TY - JOUR

T1 - Effect of pressure on slit channels in guanine sodium salt hydrate

T2 - A link to nucleobase intermolecular interactions

AU - Gaydamaka, Anna A.

AU - Arkhipov, Sergey G.

AU - Zakharov, Boris A.

AU - Seryotkin, Yurii V.

AU - Boldyreva, Elena V.

N1 - Funding Information: This work was supported by the Ministry of Science and Higher Education of the Russian Federation (project AAAA-A19-119020890025-3). Publisher Copyright: © 2019 The Royal Society of Chemistry.

PY - 2019/8/14

Y1 - 2019/8/14

N2 - The crystal structure of a hydrate of the sodium salt of guanine (2Na+·C5H3N5O2-·7H2O) was studied using single-crystal X-ray diffraction and Raman spectroscopy up to ∼2.5 GPa, after which the structure distorted and the diffraction pattern from single crystal fragments disappeared along with the appearance of powder ring fragments. On increasing the pressure the distances between the double walls of the slit channels formed by the guanine moieties became more equal, with the longer one shortening and the shorter one expanding. The topology of the Na+-water intra-channel infinite clusters was preserved, although these clusters became distorted on compression. Among several types of OH⋯O and OH⋯N hydrogen bonds, only two practically did not change with increasing pressure, namely the bonds connecting the guanine walls to the intra-channel water molecules. A possible relationship to the interactions in the ion channels with the walls formed by the guanine species in biological systems is discussed.

AB - The crystal structure of a hydrate of the sodium salt of guanine (2Na+·C5H3N5O2-·7H2O) was studied using single-crystal X-ray diffraction and Raman spectroscopy up to ∼2.5 GPa, after which the structure distorted and the diffraction pattern from single crystal fragments disappeared along with the appearance of powder ring fragments. On increasing the pressure the distances between the double walls of the slit channels formed by the guanine moieties became more equal, with the longer one shortening and the shorter one expanding. The topology of the Na+-water intra-channel infinite clusters was preserved, although these clusters became distorted on compression. Among several types of OH⋯O and OH⋯N hydrogen bonds, only two practically did not change with increasing pressure, namely the bonds connecting the guanine walls to the intra-channel water molecules. A possible relationship to the interactions in the ion channels with the walls formed by the guanine species in biological systems is discussed.

KW - OXIDATIVE DNA-DAMAGE

KW - X-RAY-DIFFRACTION

KW - CRYSTAL-STRUCTURE

KW - PHASE-TRANSITIONS

KW - AMINO-ACIDS

KW - RAMAN

KW - VISUALIZATION

KW - NUCLEOSIDES

UR - http://www.scopus.com/inward/record.url?scp=85070073870&partnerID=8YFLogxK

U2 - 10.1039/c9ce00476a

DO - 10.1039/c9ce00476a

M3 - Article

AN - SCOPUS:85070073870

VL - 21

SP - 4484

EP - 4492

JO - CrystEngComm

JF - CrystEngComm

SN - 1466-8033

IS - 30

ER -