Variable selection in multivariate methods using global score estimation

A variable selection method using global score estimation is proposed, which is applicable as a selection criterion in any multivariate method without external variables such as principal component analysis, factor analysis and correspondence analysis. This method selects a subset of variables by which we approximate the original global scores as much as possible in the context of least squares, where the global scores, e.g. principal component scores, factor scores and individual scores, are computed based on the selected variables. Global scores are usually orthogonal. Therefore, the estimated global scores should be restricted to being mutually orthogonal. According to how to satisfy that restriction, we propose three computational steps to estimate the scores. Example data is analyzed to demonstrate the performance and usefulness of the proposed method, in which the proposed algorithm is evaluated and the results obtained using four cost-saving selection procedures are compared. This example shows that combining these steps and procedures yields more accurate results quickly.     

Radial and non-radial decompositions of profit change: With an application to Indian banking

Grifell-Tatje and Lovell [Grifell-Tatje, E., Lovell, C.A.K., 1999. Profits and productivity. Management Science 45, 1177–1193] made significant contributions to the literature on the extended radial DEA framework by decomposing profit change into six mutually exclusive components. Their approach, however, poses two basic problems. First, the radial estimates on these components might give conflicting signals about the direction of profit change after the full radial efficiencies are achieved when slacks are present. Second, evaluations of these components, using base-period prices as weights, can be potentially misleading. To address these concerns, we first introduce non-radial DEA models, and then, provide a few strong theoretical arguments in favor of using as weights either current-period prices or an average price covering both periods to value the contributions of each of these components. The Indian banking sector is taken as a case study to illustrate the radial and non-radial decompositions of profit change so as to empirically examine the role of competition on profit change and its drivers. Our broad empirical results are as follows: first, radial and non-radial models yield diametrically opposite results on the contributions of various components. Second, the increasing efficiency change trends in all ownership groups after 2002 indicate that the Government reform process instituted on the banking industry has had a favorable effect on the performance of the Indian banking sector. Third, despite the fact that nationalized banks are the oldest banks, their output and resource allocation behaviors do not reflect their learning experience.     

A novel method for thiiranation of alkenes with 1,1′-dithiobis(1H-1,2,4-triazole)

Eight alkenes reacted with 1,1′-dithiobis(1H-1,2,4-triazole) 4 at −15 °C to form the corresponding thiiranes in moderate to good yields. The thiiranations of anti- and syn-9,9′-bibenzonorbornenylidenes and cis- and trans-cyclooctenes with 4 proceeded with retention of configuration of the starting alkenes.     

Study of alkyl organic monolayers with different molecular chain lengths directly attached to silicon

Alkyl organic monolayers with different alkyl molecular chain lengths directly attached to silicon were prepared at 160 degrees C from 1-decene (C10), 1-dodecene (C12), 1-tetradecene (C14), 1-hexadecene (C16), and 1-octadecene (C18). These monolayers were characterized on the basis of water contact angle measurement, ellipsometry, X-ray reflectivity (XR), X-ray photoelectron spectroscopy (XPS), and grazing incidence X-ray diffraction (GIXD) to elucidate the effect of the molecular chain length on the molecular arrangement and packing density of the monolayers. Water contact angle and XPS measurements showed that C12, C14, and C16 monolayers have a comparably higher quality, while the quality of C10 and C18 monolayers is worse. GIXD revealed that the alkyl monolayers directly attached to the Si were all amorphously structured regardless of their alkyl chain length. The amorphous structure of the alkyl monolayers could be attributed to the rigid Si-C bonding, low quality of hydrogen-terminated silicon substrate, and/or low mobility of physisorbed molecules.     

Measurement of the branching fraction, polarization, and asymmetry for decays, and determination of the Cabibbo-Kobayashi-Maskawa phase

We have measured the branching fraction , longitudinal polarization fraction f(L), and CP asymmetry coefficients A and S for B(0) --> rho(+) rho(-) decays with the Belle detector at the KEKB e(+) e(-) collider using 253 Fb(-1) of data. We obtain B = [22.8 +/- 3.8(stat)(+2.3)(-2.6)(syst)] x 10(-6), f(L) = 0.941 (+0.034)(-0.040)(stat) +/- 0.030(syst). A = 0.00 +/- 0.30(stat) +/- 0.09(syst) and S = 0.08 +/- 0.09(syst). These values are used to constrain the Cabibbo-Kobayashi-Maskawa phase ; the solution consistent with the standard model is phi(2) = (88 +/- 17) degrees or 59 degrees < phi(2) < 115 degrees at 90% C.L.     

