bluuebunny/crossref_metadata_2025_split huggingface dataset:
Expression of Toll‐like receptor 4 in the prostate gland and its association with the severity of prostate cancer
Authors: Gatti Gerardo , Quintar Amado A. , Andreani Virginia , Nicola Juan P. , Maldonado Cristina A. , Masini‐Repiso Ana Maria , Rivero Virginia E. , Maccioni Mariana 
Published: June 2009

AbstractBACKGROUNDChronic inflammation has been postulated to be an important driving force to prostate carcinoma. Toll‐like receptors (TLRs) compose a family of receptors mainly expressed on immune cells. Recently, functional TLRs have been shown to be also expressed in numerous cancer cells, but their significance has only recently begun to be explored. The purpose of this study was to investigate the putative role of TLR4 expression in prostate carcinoma.METHODSTo determine if there is an association between TLR4 expression and the malignancy of the tumor, 35 prostate carcinoma samples showing different Gleason grades were analyzed by immunohistochemistry. Also, to explore the functionality of the receptors expressed on the epithelium, we analyzed the type of cytokine response elicited and the signaling pathways involved after TLR4 triggering in the human prostate adenocarcinoma cell line, DU‐145.RESULTSTLR4 is expressed in the normal prostate gland in both stroma and epithelium. TLR4 expression significantly drops to negative values as the Gleason grade augments in both, stroma and epithelium. Moreover, DU‐145 cells also exhibit TLR4 expression and respond to TLR4 agonists, activating the transcription factor NF‐κB and increasing the expression of pro‐inflammatory mediators. Inhibition of the molecular adaptors MyD88 and MAL by overexpression of dominant‐negative mutants diminished LPS‐induced activation of NF‐κB, showing that DU‐145 cells activate the NF‐κB through MyD88‐dependent signaling pathways.CONCLUSIONSWe hypothesize that TLR4 in prostate cells could synergize with innate immune cells contributing to an eventual inflammatory process, which in genetically prone individuals could promote carcinogenesis. Prostate 69: 1387–1397, 2009. © 2009 Wiley‐Liss, Inc.
Expression of multidrug resistance proteins in prostate cancer is related with cell sensitivity to chemotherapeutic drugs
Authors: Sánchez Catherine , Mendoza Patricia , Contreras Héctor R. , Vergara Jorge , McCubrey James A. , Huidobro Christian , Castellón Enrique A. 
Published: June 2009

AbstractBACKGROUNDMultidrug resistance (MDR) proteins have been associated with the lack of chemotherapy response. Expression of these proteins has been described in the prostate, but there is no information about their role in the chemotherapy response of prostate cancer (PC). We studied the gene and protein expression of MDR proteins in primary cell cultures from PC tumors and PC cell lines, their relationship with chemotherapy and their effects on cell survival.METHODSPrimary cell cultures from PC were obtained from samples provided by our Institutional Hospital. Cell lines LNCaP, PC3, and DU145 were also examined. Cells were treated during 72 hr with several chemotherapeutic drugs. Protein and mRNA expressions of P‐glycoprotein (P‐Gp), MRP1 and LRP, before and after drug treatment, were evaluated by RT‐PCR and Western blot analyses. The effect on cell survival was evaluated by proliferation assays (MTT), and cell cycle and apoptosis by flow cytometry.RESULTSPrimary PC cultures exhibited higher MDR protein expression and lower drug sensitivity than cell lines, in which P‐Gp was not detected. Docetaxel and mitoxantrone displayed the highest apoptotic effect. Exposure to chemotherapeutic drugs increased apoptosis, cell cycle arrest, and MDR expression. Long‐term treatment with doxorubicin diminished apoptosis elicited by all drugs examined in this study, suggesting a cross‐resistance phenomenon.CONCLUSIONSLow chemotherapy response observed in PC primary cultures could be explained, in part, by the high levels of MDR proteins (intrinsic MDR phenotype), and also, by their over‐expression induced after long‐term exposure to drugs (acquired MDR phenotype), which increase treatment resistance. Prostate 69: 1448–1459, 2009. © 2009 Wiley‐Liss, Inc.
Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase‐2: Molecular dynamics and QM/MM calculations
Authors: Díaz Natalia , Suárez Dimas , Suárez Ernesto 
Published: June 2009

