A-optimality

Ding, H.Q., Karawasa, N., Goddard III, W.A. Optimal spline cutoffs for Coulomb and van der Waals interactions. Chem. Phys. Lett. 193 (1992) 197-201. 

Ramirez, J., Guttierez, H., and Gschaedler, A., Optimization of astaxanthin production hy Phaffia rhodozyma through factorial design and response surface methodology, J. BiotechnoL, 88, 259, 2001. 

The Surflex-Sim method operates significantly differently [104]. Each of the molecules is surrounded by a set of observer points that characterizes the local character of the surface and potential interactions. Two similar molecules will have a common subset of comparable observer points. A optimal alignment occurs when the differences in pharmacophore character and molecular surface inferred from the observer points are minimized between two molecules. To speed up the algorithm, large molecules can be fragmented into parts which are then compared, and then tested for consistency. This feature also makes the method capable of identifying alignments when one molecule is much smaller than the other. 

Srivastava A. Optimizing clotting factor replacement therapy in hemophilia A global need. Hematology 2005 10(suppl l) 229-230. 

Lu, N.D., Kofke, D.A., Optimal intermediates in staged free-energy calculations, J. Chem. Phys. 1999, 111, 4414 -423... 

The mesh plots show different slopes of productivity, depending on i and qp, and the poly(3HB) content. How an increase in i or qp enhances productivity is presented in Fig. 5, starting from two different pairs of actual jli and qp values. Each of the initial values was increased by 20% or 40%. If both specific velocities are increased, then the productivity increases in the same way. Starting from jli = 0.35 h 1 and qp = 0.15 g g 1 h 1 (A) optimization of the growth rate has a stronger effect over a broader range of final poly(3HB) contents than starting from jli = 0.2 h 1 and qp = 0.05 g g 1 h 1 (B). 

Iliev I., Gamburzev S., Kaisheva A., Optimization of the pyrolysis temperature of active carbon-CoTMPP catalyst for air electrodes in alkaline media, J.Power Sources, 1986 17 345 352. 

In Figure 2 an example is given the 2D structure of DIMBOA is converted in a optimized 3D structure where the torsion angles have the biggest impact on the energy of the molecule and dictate the overall 3D molecular shape. 

Figure 1 Structures of 1 Br2 and 1 Br4 (a) optimized structures predicted in solutions and (b) observed ones in crystals...

Fig. 27 (a) Optimized graphene sheet for the realization of a half-adder. Each logical input noted a and [i controls the photoisomerization state of one of the two stilbene groups. Depending on this isomerization state, the overall conductance of the molecule between the three electrodes is modified, (b) Current intensity calculated in the two output electrodes depending on the conformation of the stilbene groups... 

Optimal Lot Size A - - - Optimal Lot Size B 8 Service Level A - - - 6 Service Level B ... 

In plant operations planning each refinery model produces target operating conditions, stream allocations, and blends across the whole refinery, which determines (a) optimal operating conditions, flows, blend recipes, and inventories and (b) costs, cost limits, and marginal values to the scheduling and real-time optimization (RTO) models. 

Case A Optimal Cooling for a Reactor with an Exothermic Reversible Reaction... 

A biorefinery maximizes the value derived from the complex biomass feedstock by (a) optimal use and valorization of feedstock, (b) optimization and integration of processes for better efficiency, and (c) optimization of inputs (water, energy, etc.) and waste recycling/treatment. Integrated production of bioproducts, especially for bulk chemicals, biofuels, biolubricants and polymers, can improve their competitiveness and eco-efficiency. However, although a few examples of biorefineries already exist (Chapters 3 and 6), many improvements are still needed to enhance the process [5] ... 

A. Optimization of the ProteomeLab PA800 Instrument for Routine CE-SDS Analysis... 

Figure 6. (a) Optimization of ion conductivity in mixed solvents 1.0 M LiC104 in PC/DME. (b) Dependence of dielectric constant (e) and fluidity (j ) on solvent composition. These plots are reconstructed based on the data reported in refs 187 and 194, respectively. 

Fig. 13. Brief description of singular control problem (see Gunn and Thomas, 1965, and Jackson, 1968). Reprinted with permission from Ind. Eng. Chem. Res. 28, 1628-1645, J. S. Logsdon and L. T. Biegler, On the Accurate Solution of D-A Optimization Problems, Copyright 1989 American Chemical Society.

Dunn-Meynell, K W. Wainhaus, S. Korfmacher, W. A. Optimizing an ultrafast generic high-performance liquid chromatography/tandem mass spectrometry method for faster discovery pharmacokinetic sample throughput. Rapid Commun Mass Spectrom 2005, 19, 2905-2910. 

Figure 3.1. Altitude drawing of the A optimal complementary orbital for values in thex-z plane. The H nuclei are on the z-axis. The two vertical lines point at the nuclei.

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