Categorical Exploratory Data Analysis: From Multiclass Classification and Response Manifold Analytics Perspectives of Baseball Pitching Dynamics

All features of any data type are universally equipped with categorical nature revealed through histograms. A contingency table framed by two histograms affords directional and mutual associations based on rescaled conditional Shannon entropies for any feature-pair. The heatmap of the mutual association matrix of all features becomes a roadmap showing which features are highly associative with which features. We develop our data analysis paradigm called categorical exploratory data analysis (CEDA) with this heatmap as a foundation. CEDA is demonstrated to provide new resolutions for two topics: multiclass classification (MCC) with one single categorical response variable and response manifold analytics (RMA) with multiple response variables. We compute visible and explainable information contents with multiscale and heterogeneous deterministic and stochastic structures in both topics. MCC involves all feature-group specific mixing geometries of labeled high-dimensional point-clouds. Upon each identified feature-group, we devise an indirect distance measure, a robust label embedding tree (LET), and a series of tree-based binary competitions to discover and present asymmetric mixing geometries. Then, a chain of complementary feature-groups offers a collection of mixing geometric pattern-categories with multiple perspective views. RMA studies a system’s regulating principles via multiple dimensional manifolds jointly constituted by targeted multiple response features and selected major covariate features. This manifold is marked with categorical localities reflecting major effects. Diverse minor effects are checked and identified across all localities for heterogeneity. Both MCC and RMA information contents are computed for data’s information content with predictive inferences as by-products. We illustrate CEDA developments via Iris data and demonstrate its applications on data taken from the PITCHf/x database.     

A frequency bin-wise nonlinear masking algorithm in convolutive mixtures for speech segregation

A frequency bin-wise nonlinear masking algorithm is proposed in the spectrogram domain for speech segregation in convolutive mixtures. The contributive weight from each speech source to a time-frequency unit of the mixture spectrogram is estimated by a nonlinear function based on location cues. For each sound source, a non-binary mask is formed from the estimated weights and is multiplied to the mixture spectrogram to extract the sound. Head-related transfer functions (HRTFs) are used to simulate convolutive sound mixtures perceived by listeners. Simulation results show our proposed method outperforms convolutive independent component analysis and degenerate unmixing and estimation technique methods in almost all test conditions.     

Enantiomeric quantification of (S)-(+)-methamphetamine in urine by an immunoaffinity column and liquid chromatography-electrospray-mass spectrometry

A method using an immunoaffinity column (IAC) and liquid chromatography-electrospray ionization mass spectrometry (LC/MS) for on-line detecting the presence of MA in the effluent was developed for the quantitative and enantiomeric determination of (S)-(+)-methamphetamine (d-MA) in urine. The IAC was made in our laboratory and utilized in the LC/MS to simultaneously extract and separate enantiomers of MA from urine samples. An aqueous ammonium acetate buffer was used as the mobile phase. Urine samples were spiked with racemic deuterated methamphetamine (MA-d₁₄) as internal standard (IS), filtered through a membrane, and injected into the LC/MS without any further pre-treatment. Protonated molecular ion of MA and MA-d₁₄ (m/z 150 and 164) were isolated and further fragmented, the respective product ions, m/z 119 and 130, were collected for quantitative determination. This is an improvement of our previous method (A.C. Lua, Tsong-Yung Chou, J. Chromatogr. A 967 (2002) 191). In the previous method, MA was separated with HPLC, the efflux was fractionated and each fraction was either determined with an immunoassay or GC/MS. Monitoring of MA in the efflux is tedious and time consuming. Urine samples spiked with different concentrations of d-MA were measured by this method. A linear relationship exists in the 150-1050 ng/mL range, and the detection limit (defined as signal-to-noise ratio 3) of d-MA was determined to be 18 ng/mL. The linearity of the method for d-MA can be described by the equation (Y = 1.415 × 10⁻³X + 0.034, correlation coefficient: r² = 0.999). Within run, accuracy and precision (n = 6, relative error: −7.2 to +4.0% and relative standard deviation: 3.8-9.3%) of the method are fairly good.     

Prediction of protein subcellular location using hydrophobic patterns of amino acid sequence

The function of eukaryotic protein is closely correlated with its subcellular location. The number of newly found protein sequences entering into data banks is rapidly increasing with the success of human genome project. It is highly desirable to predict a protein subcellular automatically from its amino acid sequence. In this paper, amino acid hydrophobic patterns and average power-spectral density (APSD) are introduced to define pseudo amino acid composition. The covariant-discriminant predictor is used to predict subcellular location. Immune-genetic algorithm (IGA) is used to find the fittest weight factors which are very important in this method. As such, high success rates are obtained by both self-consistency test (86%) and jackknife test (73%). More than 80% predictive accuracy is achieved in independent dataset test. The results demonstrate that the proposed method is practical. And, the method illuminates that the protein subcellular location can be predicted from its surface physio-chemical characteristic of protein folding.     

