Optimal linear interpolation of multiple missing values

Statistical Inference for Stochastic Processes - The problem of linear interpolation in the context of a multivariate time series having multiple (possibly non-consecutive) missing values is...     

Speciation of sulfur-containing compounds in diesel by comprehensive two-dimensional gas chromatography

Sulfur-containing compounds in diesel have been speciated by comprehensive two-dimensional gas chromatography (GCxGC) with a sulfur chemiluminescence detector (SCD). The advantages of GCxGC technique are higher resolution and greater sensitivity. GCxGC-SCD can achieve the class separation of sulfur-containing compounds with an appropriate separation column combination. The major classes of sulfur-containing compounds in diesel are benzothiophenes and dibenzothiophenes. Relative concentration of each class as well as each carbon number family can be quantitated by the summation of the integrated areas corresponding to the individual group(s) in the GCxGC space. In practical applications, GCxGC-SCD can be used to characterize different diesels and to reflect desulfurization process efficiency. In this study, GCxGC-SCD has demonstrated its value in speciation of sulfur-containing compounds classes, which is difficult to accomplish by any other single technique.     

On the measurement and treatment of extremes in time series

The paper reviews the topic of extremal time series. The literature documenting the presence of extremes in time series data is first reviewed, followed by a discussion of various probabilistic measures, along with the associated statistical inference problems. The impact of extremes upon statistical analyses is discussed, and the connection to extremal latent components is emphasized. Two data sets illustrate the methods.     

Correlated electron state in Ce(1-x)Yb(x)CoIn5 stabilized by cooperative valence fluctuations

X-ray diffraction, electrical resistivity, magnetic susceptibility, and specific heat measurements on Ce(1-x)Yb(x)CoIn5 (0≤x≤1) reveal that many of the characteristic features of the x=0 correlated electron state are stable for x≤0.775 and that phase separation occurs for x>0.775. The stability of the correlated electron state is apparently due to cooperative behavior of the Ce and Yb ions, involving their unstable valences. Low-temperature non-Fermi liquid behavior is observed and varies with x, even though there is no readily identifiable quantum critical point. The superconducting critical temperature T(c) decreases linearly with x towards 0 K as x→1, in contrast with other HF superconductors where T(c) scales with T(coh).     

cis‐Tetra­carbonyl­[(4‐fluoro­phenyl)di­phenyl­phosphine‐P](piperidine‐N)molybdenum(0)

The title mol­ecule, [Mo{P(C₆H₅)₂(C₆H₄F)}(HNC₅H₁₀)(CO)₄] or [Mo(C₁₈H₁₄FP)(C₅H₁₁N)(CO)₄], has irregular octahedral geometry about the Mo atom. The mol­ecules form a complicated hydrogen‐bonded network comprising C—H?O, C—H?F and C—H?π hydrogen bonds and π–π interactions. The C—H?π and π–π interactions form chains containing C—H?π/π–π dimers linked via C—H?π interactions and the chains are linked into a three‐dimensional network via C—H?O and C—H?F hydrogen bonds.     

Transposition of allylic alcohols controlled by the Ph2PO group: Reagents for α-hydroxy-diene synthesis by the horner-wittig reaction

4-Hydroxy-2-alkenyldiphenylphosphine oxides, prepared by a phosphorus-controlled allylic rearrangement, give dianions and hence α-hydroxydienes (substituted penta-2,4-dienols) by the Horner-Wittig reaction.     

Simultaneous measurements of visible (400-700 nm) and infrared (3.4 microm) NO(2) absorption

Laboratory measurements of NO(2) absorption were obtained in the visible (400-700 nm) and mid-infrared (3.4 mum) regions simultaneously using SCISAT-1's ACE-FTS (atmospheric chemistry experiment-Fourier transform spectrometer) and MAESTRO (measurement of aerosol extinction in the stratosphere and troposphere retrieved by occultation) spectrometers. An intercomparison of these measurements was used to verify the consistency between the HITRAN 2004 3.4-mum band strengths and the strengths of three different visible cross section data sets. These measurements should be of interest to the remote-sensing community, since NO(2) measurements obtained by infrared-range instruments are often compared to those obtained by visible-range instruments without accurate knowledge of the consistency between the visible and infrared absorption coefficients. Two significant results were obtained in this study: (1) A 0.5% agreement was found between the HITRAN 2004 line strengths and the Vandaele et al. (Vandaele, A. C.; Hermans, C.; Fally, S.; Carleer, M.; Colin, R.; Mérienne, M.-F.; Jenouvrier, A.; Coquart, B. J. Geophys. Res. 2002, 107 (D18), 4348) temperature-corrected cross sections, and (2) the mean pressure-broadened half-width of NO(2) by NO in the 3.4-mum band was measured as being 0.096 +/- 0.001 cm(-1) atm(-1). The latter finding is thought to be unreported by the literature.     

logD7.4 modeling using Bayesian Regularized Neural Networks. Assessment and correction of the errors of prediction

Bayesian Regularized Neural Networks (BRNNs) employing Automatic Relevance Determination (ARD) are used to construct a predictive model for the distribution coefficient logD7.4 from an in-house data set of 5000 compounds with experimental endpoints. A method for assessing the accuracy of prediction is established based upon a query compound's distance to the training set. logD7.4 predictions are also dynamically corrected with an associated library of compounds of continuously updated, experimentally measured logD7.4 values. A comparison of local models and associated libraries comprising separate ionization class subsets of compounds to compounds of a homogeneous ionization class reveals in this case that local models and libraries have no advantage over global models and libraries.     

Elastic scattering susceptibility of the high temperature superconductor Bi2Sr2CaCu2O(8+delta): a comparison between real and momentum space photoemission spectroscopies

The joint density of states of Bi2Sr2CaCu2O(8+delta) is calculated by evaluating the autocorrelation of the single particle spectral function A(k, omega) measured from angle resolved photoemission spectroscopy (ARPES). These results are compared with Fourier transformed (FT) conductance modulations measured by scanning tunneling microscopy (STM). Good agreement between the two experimental probes is found for two different doping values examined. In addition, by comparing the FT-STM results to the autocorrelated ARPES spectra with different photon polarization, new insight on the form of the STM matrix elements is obtained. This shines new light on unsolved mysteries in the tunneling data.