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Water-18O, as known as Heavy oxygen water, CAS 14314-42-2, The molecular formula H2O is a chemical substance. Also known as oxygen 18 water. Compounds with natural abundance of hydrogen and 100% 18O. Molecular weight 20.01496. Boiling point 100.13 ℃, melting point 0.28 ℃. The temperature at 25 ℃ with a density of 1.10935g/cm3 and a maximum density of 1.11253/cm3 is 4.305 ℃. Colorless, odorless, and tasteless liquid. Some physical properties are slightly different from ordinary water. The liquid vapor pressure ratio is. Distillation with water NO is produced by low-temperature distillation and oxygen low-temperature distillation methods. Mainly used as tracer in scientific research fields such as chemistry, biology, medicine, agriculture, geology, etc. Artificial calibration samples can also be prepared with isotopically pure H216O. Used for preparing the positron emission tomography drug SF-FDG, which is essential for positron emission tomography technology. The synthesis process of SF-FDG is achieved by bombarding oxygen-18 in heavy oxygen water with a medical cyclotron to obtain fluorine-18 ions, which are then reacted with non radioactive materials through nucleophilic substitution reaction.
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Chemical Formula |
H218O |
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Exact Mass |
20 |
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Molecular Weight |
20 |
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m/z |
20 (100.0%) |
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Elemental Analysis |
H, 10.07; O, 89.93 |
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Currently, Water-18O is mainly produced through the oxidation-reduction reaction of H2 and 02 under the action of precious metal catalysts. Among them, 02 is produced by electrolyzing double standard water (D2O), which is obtained by distilling natural water. Patents eNloo342955e and CN101618857B disclose a method for obtaining heavy oxygen water from natural water through distillation, electrolysis, and catalytic reactions. The main feature of this method is the use of platinum wire mesh or precious metal catalysts such as catalysts.
A device and method for preparing heavy oxygen water using H2 and 1802 as raw materials:
Specifically, it refers to an apparatus and method for preparing H2180 (heavy oxygen water) by plasma free radical reaction of a mixture of H2 and 1802 under catalyst free conditions. The device consists of five parts: plasma reactor, gas flow control, plasma power supply, cooling water circulation device, and gas chromatograph for detecting exhaust gas. Among them, the plasma reactor made of materials such as quartz and hard glass is the core of the device. Heavy oxygen water can be directly obtained from a mixture of H2-1802 with a concentration of 1-5 mol% using 18O2 as the raw material. The device is simple and easy to operate, and the obtained heavy oxygen water does not contain other impurities and can be directly utilized.
A device for preparing heavy oxygen water using H2 and 1802 as raw materials, comprising a plasma reactor, gas flow control, plasma power supply, cooling water circulation device, and a gas chromatograph for detecting exhaust gas composition; Its characteristic is that the plasma reactor consists of three parts, namely the discharge reaction tube, the condenser tube, and the heavy oxygen water collection tank;
The discharge reaction tube is a tubular sleeve structure, with the main body processed from quartz glass tubes with an outer diameter of 8-15mm. The central electrode uses a metal rod with an outer diameter of 2-4mm, and the grounding electrode uses a metal sleeve tightly attached to the quartz glass tube; The condenser tube is made of hard glass processing, and the inner tube adopts a spiral structure to increase the contact area between the reaction gas and the cooling circulating water. The outer part of the spiral tube is surrounded by a glass sleeve and filled with cooling circulating water.
The lower part of the condenser tube has a cooling circulating water inlet, and the upper part has a cooling circulating water outlet;
The heavy oxygen water collection tank is also made of hard glass processing. There is a sampling port at the lower end of the collection tank, which is controlled by a sampling valve. There is a tail gas outlet at the upper end of the collection tank;
Gas flow control uses mass flow meters to control the flow rates of H2 and 1802 separately, and then mixes them evenly into the plasma reactor through a mixer;
The plasma power supply adopts an AC high-voltage power supply, with the high-voltage line connected to the metal high-voltage electrode at the center of the reactor, and the grounding line connected to the metal grounding electrode outside the reactor. The discharge power in the reactor is controlled by adjusting the voltage;
The cooling water circulation device adopts a low-temperature cooling circulation pump to control the temperature and flow rate of the cooling water;
The gas chromatograph used to detect the composition of exhaust gas adopts a 5A molecular sieve column to check whether the 1802 reaction is complete.
Method for synthesizing isotope labeled compounds using Water-18O
Isotope labeled compounds can play an important role in studying reaction mechanisms and other aspects. In order to understand the breaking and formation of specific chemical bonds in reactions, compounds labeled at specific positions can be used. Research on its synthesis has also been extensively conducted.
The oxygen present in nature is mainly O-16, and also contains the stable isotope O-18. Enrichment of isotopic oxygen in natural products can yield products rich in O-18, typically stored in the form of heavy oxygen water H182O. The preparation of organic compounds labeled with O-18 can be achieved by introducing O-18 from heavy oxygenated water as a raw material.
