Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions

Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.

doi:10.1039/c9ce00476a

Cited by 7 publications

(23 citation statements)

References 51 publications

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“…The intermolecular interactions can be probed by variations in temperature and pressure (Boldyreva, 2009;Bogdanov et al, 2020;Katrusiak, 2019;Boldyreva & Dera, 2010;Boldyreva, 2018). This is true also for 'guanine-guanine', 'guanine-water', 'metal-guanine' and 'metal-water' interactions, as was illustrated for the sodium salt hydrate studied under variable-pressure conditions in a previous work (Gaydamaka et al, 2019). In this study we have compared the effect of temperature variations on the crystal structures of potassium and sodium salt hydrates.…”

Section: Effect Of Temperature Variation On the Crystal Structuresmentioning

confidence: 65%

“…The sodium salt (2Na + ÁC 5 H 3 N 5 O 2À Á7H 2 O) was crystallized by slow evaporation from aqueous solutions containing guanine (Sigma-Aldrich) and an excess amount of sodium hydroxide (pH $ 14) at room temperature as described by Gur & Shimon (2015) and Gaydamaka et al (2019). We tried to crystallize the potassium analog using the same technique, however, this did not work (the evaporation was very slow, large crystals of potassium carbonate formed after several weeks, while no guanine salt crystallized).…”

Section: Synthesis and Crystallizationmentioning

confidence: 99%

“…Acta Cryst. E71, 281-283; Gaydamaka et al (2019). CrystEngComm,21,[4484][4485][4486][4487][4488][4489][4490][4491][4492].…”

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“…The hydrates of guanine metal salts are of interest in this respect. In a previous study we explored the crystal structure of a sodium salt hydrate (2Na + ÁC 5 H 3 N 5 O 2À Á7H 2 O) and its response to hydrostatic compression (Gaydamaka et al, 2019). This work aimed to investigate the crystal structure of another alkaline metal guanine crystal hydrate, a potassium salt.…”

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confidence: 99%

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A new guaninate hydrate K⁺·C₅H₄N₅O⁻·H₂O: crystal structure from 100 to 300 K in a comparison with 2Na⁺·C₅H₃N₅O²⁻·7H₂O

Gaydamaka¹,

Arkhipov²,

Boldyreva³

2021

Acta Crystallogr B Struct Sci Cryst Eng Mater

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A new guanine salt hydrate, K+·C5H4N5O−·H2O, was obtained and characterized by single-crystal X-ray diffraction in the temperature range 100 K–300 K and compared with that of the previously documented sodium salt hydrate (2Na+·C5H3N5O2−·7H2O) [Gur & Shimon (2015). Acta Cryst. E71, 281–283; Gaydamaka et al. (2019). CrystEngComm, 21, 4484–4492]. Both sodium and potassium salt hydrates have channels. However, the structure of the channels, the cation coordination, the protonation (and, respectively, the charge) of the guanine anions, as well as the role of water molecules in the crystal structure are different for the two salt hydrates. In the crystal structures of the potassium salt, the guanine anions are linked via hydrogen bonds into quartets that form open cylindrical channels in a honeycomb framework. Water molecules `line the walls' of the channels, whereas the potassium cations fill the intra-channel space. This contrasts with the structure of the sodium salt hydrate in which guanine anions form channels with water molecules filling in the channel space together with sodium cations coordinating them. The 1D anionic assembly generated through numerous hydrogen bonds and cation interactions with guanine anions and water molecules is energetically the most distinctive part of the structure of the potassium salt hydrate. In the case of the guanine sodium salt, the structure contains purely inorganic polymeric fragments – sodium cations coordinated to a water molecule forming a 1D polymeric structure and guanine anions interconnecting these polymers via hydrogen bonds with water molecules. The structural differences account for the difference in the anisotropy of strain on temperature variation for the two salt hydrates: whereas in both structures the values of the bulk thermal expansion coefficients are similar in the two structures and the major expansion is observed along the channel axes, the degree of anisotropy for the K salt is more than four times higher than that for the Na salt.

