bluuebunny/crossref_metadata_2025_split huggingface dataset:
Proteomic analysis of proteins altered by dibenzoylmethane in human prostatic cancer LNCaP cells
Authors: Frazier Monica C. , Jackson Kimberly M. , Jankowska‐Stephens Ewa , Anderson Mark G. , Harris Wayne B. 
Published: July 2004

AbstractThis paper explores the use of proteomics as a tool for identifying protein species whose expression has been altered by dibenzoylmethane (DBM) in LNCaP cells. Although DBM, a constituent of licorice, has been shown to induce cell cycle arrest and regulate androgen receptor (AR) expression, the mechanism by which these events occur is unknown. To develop a better understanding of the effect of DBM on cancer cells, we analyzed changes in protein expression induced by DBM in LNCaP cells using two‐dimensional (2‐D) gel electrophoresis. The proteomic approach used to study LNCaP cells has lead to the analysis and identification of a number of protein species that increase or decrease as a result of exposure to DBM. In particular, twenty features were found to be differentially expressed in this study based on the quantitation of two separate 2‐D‐fluorescence difference gel electrophoresis analyses. Thirteen of these features were identified through mass spectrometric analysis. The intensity of 10 out of the 13 spots identified increased 2‐ to 3‐fold in response to 25 µM and 50 µM DBM and the remaining three spots decreased 2‐fold in response to the same DBM treatment. This study investigates proteomic changes induced by treatment of cells with DBM in order to develop a model for the mechanism by which DBM induces cell cycle arrest and represses AR expression.
Novel fluorinated polymers by radical polyaddition: Inspiration and progress
Authors: Narita Tadashi 
Published: July 2004

AbstractThe story of the outset and the growth of radical polyaddition of bisperfluoroisopropenyl derivatives [CF2C(CF3)R C(CF3) CF2] with several organic compounds possessing carbon–hydrogen bonds is described. The reaction afforded novel fluorinated polymers bearing such organic segments in polymer main chains as 1,4‐dioxane, diethyl ether, dimethoxyethane, 18‐crown‐6, triethylamine, glutaraldehyde, and alkanes which have never been supposed as direct starting compounds for preparation of polymers. The facile method for preparation of fluorinated hybrid polymers bearing alkylsilyl groups was developed with diethoxydimethylsilane and silsesquioxanes. Taking advantage of the high reactivity of the perfluoroisopropenyl group as a radical acceptor, self‐polyaddition and cyclopolymerization were investigated. Triethysilyl perfluoroisopropenyl ether [CF2 C(CF3)OSi(C2H5)3] was proved to be the most probable candidate for self‐polyaddition. Cyclopolymerization of perfluoroisopropenyl vinylacetate [CF2C(CF3) OCO CH2CH CH2] was investigated to afford polymers possessing five‐membered‐ring units in main chains. The interconversion of the unstable fluorinated carbon radical and the stable hydrocarbon radical had an important role in the reaction. The radical addition reaction presented herein may be developed for preparation of a wide variety of novel fluorinated polymers and organic compounds possessing functional groups. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4101–4125, 2004
Peculiarities of core–valence luminescence of CsBr and Rb1−xCsxBr crystals
Authors: Voloshinovskii A. , Pashuk I. , Chornodol'skyi Ya. , Stryganyuk G. , Rodnyi P. 
Published: July 2004

AbstractThe study of the emission and excitation spectra as well as the decay kinetics for the intrinsic core–valence luminescence of CsBr and the impurity core–valence luminescence of Rb1−xCsxBr solid solution under excitation in the 10–20 eV energy range has been carried out in the temperature range of 10–300 K. The change of coordination number for the Cs+ ion from n = 8 to n = 6 at the transformation of CsBr to Rb0.9Cs0.1Br solid solution is accompanied by significant modification of the core–valence luminescence spectra shape. The temperature dependence of the excitation efficiency in the threshold region observed for Rb0.9Cs0.1Br could be caused by the decay of the 5d3/2 excited state of the Cs+ ion due to thermostimulated electron transition from this state into the conduction band, which leads to the appearance of unbounded 5p Cs+ core holes. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Crystal field analysis of energy level structure of LiAlO2:Cr4+ and LiGaO2:Cr4+
Authors: Brik M. G. , Avram C. N. , Tanaka I. 
Published: July 2004

