AQUASOL

Uniformly labeled C-8-D with a specific activity of 2.99 juc/mg was administered orally to pregnant females at 2 /xg/kg/day from 6-15 days of gestation. Three females were sacrificed on alternate days during days 6-20 of pregnancy. Triplicate samples of fetus, placenta, blood, brain, abdominal fat, and sartorius muscle were procured from each female. The samples were dissolved in 1 ml of Soluene (Packard Instruments) to which 15 ml of Aquasol were added. Each sample vial was counted for 30 min in a Nuclear Chicago Mark I liquid scintillation counter. 

Refinement of a QSPR model requires experimental solubilities to train the model. Several models have used the dataset of Huuskonen [44] who sourced experimental data from the AQUASOL [45] and PHYSPROP [46] databases. The original set had a small number of duplicates, which have been removed in most subsequent studies using this dataset, leaving 1290 compounds. When combined, the log Sw... 

Yalkowsky, S. H. Dannenfelser, R.-M. (eds.), AQUASOL dATAbASE of Aqueous Solubility, 5th ed., College of Pharmacy, Univ. Arizona, Tucson, 1998. 

Brand Name(s) Aqua Gem E, Aquasol E, E-Gems, Key-E, Key-E Kaps Chemical Class NUTR-vitamin, fat soluble... 

Large databases on aqueous solubility exist, such as AQUASOL dATAbASE (http //www.pharmacy.arizona.edu/outreach/aquasol/), which contains almost 20,000 solubility records for almost 6,000 compounds, or the already mentioned PhysProp. However, not all situations are covered and the ability to predict this property is still useful. This remark has favoured the development of numerous mathematical models and much prediction software [46]. 

The most critically reviewed solubility data are those in the IUPAC Solubility Data series (1984, 1985, 1989a, 1989b). Other sources include the Handbooks by Howard et al. (1989, 1990,1991,1993), Mackay et al. (1997), and Verschueren (1996) and the papers and texts by Horvath (1973,1975,1982) and Yalkowsky and Bannerjee (1992). Commercial databases are also available from a variety of sources, e.g., the AQUASOL database of Yalkowsky and Dannenfelser (1991). 

Yalkowsky, Myrdal, and co-workers have developed the AQUAFAC group contribution method which predicts the molar activity coefficient ym from which the molar solubility S can be deduced, using supplemental information on the fugacity ratio F (Myrdal et al., 1992,1993,1995). The method exploits the AQUASOL database described by Dannenfelser and Yalkowsky (1991) and Yalkowsky and Dannenfelser (1991). The fugacity ratio (which is termed the "ideal solubility" in their publication) is expressed as... 

Yalkowsky, S.H. and R.-M. Dannenfelser. 1991. AQUASOL DATABASE of Aqueous Solubility, 5th edition. University of Arizona, Tucson, AZ. 

Aquasol Database (1994) Aquasol Database. 5th Edition, Yalkowsky, S.H., Dannenfelzer, R.M., Editors, University of Arizona, Arizona. 

Aquasol, and the Bio-solve series are sold commercially for this purpose. 

Proprietary Names. Aquasol E Ephynal Evion Tocomine Tokols y) Vita-E d). 

Aprobarbitone sodium, 359 Apronal, 359 Apronalide, 359 Apsifen, 677 Apsin VK, 888 Apsolol, 936 Apsolox, 839 Aptin(e), 332 Apurin, 327 Aquacaine G, 926 Aquacare, 1058 Aquachloral, 441 Aquacide, 564 Aquacillin, 926 Aquadrate, 1058 Aquamephyton, 901 Aquamox, 952 Aquasol E, 329 Aquatag, 387 Aquatensen, 761 Aquocobalamin chloride, 670 Aquocobalamin sulphate, 670 Arabian Tea, 437 Ai-abinosylcytosine, 506 Ara-C, 506 Aracytin(e), 506... 

The largest commercially available datasets are the Physical Properties (PHYSPROP) and AQUASOL databases ca. 6000 compounds in each database). The AQUASOL database has been published as a book. Furthermore, two relatively large sets of aqueous solubility data models were used in many other studies.Data from the AQUASOL database had an interlaboratory variation of about a = 0.49 log-units (as estimated for A=1031 molecules).Moreover, large inter-laboratory errors mask the influence of temperature, and differences as large as AT = 30 °C do not increase this error. In-house models developed at pharmaceutical companies could be based on similar or even larger numbers of measurements. For example, about 5000 molecules were used to develop a model at Bayer Healthcare AG. " ... 

Polyoxyethylated fatty acid 2 7-12% w/v AquaMephyton (Merck) 7% w/v Aquasol A parenteral (Astra) 12%... 

Vitamin A, U5P. Vitamin A (Aquasol A) contains retinol (vitamin A alcohol) or its esters from edible fatty acids (chiefly acetic and palmitic acids), whose activity is not less than 9S% of the labeled amount a dosage of 0..T yrg of vitamin A alcohol (retinol) equals I USP unit. 

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