Performance comparison of bilinear interpolation, bicubic interpolation, and B-spline interpolation in parallel phase-shifting digital holography

To improve the quality of reconstructed images, we apply bicubic interpolation and B-spline interpolation to parallel phase-shifting digital holography for the first time. The effectiveness of bilinear interpolation, bicubic interpolation, and B-spline interpolation in parallel phase-shifting digital holography is shown by a numerical simulation. In the simulation result, the application of bicubic interpolation and B-spline interpolation succeeded in decreasing the rootmean- square error of the reconstructed image by 12.6 and 11.9%, respectively.     

Effect of intensity quantization level in parallel phase-shifting digital holography

Parallel phase-shifting digital holography (PPSDH) enables the instantaneous recording of three-dimensional fields. The three-dimensional field can be reconstructed using a computer by numerical scalar wave propagation. In PPSDH, we record a space-division multiplexed hologram that includes the required phase retardation in the spatial distribution of the reference wave and then interpolate the data at blanked pixels for each phase retardation to obtain the complex amplitude distribution of an object wave. The recorded quality of the multiplexed hologram influences the reconstruction quality. In this study, we investigate the effect of the intensity quantization of a multiplexed hologram on the reconstruction quality. We compare the influence of intensity quantization in PPSDH with that in the conventional phase-shifting method. Random noise is also added to the multiplexed hologram. The required intensity quantization level is helpful for selecting a digital image sensor.     

A 6.5-year continuous record of sea surface salinity and seawater isotopic composition at Harbour of Ishigaki Island,southwest Japan

We produced continuous records of sea surface salinity and isotopic composition from 1998 to 2004 at Ishigaki Island, southwest Japan, and found clear seasonal variations in salinity and oxygen isotopic composition and increasing trends of them after 1999. These increasing trends could be principally due to the decreasing difference between local precipitation (P) and evaporation (E), as a result of the reduction of horizontal vapour transport from adjacent oceans. When samples collected in heavy rainfall events were excluded, the average Δδ¹⁸O/Δ salinity slope was obtained as 0.31, 0.35 in summer and 0.28 in winter. Estimated E/P ratios based on the isotopic box model are in good agreement with the ratios of independently estimated E to observed P.     

A boosting method for maximization of the area under the ROC curve

We discuss receiver operating characteristic (ROC) curve and the area under the ROC curve (AUC) for binary classification problems in clinical fields. We propose a statistical method for combining multiple feature variables, based on a boosting algorithm for maximization of the AUC. In this iterative procedure, various simple classifiers that consist of the feature variables are combined flexibly into a single strong classifier. We consider a regularization to prevent overfitting to data in the algorithm using a penalty term for nonsmoothness. This regularization method not only improves the classification performance but also helps us to get a clearer understanding about how each feature variable is related to the binary outcome variable. We demonstrate the usefulness of score plots constructed componentwise by the boosting method. We describe two simulation studies and a real data analysis in order to illustrate the utility of our method.     

Algebraic properties of isometries between groups of invertible elements in Banach algebras

We prove that an isometry T between open subgroups of the invertible groups of unital Banach algebras A and B is extended to a real-linear isometry up to translation between these Banach algebras. While a unital isometry between unital semisimple commutative Banach algebras need not be multiplicative, we prove in this paper that if A is commutative and A or B are semisimple, then (T(eA))⁻¹T is extended to an isometric real algebra isomorphism from A onto B. In particular, A−1 is isometric as a metric space to B−1 if and only if they are isometrically isomorphic to each other as metrizable groups if and only if A is isometrically isomorphic to B as a real Banach algebra; it is compared by the example of ?elazko concerning on non-isomorphic Banach algebras with the homeomorphically isomorphic invertible groups. Isometries between open subgroups of the invertible groups of unital closed standard operator algebras on Banach spaces are investigated and their general forms are given.     

Fullerene- and pyromellitdiimide-appended tripodal ligands embedded in light-harvesting porphyrin macrorings

