63 resultados para Multivariate curve resolution-alternating least squares
Resumo:
Reflectivity sequences extraction is a key part of impedance inversion in seismic exploration. Although many valid inversion methods exist, with crosswell seismic data, the frequency brand of seismic data can not be broadened to satisfy the practical need. It is an urgent problem to be solved. Pre-stack depth migration which developed in these years becomes more and more robust in the exploration. It is a powerful technology of imaging to the geological object with complex structure and its final result is reflectivity imaging. Based on the reflectivity imaging of crosswell seismic data and wave equation, this paper completed such works as follows: Completes the workflow of blind deconvolution, Cauchy criteria is used to regulate the inversion(sparse inversion). Also the precondition conjugate gradient(PCG) based on Krylov subspace is combined with to decrease the computation, improves the speed, and the transition matrix is not necessary anymore be positive and symmetric. This method is used to the high frequency recovery of crosswell seismic section and the result is satisfactory. Application of rotation transform and viterbi algorithm in the preprocess of equation prestack depth migration. In equation prestack depth migration, the grid of seismic dataset is required to be regular. Due to the influence of complex terrain and fold, the acquisition geometry sometimes becomes irregular. At the same time, to avoid the aliasing produced by the sparse sample along the on-line, interpolation should be done between tracks. In this paper, I use the rotation transform to make on-line run parallel with the coordinate, and also use the viterbi algorithm to complete the automatic picking of events, the result is satisfactory. 1. Imaging is a key part of pre-stack depth migration besides extrapolation. Imaging condition can influence the final result of reflectivity sequences imaging greatly however accurate the extrapolation operator is. The author does migration of Marmousi under different imaging conditions. And analyzes these methods according to the results. The results of computation show that imaging condition which stabilize source wave field and the least-squares estimation imaging condition in this paper are better than the conventional correlation imaging condition. The traditional pattern of "distributed computing and mass decision" is wisely adopted in the field of seismic data processing and becoming an obstacle of the promoting of the enterprise management level. Thus at the end of this paper, a systemic solution scheme, which employs the mode of "distributed computing - centralized storage - instant release", is brought forward, based on the combination of C/S and B/S release models. The architecture of the solution, the corresponding web technology and the client software are introduced. The application shows that the validity of this scheme.
Resumo:
P-glycoprotein (P-gp), an ATP-binding cassette (ABC) transporter, functions as a biological barrier by extruding cytotoxic agents out of cells, resulting in an obstacle in chemotherapeutic treatment of cancer. In order to aid in the development of potential P-gp inhibitors, we constructed a quantitative structure-activity relationship (QSAR) model of flavonoids as P-gp inhibitors based on Bayesian-regularized neural network (BRNN). A dataset of 57 flavonoids collected from a literature binding to the C-terminal nucleotide-binding domain of mouse P-gp was compiled. The predictive ability of the model was assessed using a test set that was independent of the training set, which showed a standard error of prediction of 0.146 +/- 0.006 (data scaled from 0 to 1). Meanwhile, two other mathematical tools, back-propagation neural network (BPNN) and partial least squares (PLS) were also attempted to build QSAR models. The BRNN provided slightly better results for the test set compared to BPNN, but the difference was not significant according to F-statistic at p = 0.05. The PLS failed to build a reliable model in the present study. Our study indicates that the BRNN-based in silico model has good potential in facilitating the prediction of P-gp flavonoid inhibitors and might be applied in further drug design.
Resumo:
The heat capacities (C-p) of five types of gasohol (50 wt % ethanol and 50 wt % unleaded gasoline 93(#) (E50), 60 wt % ethanol and 40 wt % unleaded gasoline 93(#) (E60), 70 wt % ethanol and 30 wt % unleaded gasoline 93(#) (E70), 80 wt % ethanol and 20 wt % unleaded gasoline 93(#) (E80), and 90 wt % ethanol and 10 wt % unleaded gasoline 93(#) (E90), where the "93" denotes the octane number) were measured by adiabatic calorimetry in the temperature range of 78-320 K. A glass transition was observed at 95.61, 96.14, 96.56, 96.84, and 97.08 K for samples from the E50, E60, E70, E80, and E90 systems, respectively. A liquid-solid phase transition and a solid-liquid phase transition were observed in the respective temperature ranges of 118-153 and 155-163 K for E50, 117-150 and 151-164 K for E60, 115-154 and 154-166 K for E70, 113-152 and 152-167 K for E80, and 112-151 and 1581-167 K for E90. The polynomial equations of Cp and the excess heat capacities (C-p(E)), with respect to the thermodynamic temperature, were established through least-squares fitting. Based on the thermodynamic relationship and the equations obtained, the thermodynamic functions and the excess thermodynamic functions of the five gasohol samples were derived.