AbstractA detailed analysis of the energy level structure of tetrahedrally coordinated Cr4+ ion in lithium aluminium oxide LiAlO2 (γ‐phase) and lithium dioxogallate LiGaO2 is performed using the exchange charge model of crystal field theory. The parameters of the crystal field acting on the Cr4+ optical electrons are calculated from crystal structure data assuming C2 point symmetry of the [CrO4]4− impurity center in LiAlO2 and C1 point symmetry in LiGaO2. The energy levels obtained are compared with experimental absorption spectra and literature data on application of other crystal field models (the angular overlap model and Racah theory) to the considered crystals; good agreement with experimental data is demonstrated. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Effect of static electric field on the HF band structure of a guanine stack
Authors: Martinez A. , Bogar F. , Otto P. , Ladik J. 
Published: July 2004

AbstractPutting dipoles in different arrangements in the planes of the guanine molecules in a stack in DNA B conformation, in a model calculation the effect of the electric field on the ab initio Hartree–Fock band structure was studied. The calculations were performed at the stacking distances 3.12, 3.36, and 3.60 Å, respectively. The electric fields of the dipoles decreased the very broad conduction band of a guanine stack, caused some shifts in the band structure, but hardly influenced the fundamental gap. The computed effective masses at the physically interesting band edges correspond to the bandwidth changes due to the electric field. The electric field significantly influences the deformation potentials at the band edges and with it the transport properties of the guanine stack. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Quantum dynamics of clusters on experimental potential energy surfaces: Triplet and quintet O2‐O2 surfaces and dimers of para‐N2 with ortho‐ and para‐N2 and with O2
Authors: Carmona‐Novillo Estela , Pirani Fernando , Aquilanti Vincenzo 
Published: July 2004

AbstractThe potential energy surfaces for the dimers of the major components of the atmosphere had been previously characterized through a combined analysis of scattering experiments and second virial coefficient data and represented as a spherical harmonic expansion functional form, which permits us to describe the intermolecular features in the salient geometries of the complexes and account for the relative contributions arising from interaction components of different nature. The present quantum mechanical calculations on these surfaces extend our studies aimed at the full characterization of structure and internal dynamics of the clusters. Bound states and eigenfunctions are obtained. Here, we consider specific aspects of excited electronic states (such as the O2‐O2 triplet and quintet surfaces) and odd–odd and even–odd rotovibrational combination of levels of the N2‐N2 dimer, and the odd–odd combination for the N2‐O2 system, providing a guidance for the analysis of spectra of interest for atmospheric monitorings. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Resonant tunneling probabilities for an N‐terminal junction by the flux averaging method
Authors: Berman Lihu , Peskin Uri 
Published: July 2004

AbstractThe flux averaging method for time‐dependent calculations of resonant tunneling probabilities is generalized for the case of multichannel scattering by analyzing a generic model for resonant tunneling in a molecular junction with N terminals (N open scattering channels). The transmission probability between any two channels is expressed as a weighted average of time integrals over probability fluxes through different spatial contours. In the case of resonance scattering the transmission probability is shown to converge within a (short) direct‐scattering timescale, circumventing the problem of slow convergence of each one of the time integrals due to population of a long‐lived resonance state. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Simulation of liquid water using a high‐rank quantum topological electrostatic potential
Authors: Liem S. Y. , Popelier P. L. A. , Leslie M. 
Published: July 2004