Three new tripyridyl tripodal ligands appended with either fullerene or pyromellitdiimide moieties, named C(60)-s-Tripod, C(60)-l-Tripod, and PI-Tripod, were synthesized and introduced into a porphyrin macroring N-(1-Zn)(3) (where 1-Zn = trisporphyrinatozinc(II)). From UV-vis absorption and fluorescence titration data, the binding constants of C(60)-s-Tripod, C(60)-l-Tripod, and PI-Tripod with N-(1-Zn)(3) in benzonitrile were estimated to be 3 × 10(8), 1 × 10(7), and 2 × 10(7) M(-1), respectively. These large binding constants denote multiple interactions of the ligands to N-(1-Zn)(3). The binding constants of the longer ligand (C(60)-l-Tripod) and the pyromellitdiimide ligand (PI-Tripod) are almost the same as those without the fullerene or pyromellitdiimide groups, indicating that they interact via three pyridyl groups to the porphyrinatozinc(II) coordination. In contrast, the larger binding constants and the almost complete fluorescence quenching in the case of the shorter ligand (C(60)-s-Tripod) indicate that the interaction with N-(1-Zn)(3) is via two pyridyl groups to the porphyrinatozinc(II) coordination and a π-π interaction of the fullerene to the porphyrin(s). The fluorescence of N-(1-Zn)(3) was quenched by up to 80% by the interaction of C(60)-l-Tripod. The nanosecond transient absorption spectra showed only the excited triplet peak of the fullerene on selective excitation of the macrocyclic porphyrins, indicating that energy transfer from the excited N-(1-Zn)(3) group to the fullerenyl moiety occurs in the C(60)-l-Tripod/N-(1-Zn)(3) composite. In the case of PI-Tripod, the fluorescence of N-(1-Zn)(3) was quenched by 45%. It seems that the fluorescence quenching probably originates from electron transfer from the excited N-(1-Zn)(3) group to the pyromellitdiimide moiety.     

Selective adsorption of atomic hydrogen on a h-BN thin film

The adsorption of atomic hydrogen on hexagonal boron nitride (h-BN) is studied using two element-specific spectroscopies, i.e., near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and x-ray photoelectron spectroscopy (XPS). B K-edge NEXAFS spectra show a clear change in the energy region of the π* band before and after reaction with atomic deuterium. On the other hand, N K-edge NEXAFS spectra show only a little change. B 1s XPS spectra show a distinct component at the low binding energy side of a main component, while N 1s XPS spectra show peak broadening at the high binding energy side. These experimental results are analyzed by the discrete variational Xα method with a core-hole effect and are explained by a model in which hydrogen atoms are preferentially adsorbed on the B sites of h-BN. Based on the experimental and theoretical results, we propose a site-selective property of BN material on adsorption of atomic hydrogen.     

Linear polystyrene-stabilized palladium nanoparticles-catalyzed C-C coupling reaction in water

Linear polystyrene-stabilized PdO nanoparticles (PS-PdONPs) were prepared in water by thermal decomposition of Pd(OAc)(2) in the presence of polystyrene. The immobilization degree of palladium was dependent on the molecular weight of polystyrene, while the size of the Pd nanoparticles was not. Linear polystyrene-stabilized Pd nanoparticles (PS-PdNPs) were also prepared using NaBH(4) and phenylboronic acid as reductants. The catalytic activity of PS-PdONPs was slightly higher than that of PS-PdNPs for Suzuki coupling reaction in water. PS-PdONPs exhibited high catalytic activity for Suzuki and copper-free Sonogashira coupling reactions in water and recycled without loss of activity.     

Crystal molecular dynamics simulations to speed up MM/PB(GB)SA evaluation of binding free energies of di-mannose deoxy analogs with P51G-m4-Cyanovirin-N

Complexes of two Cyanovirin-N (CVN) mutants, m4-CVN and P51G-m4-CVN, with deoxy di-mannose analogs were employed as models to generate conformational ensembles using explicit water Molecular Dynamics (MD) simulations in solution and in crystal environment. The results were utilized for evaluation of binding free energies with the molecular mechanics Poisson-Boltzmann (or Generalized Born) surface area, MM/PB(GB)SA, methods. The calculations provided the ranking of deoxy di-mannose ligands affinity in agreement with available qualitative experimental evidences. This confirms the importance of the hydrogen-bond network between di-mannose 3'- and 4'-hydroxyl groups and the protein binding site B(M) as a basis of the CVN activity as an effective HIV fusion inhibitor. Comparison of binding free energies averaged over snapshots from the solution and crystal simulations showed high promises in the use of the crystal matrix for acceleration of the conformational ensemble generation, the most time consuming step in MM/PB(GB)SA approach. Correlation between energy values based on solution versus crystal ensembles is 0.95 for both MM/PBSA and MM/GBSA methods.     

Bridged nucleic acid conjugates at 6'-thiol: synthesis, hybridization properties and nuclease resistances

The bridged nucleic acid (BNA) containing a thiol at the 6'-position in the bridged structure was synthesized from the disulfide-type BNA and conjugated with various functional molecules via the thioether or the disulfide linkage post-synthetically and efficiently in solution phase. The disulfide-linked conjugate was cleaved under reductive conditions derived from glutathione and an oligonucleotide bearing a free thiol was released smoothly. Conjugated functional molecules had great effects on duplex stability with the DNA complement. In contrast, the molecules little influenced the stability with the RNA complement. Moreover, the oligonucleotides with functional groups at the 6'-position had as high or higher resistances against 3'-exonuclease than phosphorothioate oligonucleotide (S-oligo).