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91.
Eric Gifford Mark Johnson Chun-che Tsai 《Journal of computer-aided molecular design》1991,5(4):303-322
Summary The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits. 相似文献
92.
R W Milne R L Nation G D Reynolds A A Somogyi J T Van Crugten 《Journal of chromatography. A》1991,565(1-2):457-464
Improvements to previously reported methods for the determination of morphine, morphine-3-glucuronide (M3G) and morphine-6-glucuronide (M6G) in human plasma are described. The improved methods involve the use of a solid-phase extraction cartridge and a chromatographic system which uses paired-ion reversed-phase high-performance liquid chromatography with a radially compressed column. Only one cartridge is used to prepare each sample for chromatography and each cartridge may be used for at least fourteen 1-ml plasma samples. The recovery is greater than 85%. The improvements to the method of sample pretreatment and in the chromatographic conditions have allowed determination of morphine, M3G and M6G in human plasma down to 13.3 nmol/l (coefficient of variation = 9.3%), 108 nmol/l (6.6%) and 41 nmol/l (6.7%), respectively, using ultraviolet detection alone. It was shown that all three compounds were stable in plasma for up to 101 weeks when stored at -20 degrees C. 相似文献
93.
M. H. Gehlen M. Van der Auweraer F. C. De Schrwer 《Photochemistry and photobiology》1991,54(4):613-618
The luminescence decay of excited probes in micelles in the presence of a Poisson distribution of quenchers is considered under conditions where both probe and quencher within the lifetime of the excited probe may exchange between the micelles. Analytical and numerical results show that the luminescence decay can be expressed by a generalized self convolution product of a multiexponential decay function. 相似文献
94.
95.
In this paper we analyse numerical models for time-dependent Boussinesq equations. These equations arise when so-called Boussinesq terms are introduced into the shallow water equations. We use the Boussinesq terms proposed by Katapodes and Dingemans. These terms generalize the constant depth terms given by Broer. The shallow water equations are discretized by using fourth-order finite difference formulae for the space derivatives and a fourth-order explicit time integrator. The effect on the stability and accuracy of various discrete Boussinesq terms is investigated. Numerical experiments are presented in the case of a fourth-order Runge-Kutta time integrator. 相似文献
96.
T. Van Cauteren J. Ryckebusch B. Metsch H. -R. Petry 《The European Physical Journal A - Hadrons and Nuclei》2007,31(4):613-615
We present some of our results for the electromagnetic properties of excited Σ hyperons, computed within the framework of the Bonn constituent-quark model, which is based on the Bethe-Salpeter approach.
The seven parameters entering the model are fitted against the best-known baryon masses. Accordingly, the results for the
form factors and helicity amplitudes are genuine predictions. We compare with the scarce experimental data available and discuss
the processes in which Σ
*'s may play an important role. 相似文献
97.
Tracy Huziak‐Clark Stephen J. Van Hook Julie Nurnberger‐Haag Lena Ballone‐Duran 《School science and mathematics》2007,107(8):311-324
This article focuses on the impact a collaborative project between university graduate fellows and K‐12 classroom teachers had on improved pedagogy in the classroom and in the future at the university. Nine teams participated in a yearlong professional development project to improve pedagogy and communication skills of the participants. This study shows that the participants, the fellows and the K‐12 teacher partners, made changes in planning, implementation, and even motivation for using inquiry‐based methods in their classroom. External observations of the teams further support the individuals' claims of improved pedagogy using inquiry and impact on student conceptual understanding. The Horizon Classroom Observation instrument was used for these observations. The teams showed an overall increase in scores, as well as overall effective and exemplarily implementation of their planning. The program design, the implementation, and the results of this three‐year study will be elaborated in this article. 相似文献
98.
Christopher A. Luckhurst Ian Millichip Beth Parker James Reuberson Mark Furber 《Tetrahedron letters》2007,48(50):8878-8882
A one-pot reaction of carboxylic acids with sulfonamides to afford sulfonylureas is described. 相似文献
99.
F. Trandafir P. Heerdt M. Fittipaldi E. Vinck S. Dewilde L. Moens S. Van Doorslaer 《Applied magnetic resonance》2007,31(3-4):553-572
In this work, the high-spin ferric form of the E7Q mutant of human neuroglobin (E7Q-NGB) is studied by X-band continuous-wave electron paramagnetic resonance (CW EPR) and hyperfine sublevel correlation (HYSCORE) spectroscopy. It is shown that the use of matched pulses in the HYSCORE experiment is essential to observe the nitrogen spectral contributions. The validity of approximating the high-spin Fe(III) system (S=5/2) as an effectiveS=1/2 system is tested and the consequences for the HYSCORE simulations are highlighted. Comparative HYSCORE experiments combined with deuterium exchange experiments for aquometmyoglobin and ferric E7Q-NGB clearly show that the heme iron of the latter protein is pentacoordinated, lacking the distal water. Furthermore, CW EPR experiments show that, at high pH, the E10K residue is coordinating to the heme iron in this globin. These observations are corroborated by resonance Raman experiments and could also be reproduced for other E7 mutants of human and mouse neuroglobin. Finally, the proton and nitrogen hyperfine and nuclear quadrupole parameters obtained for ferric E7Q-NGB are discussed in detail. 相似文献
100.
T. Rietmann S. Sohn M. Schröder D. Lipinsky H.F. Arlinghaus 《Applied Surface Science》2006,252(19):6640-6643
In order to improve quantification of high mass ions, the influence of cluster composition on detection efficiencies has been studied using a TOF-SIMS IV with the extended capability of postaccelerating ions up to 20 keV. In this experimental study, we focus on the comparison of detection efficiencies for three types of negatively charged secondary cluster ions: gold-alkanethiolate-clusters (AuxMy), gold-sulfur-clusters (AuxSy) and gold-clusters (Aux). The clusters were sputtered from self-assembled monolayers of hexadecanethiols on gold substrates using 10 keV Ar+ primary ions. The detection efficiencies were derived on the basis of a function for the secondary electron yield and a fourth-order approximated Poisson probability distribution for electron propagation and amplification within the microchannel plate.In addition to the well-known dependence of detection efficiencies on ion mass and energy, which has already been studied for positively charged ions, we were able to show a similar behaviour for the investigated negatively charged secondary ions. We have observed major variations among the three types of clusters at similar mass and energy as predicted in a theoretical approach. The observed differences are due to the different composition of the investigated clusters which has a major influence on the kinetic ion induced electron emission within the microchannel plate. For the first time it was possible to experimentally verify these predictions for detection efficiencies. 相似文献