AbstractFor the first time a potential based on high‐rank atomic multipole moments computed according to quantum chemical topology (QCT) has been used in molecular dynamics simulations. Completing earlier work on the performance of this QCT potential on small gas‐phase van der Waals complexes we now focus on the liquid structure of water. Other than the parameterL, which keeps track of the rank of the electrostatic interaction, the current QCT potential contains only two adjustable parameters of the Lennard–Jones type. A system of 216 water molecules was simulated including long‐range interactions represented by a high‐rank multipolar Ewald summation. High‐order multipolar interactions (L= 5) are essential to recover the typical features of a liquid‐like structure. Liquid simulations at five different temperatures showed a maximum in the density and a temperature profile that agrees fairly well with experiment. The density of simulated water at 300 K and 1 atm is about 0.1% off the experimental value, while the calculated potential energy of the liquid is within 3% of the experimental result. The experimental value of the self‐diffusion coefficient is underestimated by 35%. The value ofCpis overestimated by 40% and the thermal expansion coefficient α by 37%. The calculated correlation coefficients between the calculated QCT profile and the experimental profile ofgOO(r),gOH(r), andgHH(r) are 0.976, 0.970, and 0.972, respectively. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
The Dirac equation in the algebraic approximation. IX. Matrix Dirac–Hartree–Fock calculations for the HeH and BeH ground states using distributed Gaussian basis sets
Authors: Quiney H. M. , Glushkov V. N. , Wilson S. 
Published: July 2004

AbstractUsing large component basis sets of distributed s‐type Gaussian functions with positions and exponents optimized so as to support Hartree–Fock total energies with an accuracy approaching the sub‐μhartree level, Dirac–Hartree–Fock–Coulomb calculations are reported for the ground states of the open‐shell molecular systems HeH and BeH. The small component basis sets are obtained by applying the (strict) kinetic balance condition. Explicit expressions are given for the electron repulsion integrals required for relativistic atomic and molecular electronic structure calculation, using basis sets of distributed G‐spinors. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Hohenberg–Kohn theory including spin magnetism and magnetic fields
Authors: Kohn Walter , Savin Andreas , Ullrich Carsten A. 
Published: July 2004

AbstractBeginning with work by U. von Barth and L. Hedin in 1972 and continuing with recent papers in 2001 by K. Capelle and G. Vignale and by H. Eschrig and W. E. Pickett, questions have been raised about the meaning and validity of Hohenberg–Kohn theory when spin magnetism and/or magnetic fields are present. This article offers clarifications of some of these questions. In particular, it also concludes that these questions do not affect spin‐density functional theory for nondegenerate ground states as currently practiced. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Development and evaluation of symbolic model checker based on approximation for real‐time systems
Authors: Yamane Satoshi , Nakamura Kazuhiro 
Published: July 2004

AbstractIn this paper, the authors describe symbolic model checking for real‐time systems based on approximation. It is important to determine how to reduce the increase in verification cost due to timed‐state processing during symbolic model checking of a real‐time system. Verification techniques that use a set of approximate states instead of exact timed states in a reachability analysis of a real‐time system have been proposed to increase the effect in reducing the verification cost. Therefore, the authors propose a symbolic model checking technique for real‐time systems that uses a set of approximate states. The verification algorithm calculates the set of approximate states by performing fixpoint calculations based on an approximation corresponding to a computation tree logic (CTL) formula. The authors implemented the proposed algorithm and compared it with existing real‐time symbolic model checkers. They obtained results showing that the proposed technique is effective for verifying a large‐scale system that includes many clock variables. © 2004 Wiley Periodicals, Inc. Syst Comp Jpn, 35(10): 83–101, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/scj.10565
Robust object detection using a Radial Reach Filter (RRF)
Authors: Satoh Yutaka , Kaneko Shun'ichi , Niwa Yoshinori , Yamamoto Kazuhiko 
Published: July 2004

AbstractIn this paper the authors report on a new algorithm used to separate an object from its background using a background image. In the past, simple background subtraction has been used because of its low processing costs and ease of implementation. However, because this method depends solely on brightness patterns in the object and shadows, it has problems such as an inability to deal with poor lighting conditions and an inability to detect regions in which the brightness levels of the object and shadows are similar. In order to resolve these problems, in this paper the authors propose a new filter process called a Radial Reach Filter (RRF). The authors define a new statistic called a Radial Reach Correlation (RRC) used to determine on a pixel‐by‐pixel basis the similar and dissimilar areas between a background image and a current scene. They then evaluate the local texture at pixel‐level resolution while reducing the effects of variations in lighting. In addition, by introducing a mechanism to adjust the defined region adaptively based on local characteristics of the background image, the authors are able to work with various shadows and objects in the scene. The authors perform a theoretical evaluation and experiments using real images to demonstrate the validity of their proposed method. © 2004 Wiley Periodicals, Inc. Syst Comp Jpn, 35(10): 63–73, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/scj.10590
An efficient genetic algorithm for a fixed frequency assignment problem with limited bandwidth constraint
Authors: Matsui Shouichi , Watanabe Isamu , Tokoro Ken‐ichi 
Published: July 2004

