Statistical testing of optimality conditions in multiresponse simulation-based optimization

This article studies simulation-based optimization with multiple outputs. It assumes that the simulation model has one random objective function and must satisfy given constraints on the other random outputs. It presents a statistical procedure for testing whether a specific input combination (proposed by some optimization heuristic) satisfies the Karush–Kuhn–Tucker (KKT) first-order optimality conditions. The article focuses on “expensive” simulations, which have small sample sizes. The article applies the classic t test to check whether the specific input combination is feasible, and whether any constraints are binding; next, it applies bootstrapping (resampling) to test the estimated gradients in the KKT conditions. The new methodology is applied to three examples, which gives encouraging empirical results.     

Substituent effects on the disproportionation—combination rate constant ratios for gas‐phase halocarbon radicals,Part 5: Reactions of CF3 + CF3CH2CHCH3 and CF3CH2CHCH3 + CF3CH2CHCH3

Rate constant ratios, k_d/k_c for the disproportionation/combination reaction have been measured as 0.07 ± 0.02 when an H is removed from the CH₂ position of the CF₃CH₂CHCH₃ radical and as 0.24 ± 0.03 when the H is removed from the CH₃ position in the reaction with the CF₃ radical. For the self‐reaction between two CF₃CH₂CHCH₃ radicals, k_d/k_c has been measured as 0.27 ± 0.03 when the H is removed from the CH₂ position and as 0.47 ± 0.04 when the H is removed from the CH₃ position. The branching fraction, corrected for the number of hydrogens at each site, is 0.70 favoring the methyl position when the acceptor radical is CF₃ and 0.54 when CF₃CH₂CHCH₃ is the acceptor radical. Branching fraction results show that the CF₃ substituent on the CF₃CH₂CHCH₃ radical hinders disproportionation when CF₃ is the acceptor radical. When the accepting radical is CF₃CH₂CHCH₃ the CF₃ substituent may slightly impede the disproportionation reaction, but the branching ratio is nearly statistical. The effect of substituents on the donor radical, CF₃CH₂CHX, will be discussed for the series X = H, CF₃, Cl, and CH₃ when the acceptor radical is CF₃. © 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 549–557, 2001     

Limited packings in graphs

We define a k-limited packing in a graph, which generalizes a 2-packing in a graph, and give several bounds on the size of a k-limited packing. One such bound involves the domination number of the graph, and here we show all trees attaining the bound can be built via a simple sequence of operations. We consider graphs where every maximal 2-limited packing is a maximum 2-limited packing, and characterize their structure in a number of cases.     

Ueber das Oxyh?moglobin

Ohne Zusammenfassung     

Iridium and Rhodium as Permanent Chemical Modifiers for the Determination of Ag, As, Bi, Cd, and Sb by Electrothermal Atomic Absorption Spectrometry

Performance of graphite platforms coated with Ir, Rh, and a mixture of both, as permanent modifiers for Ag, As, Bi, Cd, and Sb, was evaluated. The coating process is very simple: a solution containing Ir, Rh, or a mixture of both is pipetted on the platform inserted in a graphite tube, and this is submitted to a temperature program. High pyrolysis temperatures are allowed, especially for As and Bi, 1400°C, in the Ir + Rh-coated platform. The sensitivity remains about the same for all analytes with different coatings, except for As in the Ir-coated platform, for which a remarkable gain was obtained in comparison to the other coatings. The lifetimes of the treated tubes were in the range 50 to more than 1000 cycles, being especially long for Sb and Ag in the Rh-coated platform, more than 600 and 1000 cycles, respectively. The Rh coating could not be used for Bi and Cd. Analysis of a certified reference water and of acid oyster tissue digests showed the absence of interference and good precision. Advantages of the permanent coatings are the possibility of low blanks byin situcleaning of the modifier and shorter analysis time.     

Twist points of the von Koch snowflake

It is known that the set of twist points in the boundary of the von Koch snowflake domain has full harmonic measure. We provide a new, simple proof, based on the doubling property of the harmonic measure, and on the existence of an equivalent measure, invariant and ergodic with respect to the shift.

     

The influence of sensitivity for road traffic noise on residential location: does it trigger a process of spatial selection?

People move to another house for different reasons. It is sometimes presumed that a process of self-selection might take place on the basis of noise sensitivity, i.e., sensitive people would either leave high noise areas or not move into these areas in the first place. Thus, a "survivor population" would remain in the high noise areas. This research aims to investigate whether such a process can be observed in the Netherlands. The study does not show evidence of a process of self-selection based on noise sensitivity. Nevertheless, the results suggest that noise-sensitive people are less satisfied with their living environment and are more willing to move than those who are not noise sensitive. Due to the limited sample size, external validity is limited.