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

Základní údaje

Originální název

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

Autoři

KOZELKA, Jiří (250 Francie, garant, domácí)

Vydání

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

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10610 Biophysics

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Impakt faktor

Impact factor: 1.935

Kód RIV

RIV/00216224:14310/17:00095188

Organizační jednotka

Přírodovědecká fakulta

DOI

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

UT WoS

000415817400005

Klíčová slova anglicky

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

Štítky

NZ, rivok

Změněno: 6. 4. 2018 13:18, Ing. Nicole Zrilić

Anotace

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.

Návaznosti

GA14-14654S, projekt VaV

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

Investor: Grantová agentura ČR, Towards the physical basis of lone-pair-pi interactions. Do lone-pair-pi interactions stabilize the structure of the Engrailed homeodomain?

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, roč. 46, č. 8, s. 729-737. ISSN 0175-7571. Dostupné z: 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, roč.~46, č.~8, s.~729-737. ISSN~0175-7571. Dostupné z: https://dx.doi.org/10.1007/s00249-017-1210-1.

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