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Section: Effect Of Temperature Variation On the Crystal Structuresmentioning

confidence: 65%

Section: Synthesis and Crystallizationmentioning

confidence: 99%

“…Acta Cryst. E71, 281-283; Gaydamaka et al (2019). CrystEngComm,21,[4484][4485][4486][4487][4488][4489][4490][4491][4492].…”

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confidence: 99%

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A new guaninate hydrate K⁺·C₅H₄N₅O⁻·H₂O: crystal structure from 100 to 300 K in a comparison with 2Na⁺·C₅H₃N₅O²⁻·7H₂O

Gaydamaka¹,

Arkhipov²,

Boldyreva³

2021

Acta Crystallogr B Struct Sci Cryst Eng Mater

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“…The low-frequency region in Raman spectra shows no phase transition in paraffin up to 2.9 GPa (close to pressure limit for paraffin) and some changes in LLHM crystal in PIP at 1.35 GPa (Figure 5). The high-frequency Raman region is not very informative, lacking -OH and -NH 3 vibrational modes information at high pressures [73,74]. Nevertheless, some changes in -CH x vibration modes confirm crystal changes in PIP in contrast to paraffin (full Raman spectra at all pressures are shown in Figure S3).…”

Section: High Pressure Studymentioning

confidence: 99%

Low Temperature and High-Pressure Study of Bending L-Leucinium Hydrogen Maleate Crystals

Skakunova

Rychkov

2021

Crystals

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The polymorphism of molecular crystals is a well-known phenomenon, resulting in modifications of physicochemical properties of solid phases. Low temperatures and high pressures are widely used to find phase transitions and quench new solid forms. In this study, L-Leucinium hydrogen maleate (LLHM), the first molecular crystal that preserves its anomalous plasticity at cryogenic temperatures, is studied at extreme conditions using Raman spectroscopy and optical microscopy. LLHM was cooled down to 11 K without any phase transition, while high pressure impact leads to perceptible changes in crystal structure in the interval of 0.0–1.35 GPa using pentane-isopentane media. Surprisingly, pressure transmitting media (PTM) play a significant role in the behavior of the LLHM system at extreme conditions—we did not find any phase change up to 3.05 GPa using paraffin as PTM. A phase transition of LLHM to amorphous form or solid–solid phase transition(s) that results in crystal fracture is reported at high pressures. LLHM stability at low temperatures suggests an alluring idea to prove LLHM preserves plasticity below 77 K.

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Organic acids under pressure: elastic properties, negative mechanical phenomena and pressure induced phase transitions in the lactic, maleic, succinic and citric acids

Colmenero

2020

Mater. Adv.

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Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions

Abstract: The crystal structure of a hydrate of the sodium salt of guanine (2Na+·C5H3N5O2−·7H2O) was studied at high pressure by single-crystal X-ray diffraction and Raman spectroscopy.

Cited by 7 publications

References 51 publications

A new guaninate hydrate K⁺·C₅H₄N₅O⁻·H₂O: crystal structure from 100 to 300 K in a comparison with 2Na⁺·C₅H₃N₅O²⁻·7H₂O

A new guaninate hydrate K⁺·C₅H₄N₅O⁻·H₂O: crystal structure from 100 to 300 K in a comparison with 2Na⁺·C₅H₃N₅O²⁻·7H₂O

Low Temperature and High-Pressure Study of Bending L-Leucinium Hydrogen Maleate Crystals

Organic acids under pressure: elastic properties, negative mechanical phenomena and pressure induced phase transitions in the lactic, maleic, succinic and citric acids

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Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions

Abstract: The crystal structure of a hydrate of the sodium salt of guanine (2Na+·C5H3N5O2−·7H2O) was studied at high pressure by single-crystal X-ray diffraction and Raman spectroscopy.

Cited by 7 publications

References 51 publications

A new guaninate hydrate K+·C5H4N5O−·H2O: crystal structure from 100 to 300 K in a comparison with 2Na+·C5H3N5O2−·7H2O

A new guaninate hydrate K+·C5H4N5O−·H2O: crystal structure from 100 to 300 K in a comparison with 2Na+·C5H3N5O2−·7H2O

Low Temperature and High-Pressure Study of Bending L-Leucinium Hydrogen Maleate Crystals

Organic acids under pressure: elastic properties, negative mechanical phenomena and pressure induced phase transitions in the lactic, maleic, succinic and citric acids

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Resources

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A new guaninate hydrate K⁺·C₅H₄N₅O⁻·H₂O: crystal structure from 100 to 300 K in a comparison with 2Na⁺·C₅H₃N₅O²⁻·7H₂O

A new guaninate hydrate K⁺·C₅H₄N₅O⁻·H₂O: crystal structure from 100 to 300 K in a comparison with 2Na⁺·C₅H₃N₅O²⁻·7H₂O