AbstractIn this paper, we propose an efficient genetic algorithm (GA) for a fixed frequency assignment problem with limited bandwidth constraint. We propose a new GA‐based algorithm for the problem of minimizing the weighted sum of damage due to interference and damage due to blocked call, which was formulated by Jin and colleagues. The proposed algorithm, which uses a steady‐state GA that adaptively controls the mutation rate to search for an appropriate instruction sequence for a virtual machine performing the frequency assignment work, introduces a solution improvement algorithm based on a local search. The results of applying the proposed algorithm to benchmark problems, which show better performance than the existing GAs, indicate that this is an efficient algorithm. © 2004 Wiley Periodicals, Inc. Syst Comp Jpn, 35(10): 32–39, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/scj.10677
A group formation support system based on substitute goods in group buying
Authors: Matsuo Tokuro , Ito Takayuki 
Published: July 2004

AbstractIn electronic marketplaces, group buying is seen as an effective form of electronic commerce and a promising field for applying agent technologies. We study decision support systems for buyers in group buying. In group buying, when buyers cooperate with each other, a seller can discount the price of a good. In many existing group buying sites, some sellers deal in the same sort goods or their imitations. Buyers form coalitions for each item on sale. Buyers cannot always purchase goods at a lower price, because the buyers' subgroups are distributed. Buyers need to search hard to find goods they can purchase. In this paper, we propose a group buying marketplace on the Internet. In our marketplace, buyers can purchase goods at a lower price by forming coalitions. Our system can provide a service in which buyers are integrated based on their multiattribute preferences (utilities). Our system supports buyers' decision making by using the Analytic Hierarchy Process. We propose three methods for group integration. First, buyers trade in simple group buying. Second, all buyers are integrated. Third, some buyers are integrated. The advantages of our market are that buyers' multiattribute utilities are effectively expressed in group integration and buyers can purchase goods at a lower price. Buyers' payments are decided based on their degree of compromise. A successful seller can sell goods in their stock. © 2004 Wiley Periodicals, Inc. Syst Comp Jpn, 35(10): 23–31, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/scj.10695
A model of overt visual attention based on scale‐space theory
Authors: Satoh Shunji , Miyake Shogo 
Published: July 2004

AbstractThis paper proposes a vision model for object detection based on scale‐space theory, considering knowledge obtained in neurophysiology and human visual characteristics obtained in visual psychology. The proposed model is principally composed of (a) the early vision model and (b) the attention calculation model. In this paper, it is shown first that the visual characteristics can be described by a discretized scale space, considering their multichannel property, spatial nonuniformity, and orientation selectivity. The early vision model is formulated. Next, the attention calculation model and the operation algorithm are formulated on the basis of the knowledge obtained by scale‐space theory. The numerical experiments reveal that the proposed model has the following properties. (i) For objects with a high intensity difference, the center of overt attention moves to the center of the object. (ii) The spatial extent of overt/covert attention can be calculated adequately. (iii) The object is captured at the central region of the retina, where the resolution is the highest. Since the proposed model is based on scale‐space theory, the theory or model can be easily extended. There are other advantages from an engineering standpoint, such as simple structure, easy implementation, small computational requirements, and very few parameters to be adjusted. © 2004 Wiley Periodicals, Inc. Syst Comp Jpn, 35(10): 1–13, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/scj.10708
Hazard assessment of a simulated oil spill on intertidal areas of the St. Lawrence River with SPMD‐TOX
Authors: Johnson B. Thomas , Petty James D. , Huckins James N. , Lee Ken , Gauthier Joanne 
Published: July 2004

