Heavy-oxygen water

• CAS: 14314-42-2
• Catalog Number: ACM14314422
• Category: Main Products
• Molecular Weight: 20.02
• Molecular Formula: H₂O
• Synonyms: water-(18)o(normalized);WATER-18O;Water-18O ;DEUTERIUM OXIDE-18O (UNNORMALIZED WATER-;WATER-18O, NORMALIZED, 99 ATOM % 18O;WATER-(18)O (NORMALIZED)VIAL WITH 1 G;WATER-18O, 97 ATOM % 18O;WATER-18O, NORMALIZED, CA. 10 ATOM % 18O
• IUPAC Name: oxidane
• Canonical SMILES: O
• InChI Key: XLYOFNOQVPJJNP-NJFSPNSNSA-N
• Boiling Point: 100°C(lit.)
• Melting Point: 0°C(lit.)
• Density: 1.11g/mL at 20°C(lit.)
• Appearance: liquid
• Exact Mass: 20.01480

Case Study

Dielectric Relaxation Dynamics of Light Water, Heavy Water and Heavy Oxygen Water

Kutus, Bence, et al. Physical Chemistry Chemical Physics, 2021, 23(9), 5467-5473.

Isotope substitution has a great influence on the dielectric relaxation dynamics of hydrogen-bonded liquid water. This work studies the dielectric relaxation of light water (H₂¹⁶O), heavy water (D₂¹⁶O) and heavy oxygen water (H₂¹⁸O) in the temperature range of 278 to 338 K. Important conclusions include:
· Upon H/D exchange, it was observed a 20-35% increase in the corresponding relaxation time, while the substitution of ¹⁶O with ¹⁸O leads to a significantly smaller slow-down in dynamics, approximately 4-5%. When analyzing the thermal activation of relaxation using the extended Eyring theory, it can be found that the activation parameters for H₂¹⁶O and H₂¹⁸O are nearly identical.
· The increase in the relaxation time for H₂¹⁸O compared to H₂¹⁶O appears to be independent of temperature, indicating that the isotope effect is primarily influenced by classical mass effects that do not rely on temperature. The enhancement observed with ¹⁶O/¹⁸O substitution can be accurately described by the translational mass factor, even though the dipolar relaxation of water is inherently rotational, which would typically suggest that moments of inertia should dictate the relaxation time. The rise in relaxation time correlates with an increase in viscosity, implying that the deceleration of relaxation dynamics in H₂¹⁸O is driven by greater viscous friction.
· In contrast, the increase in relaxation time due to H/D exchange is significantly more pronounced and displays a strong dependence on temperature. Nonetheless, when scaling the relaxation times of D₂¹⁶O with the translational mass factor and adjusting for nuclear quantum effects with a corresponding temperature shift, these values align with those of H₂¹⁶O.

Effects of Deuterated Water and Heavy-Oxygen Water on Kinesin-1 Sliding Test

Maloney, Andy, et al. PeerJ, 2014, 2, e284.

This work studied the effects of deuterated water (²H₂O) and heavy-oxygen water (H₂¹⁸O) on the sliding speed of microtubules on kinesin-1 coated surfaces. It was found that an increase in the fraction of isotopic water used in the motility solution led to a decrease in the sliding speed of microtubules. These findings suggest that water isotopes appear to be an effective experimental knob for studying the effects of water on kinesin activity.
For each data point, several hundred microtubules were monitored at a stable temperature of 33.1 ± 0.1 °C. In the heavy-hydrogen water experiment, the calculated speed with 100% light water was 1016 ± 11 nm/s, whereas in the heavy-oxygen water experiment, it was recorded at 1007 ± 4 nm/s. An increase in either the heavy-hydrogen water buffer or the heavy-oxygen water buffer in the motility solution led to a linear decline in the estimated speed measurements.
At the highest concentration of the heavy-hydrogen water buffer tested, the estimated gliding speed dropped to 799 ± 8 nm/s, whereas the heavy-oxygen water buffer yielded a speed of 954 ± 16 nm/s. When compared to the light water buffer, the speed reduction for the heavy-hydrogen water was around 21%, and for the heavy-oxygen water, it was approximately 5%. This analysis also incorporates data from the deuterium-depleted light water buffer, which recorded a most probable speed of 1015 ± 4 nm/s.

Mechanism of action of proteases studied by heavy oxygen exchange

ANTONOV, Vladimir K., et al. European Journal of Biochemistry 117.1 (1981): 195-200.