Observation of a chi(c2)' candidate in gamma gamma --> DD production at belle

We report on a search for new resonant states in the process gamma gamma --> DD. A candidate C-even charmonium state is observed in the vicinity of 3.93 GeV/c2. The production rate and the angular distribution in the gamma gamma center-of-mass frame suggest that this state is the previously unobserved chi(c2)', the 2(3)P2 charmonium state.     

Role of intracellular contents to facilitate supercooling capability in beech (Fagus crenata) xylem parenchyma cells

In order to find the possible role of intracellular contents in facilitating the supercooling capability of xylem parenchyma cells, changes in the temperature of supercooling levels were compared before and after the release of intracellular substances from beech xylem parenchyma cells by DTA. Various methods were employed to release intracellular substances from xylem parenchyma cells and all resulted in a reduction of supercooling ability. It was concluded that the reduction of supercooling ability primarily resulted from changes of intracellular conditions, including the release of intracellular contents or their mixing with extracellular solutions, rather than due to changes of cell wall structures. It is therefore suggested that any unidentified intracellular contents may function to facilitate supercooling capability in xylem parenchyma cells.     

Dimensional dependence of electronic structure of fullerene polymers

Fullerene polymers made of C(60) are systematically investigated by means of a first-principles pseudopotential approach within the local density approximation of the density functional theory. We assume 10 different structures of fullerene polymers. The first three are C(60) polymer networks cross-linked by [2+2] cycloadditional four-membered rings, and the other seven are composed of peanut-shaped fused C(60) polymer chains cross-linked by either seven-membered rings or eight-membered rings. Owing to the overlap of wave functions as well as the hybrid networks of sp(2)-like (3-fold coordinated) and sp(3)-like (4-fold coordinated) carbon atoms, the electronic structure is considerably different from each other. We find that the resulting electronic structure is either semiconductor or semimetal depending on the spatial dimensionality of materials.     

Simplified gradient generator for micro- and nano-liquid chromatography

We have developed a simple device to generate gradient elution profiles using split tubing array (STAR) units for micro- and nano-HPLC. This gradient device consists of a delivery pump, a splitter, tubes in parallel, and a relatively large-volume mixing chamber. In the mixing chamber, an initially filled water-rich solvent is adjusted to an organic-rich solvent by delivery of appropriate components through the split paths, in which the flow rate and residence time are controlled by the sizes of the tubes employed. A program was developed to describe the output gradient profiles, and the predicted gradient profiles were highly consistent with the observed ones. A linear gradient generated by this STAR system was successfully applied to micro-HPLC systems for separation of digested peptides derived from serum albumin with sufficient reproducibility. Further miniaturization of STAR systems for nano-HPLC coupled with tandem mass spectrometry was accomplished to separate digested peptides from serum albumin with a reproducibility of retention times of better than 0.2%, and the obtained spectra from the well-separated chromatographic peaks allowed protein identification with high confidence by protein database searching. We believe that this simple and reproducible gradient system using an isocratic pump will be especially advantageous for nanoLC-MS, instead of flow-controlled gradient pumps.     

The Bogorol family of antibiotics: template-based structure elucidation and a new approach to positioning enantiomeric pairs of amino acids

The sequence positions of d and l Leu and Lys residues in bogorol A (1) have been defined by a simple and novel approach that utilizes small amounts of sample and focuses on detecting the order in which amino acids are liberated from the parent peptide during acid-catalyzed hydrolysis. This technique builds on a previously established relationship between the steric and electronic features of amino acids and their predilection for acidic liberation from polypeptides via dipeptides. The results, which complete the structure of bogorol A, have been confirmed by traditional degradation experiments. Utilizing the knowledge of the structure of bogorol A (1) as a template, we rapidly elucidated the structures of bogorols B-E (2-5) via analysis of ESI-MS and ESI-MS/MS data and GC analysis of degradation products. The bogorol cationic peptide antibiotics contain a number of unusual structural features, which include the reduction of the C-terminal residue to valinol, an N-terminal residue of 2-hydroxy-3-methylpentanoic acid, the incorporation of four d amino acids, and the presence of a dehydroamino acid. Bogorols show selective and relatively potent activity against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus spp., as well as moderate activity against Escherichia coli.