AbstractPhytoremediation in a simulated crude oil spill was studied with a “minimalistic” approach. The SPMD‐TOX paradigm—a miniature passive sorptive device to collect and concentrate chemicals and microscale tests to detect toxicity—was used to monitor over time the bioavailability and potential toxicity of an oil spill. A simulated crude oil spill was initiated on an intertidal freshwater grass‐wetland along the St. Lawrence River southwest of Quebec City, Quebec, Canada. Several phytoremediation treatments were investigated; to dissipate and ameliorate the spill, treatments included nutrient amendments with inorganic nitrogen sources (ammonium nitrate and sodium nitrate) and phosphate (super triple phosphate) with and without cut plants, with natural attenuation (no phytoremedial treatment) as a control. Sequestered oil residues were bioavailable in all oil‐treated plots in Weeks 1 and 2. Interestingly, the samples were colored and fluoresced under ultraviolet light. In addition, microscale tests showed that sequestered residues were acutely toxic and genotoxic, as well as that they induced hepatic P450enzymes. Analysis of these data suggested that polycyclic aromatic hydrocarbons were among the bioavailable residues sequestered. In addition, these findings suggested that the toxic bioavailable fractions of the oil spill and degradation products dissipated rapidly over time because after the second week the water column contained no oil or detectable degradation products in this riverine intertidal wetland. SPMD‐TOX revealed no evidence of bioavailable oil products in Weeks 4, 6, 8, and 12. All phytoremediation efforts appeared to be ineffective in changing either the dissipation rate or the ability to ameliorate the oil toxicity. SPMD‐TOX analysis of the water columns from these riverine experimental plots profiled the occurrence, dissipation, and influence of phytoremediation on the bioavailability and toxicity of oil products (parent or degradation products). © 2004 Wiley Periodicals, Inc. Environ Toxicol 19: 329–335, 2004.
Elemental sulfur: Toxicityin vivoandin vitroto bacterial luciferase,in vitroyeast alcohol dehydrogenase, and bovine liver catalase
Authors: Četkauskaitė Anolda , Pessala Piia , Södergren Anders 
Published: July 2004

AbstractThe aim of this research was to analyze the effects and the modes of action of elemental sulfur (S0) in bioluminescence and respiration ofVibrio fischericells and the enzymes crude luciferase, pure catalase, and alcohol dehydrogenase (ADH). Metallic copper removed sulfur and reduced the toxicity of acetone extracts of sediment samples analyzed in the bioluminescence test. The sulfur inhibition of cell bioluminescence was noncompetitive with decanal, the luciferase substrate; reversible, with maximum toxicity after 15 min (EC50= 11.8 μg/L); and almost totally recovered after 2 h.In vitropreincubation of crude luciferase extract with sulfur (0.28 ppm) weakly inhibited bioluminescence at 5 min, but at 30 min the inhibition reached 60%. Increasing the concentration of sulfur in the parts per million concentration rangein vitrodecreased bioluminescence, which was not constant, but depended on exposure time, and no dead‐end/total inhibition was observed. The redox state of enzymes in thein vitrosystem significantly affected inhibition. Hydrogen peroxide restored fully and the reducing agent dithiothreitol, itself toxic, restored only partially luciferase activity in the presence of sulfur. Sulfur (5.5 ppm) slightly inhibited ADH and catalase, and dithiothreitol enhanced sulfur inhibition. High sulfur concentrations (2.2 ppm) inhibited the bioluminescence and enhanced the respiration rate ofV. fischericells. Elemental sulfur data were interpreted to show that sulfur acted on at least a fewV. fischericell sites: reversibly modifying luciferase at sites sensitive to/protected by oxidative and reducing agents and by affecting electron transport processes, resulting in enhanced oxygen consumption. Sulfur together with an enzyme reducing agent inhibited the oxidoreductive enzymes ADH and catalase, which have SH groups, metal ion cofactors, or heme, respectively, in their active centers. © 2004 Wiley Periodicals, Inc. Environ Toxicol 19: 372–386, 2004.