Transpeptidation reactions catalyzed by chymotrypsin, protease, leucine aminopeptidase and thermophilin have been studied in heavy oxygen water. 18 O incorporation in the peptide bonds of the transpeptidation products and in non-hydrolyzed substrates has been measured. The rates of 18 O exchange in the carboxyl groups of N-acetylphenylalanine and leucine catalyzed by pepsin and leucine aminopeptidase, respectively, have also been determined. These rates have been compared with the rates of exchange in the presence of amino compounds, which reversibly form amide bonds with the above carboxyl-containing substances. The data obtained indicate that, in contrast to chymotrypsin, the other enzymes studied do not form acyl enzymes but rather act via a general base-catalyzed mechanism. The structures of the intermediate compounds in this type of catalysis and the mechanism of the transpeptidation reaction are discussed.
To obtain [l-18 O]leucine, L-leucine methyl ester was hydrolyzed in water containing 67% 18 O in the presence of 0.01 M NaOH. N-acetyl-L-phenylalanyl-L-tyrosine was obtained. Deuterated water containing 50-90% 18 O atoms was used. The enzyme was added to the substrate dissolved in an appropriate buffer prepared with deuterated water. The mixture was incubated and then the reaction was terminated by freezing at 70°C. Thereafter, the frozen mixture was lyophilized and the components were separated by one of the following methods: (A) paper chromatography in nBuOH/HWO/HCOOH (8:1:1); (B) paper electrophoresis in 0.1 M ammonium bicarbonate buffer (pH 8.15) at 70 V/cm for 3 hours; (C) by silica gel plate chromatography in methanol/ethyl acetate/NH3 (35:65:3), in all cases the bands corresponded to the transpeptidation products. The unhydrolyzed substrate was cut out and eluted with 0.1 M acetic acid.

Tandem mass spectrometry analysis of fucoidan-derived fragments labeled with deoxygenated water

Anastyuk, Stanislav D., et al. Carbohydrate research 455 (2018): 10-13.

In the experiments, autohydrolysis was employed in deoxygenated water. A mixture of labeled oligosaccharides of two structurally different fucoidans was successfully obtained. A procedure for partial depolymerization of sulfated fucoidan and selective labeling with 18O was developed. Tandem electrospray ionization mass spectrometry (ESI MS/MS) was used to directly analyze the structurally different oligosaccharide mixture from fucoidans of known structure. The presence of the label allowed clear distinction between the 0,2X0 type fragment ion at m/z 287 and the 2,4A type fragment ion at m/z 285, due to the +2 mass shift produced by 18O at the reducing end.
A dried sample of fucoidan (5 mg) was dissolved in 50 μL of deoxygenated water. An aliquot was then converted to the H+ form using a microcolumn (V=250 μL) filled with a cation exchange resin. The column was pre-filled with 0.1 N HCl and the elution volume was 0.5 mL deoxygenated water. The sample was kept at 37°C for 72 hours and then neutralized to pH 7.0 by adding dry ammonium bicarbonate. The pH of the sample during the reaction was approximately 1.9 - 2.1. The composition of the mixture was characterized by negative ion ESIMS and HPSEC. The data can be found in the Supplementary Materials section.

Custom Q&A

What is the molecular formula of heavy-oxygen water?

The molecular formula of heavy-oxygen water is H2O.

What are some synonyms of heavy-oxygen water?

Some synonyms of heavy-oxygen water are Water-18O, Oxygen-18, Water O-18.

What is the molecular weight of heavy-oxygen water?

The molecular weight of heavy-oxygen water is 20.015 g/mol.

When was heavy-oxygen water created?

Heavy-oxygen water was created on August 8, 2005.

What is the IUPAC name of heavy-oxygen water?

The IUPAC name of heavy-oxygen water is oxidane.

What is the InChI of heavy-oxygen water?

The InChI of heavy-oxygen water is InChI=1S/H2O/h1H2/i1+2.

What is the InChIKey of heavy-oxygen water?

The InChIKey of heavy-oxygen water is XLYOFNOQVPJJNP-NJFSPNSNSA-N.

What is the CAS number of heavy-oxygen water?

The CAS number of heavy-oxygen water is 14314-42-2.

What is the UNII of heavy-oxygen water?

The UNII of heavy-oxygen water is 7QV8F8BYNJ.

What is the molecular weight of heavy-oxygen water in terms of Computed Properties?

The molecular weight of heavy-oxygen water is 20.015 g/mol (computed by PubChem 2.1).