For most isotopes, compounds substituted with isotopes have no significant difference in thermodynamic and kinetic properties from natural products. The synthesis of stable isotope substituted compounds can follow the same principles and methods as natural component compounds, but their characteristics must still be taken into account. Due to the high cost of labeling compounds, it is necessary to pay attention to conserving raw materials and selecting appropriate preparation reactions and operating methods. In the ordinary synthesis process, in order to promote the equilibrium shift of certain hydrolysis reactions and increase yield, excess water is often added or water is used as a solvent. When preparing labeled compounds, this method cannot be used, and an easy to carry out hydrolysis reaction should be selected.
The hydrolysis reactions commonly used in the synthesis of isotope O-18 labeled compounds are the hydrolysis reactions of nitriles, acid halides, esters, imines, etc. Sometimes, better results can also be achieved through isotope exchange reactions.
Heavy oxygen water device
The first 100 kg/year heavy oxygen water (oxygen-18) production facility in China has completed civil engineering at the Jinshan Industrial Base in Shanghai. The device mainly consists of a series of high-efficiency separation towers, which were put into operation in March 2007. It will fill the gap in the industrialization of heavy oxygen water in China and completely end the history of relying entirely on imports for this product.
Water-18O is a high value-added product that can be widely used in high-end research fields such as chemical reaction mechanisms, life sciences, pharmaceutical research, and nuclear medicine. It is reported that the production of heavy oxygen water is based on natural water as raw material, which usually contains 0.2% heavy oxygen water. However, to extract this extremely low content of heavy oxygen water, efficient separation technology and equipment are required, which is extremely difficult. In the past, only the United States, Russia, and Israel were able to produce such products in the world.
The production technology of this heavy oxygen water device comes from Shanghai Chemical Research Institute. Shanghai Research Institute of Chemical Industry has been engaged in the separation of oxygen-18 in natural water since 2002. After more than 3 years of research and development, it has produced high-purity heavy oxygen water with a content of about 98%. Through clinical trials, it has been proven that the product quality meets international standards and can completely replace imported foreign products, with production costs lower than similar foreign products.
In the international market, the selling price per gram of oxygenated water is 90-120 US dollars, while in the domestic market, the selling price is over 1000 yuan per gram. The current global demand for high-purity heavy oxygen water is about 600 kilograms per year, and it is increasing at an average annual rate of 20% to 30%; The current annual demand in China is about 10 kilograms, and it is expected that the domestic demand will exceed 50 kilograms by 2010. Therefore, after the 100 kg/year device is put into operation, a large part of China's products will be exported to the international market.
adverse reaction
Water-18O (heavy oxygen water) is a water molecule labeled with oxygen-18 isotopes, and its chemical properties are highly similar to ordinary water (H ₂ O), but due to isotopic effects, its physical properties (such as density and boiling point) have slight differences. According to existing research, Water-18O has not been classified as a hazardous substance for research and development purposes, but its potential health effects need to be comprehensively evaluated based on exposure pathways, doses, and individual sensitivity.
Acute toxicity: High doses may cause local irritation, but the risk of mortality is extremely low
The oral median lethal dose (LD ₅₀) for rats is greater than 90000 mg/kg, indicating that only extremely high oral doses (equivalent to 9% of body weight) may pose a lethal risk.
In actual research and development, Water-18O is often used for micro labeling or tracing, with extremely low oral exposure, so the risk of acute poisoning can be ignored.
Injection exposure
The intraperitoneal injection of LD ₅₀ in mice was 190 mg/kg, and the intravenous injection of LD ₅₀ was 25 mg/kg, indicating that high-dose injection may cause acute toxicity reactions (such as hemolysis and organ damage).
Clinical relevance: In PET-CT imaging, Water-18O is used as a precursor to synthesize ¹⁸ F-FDG (fluorodeoxyglucose), but the radioactivity of oxygen-18 in the final drug has been replaced by fluorine-18, so patients receive extremely low doses of Water-18O and there is no risk of acute toxicity.
Inhalation or skin contact may cause respiratory or skin irritation, but existing data does not specify a specific threshold.
Operation suggestion: Handle liquid samples in a fume hood, wear protective gloves (such as nitrile rubber gloves) and goggles, and avoid direct contact.
Long term exposure risk: lack of systematic research, attention needs to be paid to potential cumulative effects
Chronic toxicity data missing
At present, there are no long-term animal experiments or epidemiological studies evaluating the chronic toxicity (such as carcinogenicity and reproductive toxicity) of Water-18O.
Isotope effect hypothesis: Oxy-18 is a stable isotope that does not undergo radioactive decay, so its long-term risk may be lower than that of radioactive isotopes (such as ¹⁸ F), but caution should still be exercised about the effects of high-dose cumulative exposure on the metabolic system.
Metabolic and excretion pathways
Water-18O is excreted from the body through normal metabolic pathways such as respiration and urination, with a half-life similar to that of regular water (approximately several hours to several days).
Key assumption: Long term high-dose intake (such as water replacement) may disrupt the oxygen isotope balance in the body, but such scenarios are extremely rare in actual research and development.
Special purpose risk
DNA Stable Isotope Detection (SIP): In environmental microbiology research, Water-18O is used to track microbial metabolic activity, but the sample size is extremely small (micro upgrade), and there is no significant risk to operators.
Nuclear medicine synthesis: In the preparation of ¹⁸ F-FDG, Water-18O is only used as the target material, and in the final product, oxygen-18 is replaced by fluorine-18, so there is no long-term exposure risk for patients and medical staff.
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