Continuous molecular fields advantages

The CMF approach describes molecules by ensemble of continuous functions (molecular fields), instead of finite sets of molecular descriptors (such as interaction energies computed at grid nodes). The potential advantages of this approach results from the ability to approximate electronic molecular stmctures with any desirable accuracy level, the abihty to leverage the valuable information contained in partial derivatives of molecular fields (otherwise lost upon discretization) to analyze models and enhance their predictive performance, the ability to apply integral transforms to molecular fields and models, etc. 

Quantitative analytical methods using FIA have been developed for cationic, anionic, and molecular pollutants in wastewater, fresh waters, groundwaters, and marine waters, several examples of which were described in the previous section. Table 13.2 provides a partial listing of other analytes that have been determined using FIA, many of which are modifications of conventional standard spectropho-tometric and potentiometric methods. An additional advantage of FIA for environmental analysis is its ability to provide for the continuous, in situ monitoring of pollutants in the field. ... 

As seen in this chapter, the theory and procedures for orientation measurements are well established, including for quantitative characterization. These methods can provide very accurate and useful information in the fields of synthetic, natural, and bio-inspired macromolecules. To this aim, researchers can make use of a wide range of techniques, each having its advantages and limitations. As judged from the recent literature, the studies devoted to the quantification and characterization of molecular orientation still represent a very dynamic research field and advances still continue to emerge. Further progresses in the development of new methods and new techniques to characterize orientational order are thus expected in the future. 

In more recent times, the field has increasingly focused on topics where molecular materials have an advantage over continuous-lattice solids. Such studies can exploit the modular synthesis of molecular materials, whereby different molecules with differing functions can be combined to form a hybrid material with interacting magnetic and/or conducting and/ or optical properties. This is leading to new fields such as molecular spintronics, multifunctional and switchable materials where... 

Multiplexed immunoassays, which permit the simultaneous assay of several analytes in the same sample, are already available commercially. These systems typically depend on the use of reagent beads functionalized with different capture antibodies directed against the analytes of interest. Interest in multiplexed assays seems likely to continue to develop rapidly. The advantages and limitations of bead-based and microspot/microarray-based multiplexing approaches, as well as their application to the field of molecular diagnostics, have been discussed recently [200]. 

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