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Maximal Deviation (maximal + deviation)
Selected Abstracts1,1,1-Trichloro-3-(1-phenethylamino-ethylidene)- pentane-2,4-dione,synthesis, spectroscopic, theoretical and structural elucidationJOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Issue 12 2007Tsonko M. Kolev Abstract 1,1,1-Trichloro-3-(1-phenethylamino-ethylidene)-pentane-2,4-dione is spectroscopically and structurally elucidated by means of linear-polarized IR spectroscopy (IR-LD) of oriented solids as a colloidal suspension in nematic liquid crystal. Structural information and IR-spectroscopic assignment are supported by quantum chemical calculations at MP2 and B3LYP level of theory and 6-311++G** basis set. The geometry is characterized with an inramolecular hydrogen bond of NH,OC with length of 2.526,Å and a NHO angle of 140.5(1)°. The NHC(CH3)CCCO(CH3) fragment is nearly flat with a maximal deviation of total planarity of 10.4°. Copyright © 2007 John Wiley & Sons, Ltd. [source] Non-parametric confidence bands in deconvolution density estimationJOURNAL OF THE ROYAL STATISTICAL SOCIETY: SERIES B (STATISTICAL METHODOLOGY), Issue 3 2007Nicolai Bissantz Summary., Uniform confidence bands for densities f via non-parametric kernel estimates were first constructed by Bickel and Rosenblatt. In this paper this is extended to confidence bands in the deconvolution problem g=f*, for an ordinary smooth error density ,. Under certain regularity conditions, we obtain asymptotic uniform confidence bands based on the asymptotic distribution of the maximal deviation (L, -distance) between a deconvolution kernel estimator and f. Further consistency of the simple non-parametric bootstrap is proved. For our theoretical developments the bias is simply corrected by choosing an undersmoothing bandwidth. For practical purposes we propose a new data-driven bandwidth selector that is based on heuristic arguments, which aims at minimizing the L, -distance between and f. Although not constructed explicitly to undersmooth the estimator, a simulation study reveals that the bandwidth selector suggested performs well in finite samples, in terms of both area and coverage probability of the resulting confidence bands. Finally the methodology is applied to measurements of the metallicity of local F and G dwarf stars. Our results confirm the ,G dwarf problem', i.e. the lack of metal poor G dwarfs relative to predictions from ,closed box models' of stellar formation. [source] Ion rotating motion in a gas-filled radio-frequency quadrupole ion guide as a new technique for structural and kinetic investigations of ionsRAPID COMMUNICATIONS IN MASS SPECTROMETRY, Issue 20 2001Valeri V. Raznikov An ion rotating excitation mode of operation of a segmented gas-filled radio-frequency quadrupole (RFQ) ion guide for a high-resolution orthogonal time-of-flight (TOF) mass spectrometer is described. It is shown theoretically, by computer simulation and experimentally, that ion rotating excitation in a gas-filled RFQ has several advantages over other types of ion oscillation excitation. The main advantages are an approximately twofold increase in average ion kinetic energy for the same maximal deviation from the RFQ axis and therefore an increase of about this factor of average internal excitation energy of ions, and the extended mass range of fragment ions that can be observed. The new method of ion decomposition by ion rotation around the axis of an RFQ ion guide was experimentally implemented and tested using a home-built ,SIN-COS' generator to supply the excitation voltage. This generator enables control of phase shift and amplitude of excitation voltages applied to quadrupole rods smoothly from the data acquisition program running on a PC. Copyright © 2001 John Wiley & Sons, Ltd. [source] Comparison of Different Methods of ST Segment Resolution Analysis for Prediction of 1-Year Mortality after Primary Angioplasty for Acute Myocardial InfarctionANNALS OF NONINVASIVE ELECTROCARDIOLOGY, Issue 1 2007Jakub Przyluski M.D. Background: Resolution of ST segment elevation corresponds with myocardial tissue reperfusion and correlates with clinical outcome after ST elevation myocardial infarction. Simpler method evaluating the extent of maximal deviation persisting in a single ECG lead was an even stronger mortality predictor. Our aim was to evaluate and compare prognostic accuracy of different methods of ST segment elevation resolution analysis after primary percutaneous coronary intervention (PCI) in a real-life setting. Methods: Paired 12-lead ECGs were analyzed in 324 consecutive and unselected patients treated routinely with primary PCI in a single high-volume center. ST segment resolution was quantified and categorized into complete, partial, or none, upon the (1) sum of multilead ST elevations (sumSTE) and (2) sum of ST elevations plus reciprocal depressions (sumSTE+D); or into the low-, medium-, and high-risk groups by (3) the single-lead extent of maximal postprocedural ST deviation (maxSTE). Results: Complete, partial, and nonresolution groups by sumSTE constituted 39%, 40%, and 21% of patients, respective groups by sumSTE+D comprised 40%, 39%, and 21%. The low-, medium-, and high-risk groups constituted 43%, 32%, and 25%. One-year mortality rates for rising risk groups by sumSTE were 4.7%, 10.2%, and 14.5% (P = 0.049), for sumSTE+D 3.8%, 9.6%, and 17.6% (P = 0.004) and for maxSTE 5.1%, 6.7%, and 18.5% (P = 0.001), respectively. After adjustment for multiple covariates only maxSTE (high vs low-risk, odds ratio [OR] 3.10; 95% confidence interval [CI] 1.11,8.63; P = 0.030) and age (OR 1.07; 95% CI 1.02,1.11; P = 0.002) remained independent predictors of mortality. Conclusions: In unselected population risk stratifications based on the postprocedural ST resolution analysis correlate with 1-year mortality after primary PCI. However, only the single-lead ST deviation analysis allows an independent mortality prediction. [source] | ||||||||||