Iron phthalocyanine oligomer/Fe3O4 hybrid microspheres and their microwave absorption property

The novel nano-scale iron phthalocyanine oligomer/Fe₃O₄ (FePc/Fe₃O₄) hybrid microspheres were synthesized from iron phthalocyanine oligomer and FeCl₃·6H₂O via a solvent-thermal crystallization route. The morphology and structure of the hybrid microspheres were characterized by Fourier transform infrared spectrophotometer, X-ray diffraction, scanning electron microscopy and transmission electron microscopy. These results showed that the hybrids were monodisperse microspheres and the morphology can be adjusted by controlling pre-polymerization time. The saturation magnetization increased with increase in the pre-polymerization time, while the coercivities decreased. The FePc/Fe₃O₄ hybrid microspheres exhibited novel microwave electromagnetic properties: the dielectric loss was enhanced when the pre-polymerization time increased and a new microwave loss peak appeared at high frequency. The microwave absorbing properties enhanced with increase in the pre-polymerization time and a maximum reflection loss of −29.7 dB was obtained at 11.7 GHz with 6 h of pre-polymerization time when the matching thickness was 3.0 mm. The novel hybrid materials are believed to have potential applications as microwave absorbing materials.     

ESR Study on Scavenging Effect of Squalene on Free Radicals in Mainstream Cigarette Smoke

Radicals in mainstream cigarette smoke (MCS) have been proposed to contribute to the harm caused by cigarette smoking. In the present study, we used natural antioxidant, squalene, to treat cigarette filters and tobacco for scavenging gas- and particulate-phase free radicals in MCS. The scavenging activities of cigarette filter and tobacco containing squalene against gas and particulate-phase free radicals were detected and quantified using spin-trapping or directly electron spin resonance spectroscopy method. The results revealed that squalene could significantly scavenge gas- and particulate-phase free radicals in MCS in a dose-dependent manner. The radical-scavenging activity of cigarette filter treatment was higher than that of tobacco treatment, irrespective of either gas-phase free radicals, or particulate-phase free radicals in MCS. Among them, 3 mg squalene/filter treatment showed that the highest scavenging effects against gas- and particulate-phase free radicals were 35.9 and 35.4%, respectively. The use of squalene as potential scavenger for reducing free radicals in cigarette smoke is discussed.     

Fluorescent organic nanoparticles of benzofuran-naphthyridine linked molecules: formation and fluorescence enhancement in aqueous media

[structure: see text] Ethynyl-linked benzofuran-naphthyridine compounds show high-yield fluorescence with solvatochromic properties. One of the compounds, ABAN, has successfully formed fluorescent organic nanoparticles (FONs), for which the photophysical properties such as the spectral features and intensity are remarkably different from those at the molecular level (solution) and in bulk material. The results are tentatively rationalized by the FONs inducing coplanarization of the benzofuran-naphthyridine molecule to extend its effective conjugation length and hence increase the oscillator strength.     

Self-calibration of a phase-shifting adapter for Fizeau interferometers

Phase-shifting interferometers with three piezoelectric transducers (PZTs) on their phase-shifting adapter (PSA) are widely used in precision measurement. The guarantee of the PSA to stretch as a flat is very important to the accuracy of the measurement. In this paper, we propose a systematic self-calibration method to calibrate the different displacements of the PZTs so that the PSA can be moved evenly as a flat. The proposed method uses only the interference patterns to calibrate the three PZTs and information about the exact position of the PZTs and the instrument parameters of the interferometer are not required. Experimental results show that, after calibration by the proposed method, the deviation of the measured phase shift error could be reduced about 43.1 times from 3.492 to 0.081°.     

Growth and optical properties of high-density InN nanodots

High density InN/GaN nanodots were grown by pulsed mode (PM) metal–organic chemical vapor deposition (MOCVD). InN nanodots density of up to ∼5×10¹⁰ cm⁻² at a growth temperature of 550 °C was achieved. The high diffusion activation energy of 2.65 eV due to high NH₃ flow rate generated more reactive nitrogen adatoms on the growth surface, and is believed to be the main reason for the growth of high density InN nanodots. In addition, an anomalous temperature dependence of the PL peak energy was observed for high density InN nanodots. The high carrier concentration, due to high In vacancy (V_In) in the InN nanodots, thermally agitated to the conduction band. As the measurement temperature increased, the increase of Fermi energy resulted in blue-shifted PL peak energy. From the Arrhenius plot of integrated PL intensity, the thermal activation energy for the PM grown InN nanodots was estimated to be E_a∼51 meV, indicating strong localization of carriers in the high density InN nanodots.     

Engineerable compression of ultrashort pulses by use of second-harmonic generation in chirped-period-poled lithium niobate

We demonstrate the use of an aperiodic quasi-phase-matching (QPM) grating to generate second-harmonic pulses that are stretched or compressed relative to input pulses at the fundamental frequency. We frequency doubled an externally chirped erbium-doped fiber laser generating 17-ps (FWHM) pulses at 1560nm to produce near-transform-limited 110-fs (FWHM) pulses at 780nm by use of a 5-cm-long lithium niobate crystal poled with a QPM grating chirped from an 18.2- to a 19.8-microm period.