Accord Database Explorer

Accord Database Explorer—to access Accelrys reaction databases... 

Comparison with topsoil and subsoil samples will give information about enrichment or depletion processes between the layers. One such process is anthropogenic contamination of the top layer. The <2 mm fraction will be taken according to environmental standards. The <0.18 mm and finer fractions have been widely used in mineral exploration programmes and the GTN data will be used to create a link between environmental and mineral exploration databases. 

The arguments just provided detail the potential issues around hydrates in the development process. The other consideration is the frequency with which hydrates are encountered in real life. Focusing on active drug substances, it is estimated that approximately one-third of the pharmaceutical actives are capable of forming crystalline hydrates [3]. A search of the Cambridge Structural Database (CSD) shows that approximately 11% of all the reported crystal structures contain molecular water [4]. This represents over 16,000 compounds. If organometallic compounds are excluded, this number drops to approximately 6,000 (3.8%), and the breakdown of these according to hydration number is shown in Fig. 1. This shows the expected trend in which monohydrates are most frequently encountered, and where the frequency decreases almost exponentially as the hydration number increases. The hemihydrate stoichiometry occurs approximately as frequently as the trihydrate, which should serve as a caution to explore fully the occurrence of fractional hydration. That is, an apparent stoichiometry of 0.6 water molecules could be a partially dehydrated monohydrate, or it... 

Empirical models, sometimes called database models, exist at the other extreme of the modeling spectrum from deterministic models. Empirical (or phenomenological models) are based on the philosophy that everything that can ever be known must have been observed. Accordingly, these models are very restrictive and are not a good choice for exploring the outside limits of the data used to develop the model. For example, if an empirical model is developed based on observation of the corrosion of iron in an acidic medium, the use of that model for the corrosion of the same iron in a basic medium will give inadequate results. 

It has been showed that chocolate is one of the most polyphenol-rich foods. According to Lee et al. [9], cocoa contains a higher content of flavonoids per serving than teas or red wine. Moreover cocoa powder is one of the richest dietary sources of flavanols (on a weight basis) identified so far, exceeded only by a few food ingredients such as buckwheat huUs, sorghum, cinnamon, and some superfruit [10]. Cocoa is also one of the richest dietary sources of polyphenols fisted in the Phenol-Explorer database [11] and one of the richest sources of procyanidins in the USDA Database for the Proanthocyanidin Content of Selected Foods [12] (Fig. 74.1). 

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