Wichita State University

About: Wichita State University is a education organization based out in Wichita, Kansas, United States. It is known for research contribution in the topics: Population & Poison control. The organization has 4988 authors who have published 9563 publications receiving 253824 citations. The organization is also known as: WSU & Fairmount College.

Corrole-fullerene dyads: formation of long-lived charge-separated states in nonpolar solvents.

Abstract: The first example of covalently linked free-base corrole−fullerene dyads is reported. In the newly synthesized dyads, the free-energy calculations performed by employing the redox and singlet excited-state energy in both polar and nonpolar solvents suggested the possibility of electron transfer from the excited singlet state of corrole to the fullerene entity. Accordingly, steady-state and time-resolved emission studies revealed efficient fluorescence quenching of the corrole entity in the dyads. Further studies involving femtosecond laser flash photolysis and nanosecond transient absorption studies confirmed electron transfer to be the quenching mechanism, in which the electron-transfer product, the fullerene anion radical, was able to be spectrally characterized. The rate of charge separation, kCS, was found to be on the order of 1010−1011 s−1, suggesting an efficient photoinduced electron-transfer process. Interestingly, the rate of charge recombination, kCR, was slower by 5 orders of magnitude in nonp...

Detached-eddy simulation with compressibility corrections applied to a supersonic axisymmetric base flow

Abstract: Detached-eddy simulation is applied to an axisymmetric base flow at supersonic conditions. Detached-eddy simulation is a hybrid approach to modeling turbulence that combines the best features of the Reynolds-averaged Navier-Stokes and large-eddy simulation approaches. In the Reynolds-averaged mode, the model is currently based on either the Spalart-Allmaras turbulence model or Menter’s shear stress transport model; in the largeeddy simulation mode, it is based on the Smagorinski subgrid scale model. The intended application of detached-eddy simulation is the treatment of massively separated, highReynolds number flows over complex configurations (entire aircraft, automobiles, etc.). Because of the intented future application of the methods to complex configurations, Cobalt, an unstructured grid Navier-Stokes solver, is used. The current work incorporates compressible shear layer corrections in both the Spalart-Allmaras and shear stress transport-based detached-eddy simulation models. The effect of these corrections on both detached-eddy simulation and Reynolds-averaged Navier-Stokes models is examined, and comparisons are made to the experiments of Herrin and Dutton. Solutions are obtained on several grids—both structured and unstructured—to test the sensitivity of the models and code to grid refinement and grid type. The results show that predictions of base flows using detached-eddy simulation compare very well with available experimental data, including turbulence quantities in the wake of the axisymmetric body. @DOI: 10.1115/1.1517572#

Deviancy training and association with deviant peers in young children: ocurrence and contribution to early-onset conduct problems.

Abstract: The relationships of deviant talk and role taking during peer interaction, association with deviant peers, and growth in overt and covert conduct problems during kindergarten and first grade were examined in a community sample of 267 boys and girls. At entry to kindergarten, high levels of overt and covert conduct problems predicted association with deviant peers, and deviant peer association predicted deviant talk and role taking during peer interaction during kindergarten. Association with deviant peers, and deviant talk and role taking predicted growth in overt and covert conduct problems on the playground, in the classroom, and at home during kindergarten and first grade. Peer processes associated with growth in conduct problems that escalate rapidly during late childhood and adolescence appear to occur in earlier childhood. These peer processes may play a central role in the evolution of conduct problems to include covert as well as overt forms.

Gas phase model of an ionic liquid: semi-empirical and ab initio bonding and molecular structure

Abstract: Semi-empirical (AM1 and PM3) and ab initio structures of the gas phase ion pair, bmim+(1-butyl-3-methyl imidazolium)–PF6−, have been calculated. The ab initio calculations include fully optimized structures at the RHF/3-21G(∗), RHF/6-31G∗, RHF/6-31G∗∗, MP2/6-31G∗, B3LYP/6-31G∗ and B3LYP/6-31G∗∗ levels. Semi-empirical structures (AM1 and PM3) are similar to those obtained from ab initio methods. The non-bonded interactions in these ion pairs are of the C–H⋯X type (C–H⋯F hydrogen bonds) and exist between F's on PF6− and (a) the imidazolium ring N–H, (b) the methyl group H adjacent to the ring and (c) H's on the butyl (bmim+) side chain. The ab initio ion pair structures contain hydrogen bonds that shorten with increasing basis set complexity. The movement of the bmim+ imidazolium ring C2–H along the proton transfer coordinate towards PF6− produces similar anharmonic functions for the RHF/6-31G∗//6-31G∗∗, MP2/6-31G∗//6-31G∗∗, RHF/6-31G∗∗/6-31+G(d,p)//6-31G∗∗, MP2/6-31G∗∗/6-31+G(d,p)//6-31G∗∗, B3LYP/6-31G∗//6-31G∗∗ and B3LYP/6-31G∗∗/6-31+G(d,p)//6-31G∗∗ levels. The existence of anharmonic functions that describe the proton transfer coordinate is consistent with the Del Bene model of hydrogen bonding.