Caffeine main properties

Gupuacu is an Amazonian forest tree from Para state, Brazil. The fruits are 15-25 cm in length, 10-12 cm in diameter, and weigh between 0.8 and 2 kg. They are oblong fruits with a hard skin. The seeds contain caffeine and theobromine, alkaloids with stimulant properties. The seeds contain about 48% of a white fat similar to cocoa butter. The creamy-white pulp has an attractive and characteristic aroma and flavour. The fruits are consumed mainly as juice. 

Such processes require a high selectivity for the substances to be removed, in order to maintain the flavour, appearance, smell, and shape of the treated feed material which represents the main product. Because CO2 has selective solubility properties, which can be altered to some extent, its use may often be feasible. By-products, such as caffeine can - if recovered - improve the economics. 

Methylxanthine is the major purine constituent of human urine (3.1 g in 10001) (1898ZPC(24)364). 3- and 7-Methylpurines are also minor constituents of urine, especially following large doses of caffeine or other methylated xanthines. 1,3-Dimethylxanthine (theophylline) occurs with caffeine in tea leaves and is a powerful diuretic and has been used clinically for this purpose (generally as an adduct with salts of organic acids) and also in the treatment of asthma. 1,7-Dimethylxanthine (paraxanthine) is also an efficient diuretic and, in addition, possesses antithyroid properties (45JCS751). The main purine constituent... 

The most common source of these xanthines is in the beverages coffee, tea, and cocoa, which are universally consumed mainly for their stimulant properties. A cup of coffee or tea contains between 60 and 85 mg of caffeine, and a cup of cocoa can have as much as 250 mg of theobromine. Caffeine frequently is added to cola drinks as well as to over-the-counter analgesics and stimulants. Theophylline is used for its bronchodilating effects in the treatment of asthma. Its importance has declined greatly since the development of the inhaled P2-adrenergic agonists and inhaled steroids and because its narrow therapeutic window requires close patient monitoring and periodic blood level determination to avoid serious side effects. 

Theobromine (3,7-dimethylxanthine, 3,7-dihydro-3,7-dimethyl-lW-purine-2,6-dione). C7H,N402, Mr 180.17 formula, see under theophylline. Monoclinic, bitter tasting needles, mp. 357 °C, sublimes at 290-295 °C, soluble in hot water, alkali hydroxides, concentrated acids, moderately soluble in ammonia, poorly soluble in cold water and alcohol. With acids T. forms salts which decompose in water detection by the murexid reaction. T. is the main alkaloid of cocoa (Theobroma cacao, 1.5-3 wt.-%), from which it is obtained - especially from the husks in which it accumulates during fermentation. The typical bitter taste of cocoa is the result of interactions between T. and the pip-erazinediones formed in the roasting process. T. has diuretic, vasodilatory, and stimulating effects on cardiac muscle. The activities are weaker than those of the structurally related caffeine (a methylation product of T.) with which it co-occurs in cola nuts. For further pharmacological properties, see table under theophylline. 

Xanthine derivatives have a number of pharmacological properties in common. Five major actions are observed (1) central nervous system and respiratory stimulation, (2) skeletal muscle stimulation, (3) diuresis, (4) cardiac stimulation, and (5) smooth-muscle relaxation. Caffeine (29) increases central nervous system activity and its main effect is on the cerebral cortex, where it acts to produce clear thought and reduce drowsiness and fatigue. The normal dose is 100-200 mg (Cordell, 1981). The oral LD50 in mouse is 127-137 mg/kg the oral LD50 in rat for theobromine (31) is 950... 

Psychotropic compounds, such as caffeine and nicotine, can exist in air as a result of their release in tobacco smoke or when certain drugs or essences are inhaled as vapors. These psychotropic substances belong to various classes of organic compounds with different physico chemical properties and different routes of release into the environment, so they may exist in the gaseous or asparticulates and as native compounds or derivatives. For instance, nicotine is mostly gaseous when it is a free base, but combines with tobacco smoke particles when in acidic form (Liang and Pankow, 1996). Cocaine and heroin in the atmosphere presumably exist mainly as solid particulates (Dindal et al., 2000 Cecinato and Balducci, 2007). 

The main seope of our work shown here is to present the experimental studies eoneeming the transport properties of systems containing calcium ions and caffeine, and some ab initio calculations. On the other words, we present ternary diffusion coefficients D, and for the system containing calcium chloride and caffeine, for concentrations of each component between 0.0025 M and 0.05 M and at 25 C and 37 C, using a specially designed apparatus built for measuring diffusion coefficients based on the Taylor technique (studies already done and indicated in the literature [4]). In addition, for the same systems and for the same temperatures, we report new viscosity and densities measurements. To obtain a better understanding of the structure of the chemical species formed, we have complemented these studies with ab initio calculations. 

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