Optimization general approach

To our surprise and satisfaction, the general approach worked the CBI derivatives did chemiluminescence, and the sensitivity enhancement was 30- to 50-fold over fluorescence With this success, we embarked on a more thorough study of chemiluminescence with the goal of optimizing the method. Identifiable parameters that affected the efficiency of light emission from a chemically generated fluorescent molecule included ... 

Because the goal of hit triage is to identify chemical series that hold promise for further optimization, an approach to characterize the ADME properties of a series, not just individual compounds is often useful. Where possible, characterizing the structure-ADME property relationship, in much the same way that a structure-potency relationship is defined, can be valuable for assessing the probability that a given structural series can be successfully optimized. The goals of this ADME property characterization are twofold (1) to identify specific structural features that may be liabilities (benefits), and (2) to identify general structure-ADME property correlations. 

Zhang H, Marin V, Fijten MWM, Schubert US (2004) High-throughput experimentation in atom-transfer radical polymerization a general approach toward a directed design and understanding of optimal catalytic systems. J Polym Sci Part A Polym Chem 42 1876-1885... 

A full discussion of all the issues related to this concept is out of the scope of this preliminary communication. Instead, we present here the basics of the general approach, as well as a specific example illustrating one iteration in the optimization of Pd-catalyzed Heck reactions using bidentate ligands, which demonstrate higher catalytic activities and lifetimes than monodentates (6). The full technical details of the algorithms and the theoretical treatment of the catalyst library diversity will be published elsewhere (7). 

In combinatorial heterogeneous catalysis two general approaches are in practice experiments without [8-10] and experiments with the use of a given library optimization method [11,12]. The use of an optimization tool strongly reduces the number of experiments required to find catalysts with optimum performance. 

There are several systems which can be used to select the solvents of the mobile phase. The number of selected solvents and the solvents which are selected not only depend on the chromatographic problem but also on the method which will be used to optimize the system. With response surface methodology it is appropriate to use a minimum number of solvents. For reasons stated below this minimum number of solvents was four. The second question is, which solvents will be selected, is more difficult to answer when a small number of solvents is used because the consequences of a wrong selection are large. Several approaches are possible to select the solvents. The most simple method is comparison with common solvent systems for the solutes under investigation. A more general approach is to use the selectivity triangle of Snyder [4] in the selection of the solvents. 

We use this general approach to optimize a reliable transfer of a quantum state from a fragile (noisy) qubit to a robust (quiet) qubit. We choose to focus on the case of two resonant qubits with temporally controlled coupling strength. The free Hamiltonian without decoherence is then... 

With due deference to the myriad mathematics dissertations and journal articles on the subject of optimization, f will briefly mention some of the general approaches to finding an optimum and then describe the recommended methods of experimental design in some detail. There are two broad classes that define the options systems that are sufficiently described by a priori mathematical equations, called models, and systems that are not explicitly described, called model free. Once the parameters of a model are known, it is often quite trivial, via the miracles of differentiation, to find the maximum (maxima). 

Chen et al. reported on a general approach by which the polarization of the emission from semiconductor nanorods can be manipulated by an external bias. In their device, the composite of a nematic liquid crystal mixture (E7, Merck) and nanorods (CdS) filled into an ITO-coated cell with an optimized concentration of one CdS nanorod per 1010 LC molecules was used to achieve the highest polarization ratio of the suspended nanorods [447, 448]. The nematic liquid crystal in this system acts as a solvent and media whose direction of alignment can be tuned by an applied electric field. Hence, the orientation of the CdS nanorods can be fine-tuned by an external bias because of the anchoring force between the liquid crystal... 

---