14-14654S, research and development project

Name: Studium fyzikální podstaty interakcí lone-pair-pi v biomolekulárních systémech. Role interakcí lone-pair-pi při stabilizaci proteinu Engrailed (Acronym: Lone-pair-pi interactions)

Investor: Czech Science Foundation

Citovat

KOZELKA, Jiří. Lone pair–pi interactions in biological systems: occurrence, function, and physical origin. European Biophysics Journal With Biophysics Letters. New York: Springer, 2017, vol. 46, No 8, p. 729-737. ISSN 0175-7571. Available from: https://dx.doi.org/10.1007/s00249-017-1210-1.

@article{1396132,
   author = {Kozelka, Jiří},
   article_location = {New York},
   article_number = {8},
   doi = {http://dx.doi.org/10.1007/s00249-017-1210-1},
   keywords = {Donor-acceptor systems; pi interactions; Ab initio calculations; Lone pair-pi interactions; Anion-pi interactions; Energy decomposition analysis},
   language = {eng},
   issn = {0175-7571},
   journal = {European Biophysics Journal With Biophysics Letters},
   title = {Lone pair–pi interactions in biological systems: occurrence, function, and physical origin},
   volume = {46},
   year = {2017}
}

TY  - JOUR
ID  - 1396132
AU  - Kozelka, Jiří
PY  - 2017
TI  - Lone pair–pi interactions in biological systems: occurrence, function, and physical origin
JF  - European Biophysics Journal With Biophysics Letters
VL  - 46
IS  - 8
SP  - 729-737
EP  - 729-737
PB  - Springer
SN  - 01757571
KW  - Donor-acceptor systems
KW  - pi interactions
KW  - Ab initio calculations
KW  - Lone pair-pi interactions
KW  - Anion-pi interactions
KW  - Energy decomposition analysis
N2  - Review article that attempts to highlight some recent discoveries evidencing the important role which lone-pair–pi interactions, and anion–pi interactions in particular, play in stabilizing structure and affecting function of biomolecules. Special attention is paid to studies exploring the physical origin of these at first glance counterintuitive interactions between a lone-pair of electrons of one residue and the pi-cloud of another residue. Recent theoretical work went beyond the popular electrostatic model and inquired to which extent orbital interactions have to be taken into account. At least in one biologically relevant case- in that of anion-flavin interactions- a substantial charge-transfer component has been shown to operate.
ER  -

KOZELKA, Jiří. Lone pair–pi interactions in biological systems: occurrence, function, and physical origin. \textit{European Biophysics Journal With Biophysics Letters}. New York: Springer, 2017, vol.~46, No~8, p.~729-737. ISSN~0175-7571. Available from: https://dx.doi.org/10.1007/s00249-017-1210-1.

Detailed Information on Publication Record