AbstractHerein, we examine computationally the binding and hydrolysis reaction of the MMP‐2 enzyme with two peptide substrates selected by the enzyme from a phage peptide library. Molecular dynamics simulations of the Michaelis complexes (25 ns) allow us to characterize the main enzyme/substrate contacts. Subsequently MM‐PBSA calculations using independent trajectories for the complexes and the free substrates provide relative binding energies in good agreement with the experimental KM results. Computational alanine scanning analyses of the enzyme/substrate interaction energies confirm the relevance of the P3, P2, and P1′ side chains for ligand binding. Finally, the hydrolysis of both peptides taking place at the MMP‐2 active site is explored by means of hybrid quantum mechanical/molecular mechanics calculations. The computed reaction mechanisms result in rate‐determining energy barriers being in consonance with the experimental kcat values. Overall, the computational protocol seems to capture the subtle differences in binding and catalysis experimentally observed for the two peptide substrates. Some implications of our results for the future design of novel and more specific MMP‐2 inhibitors are also discussed. Proteins 2010. © 2009 Wiley‐Liss, Inc.
Doped single‐walled carbon nanotubes and low‐mobility graphene: impact of disorder and dopants on electronic magnetotransport
Authors: Krstić Vojislav , Glerup Marianne , Hansel Stefan , Lafkioti Myrsini 
Published: June 2009

AbstractThe impact of disorder introduced by intentional and unintentional (environmental) dopants on the charge transport has been investigated in boron‐ and nitrogen‐doped single‐walled carbon nanotubes, and in low‐mobility monolayer graphene. For doped single‐walled nanotubes a theoretically not predicted plateau‐like region and onsets of oscillatory behaviour in the conductance for boron‐ and nitrogen‐doped nanotubes were observed, respectively. The oscillatory behaviour suggests interplay between the dopants and the helical movement of charges along the tube due to the magnetic field. For low‐mobility graphene the simultaneous appearance of the filling‐factor 2 and 3 plateau was observed in the Quantum‐Hall regime. This is attributed to an electron‐spin–isospin interaction mediated through the high disorder. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Macroscale alignment of CdSe/CdS nanorods by porous anodic alumina templates
Authors: Lutich A. , Carbone L. , Volchek S. , Yakovtseva V. , Sokol V. , Manna L. , Gaponenko S. 
Published: June 2009

AbstractCentimeter‐scale assemblies of highly ordered CdSe/CdS core‐shell nanorods have been successfully fabricated by infiltration of the nanorods into the pores of a transparent porous anodic alumina membrane. The high degree of the nanorod ordering is proved by the demonstration of both highly polarized PL and absorption of the aligned nanorods. The measured PL linear polarization degree is 53%. We have found that both the elongated CdS shell and the nearly spherical CdSe core exhibit a strong dependence of absorption on polarization angle with respect to the nanorod axis. We conclude that both CdS shell and CdSe core absorb more efficiently light with polarization along the axis of the nanorod. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Probing disorder and charged impurities in graphene by Raman spectroscopy
Authors: Casiraghi Cinzia 
Published: June 2009

AbstractDisorder and doping can strongly affect the properties of graphene. Here we analyze these effects on several samples by Raman spectroscopy. In particular, we show that pristine and unprocessed graphene samples deposited on silicon, covered with a thin silicon oxide layer, show strong variations in their Raman spectra, even in absence of disorder. The variation in the Raman parameters is assigned to charged impurities. This shows that as‐deposited graphene is unintentionally doped, reaching charge concentrations up to 1013 cm–2 under ambient conditions. The doping varies from sample to sample and the charges are inhomogeneously distributed on a submicron scale. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Antiplasmodial agents from the Bhutanese medicinal plant Corydalis calliantha
Authors: Wangchuk Phurpa , Bremner John B. , Samten  , Rattanajak Roonglawan , Kamchonwongpaisan Sumalee 
Published: June 2009

AbstractThe alkaloidal components of the Bhutanese medicinal plant Corydalis calliantha Long, which is used for the treatment of malaria, have been assessed. Four known alkaloids, protopine (1), scoulerine (2), cheilanthifoline (3) and stylopine (4) are reported from this plant for the first time. The protopine alkaloid, protopine, and the tetrahydroprotoberine alkaloid, cheilanthifoline, showed promising in vitro antiplasmodial activities against Plasmodium falciparum, both wild type (TM4) and multidrug resistant (K1) strains with IC50 values in the range of 2.78–4.29 µm. Such activity had not been demonstrated previously for cheilanthifoline. The results thus support, at a molecular level, the clinical use of this plant in the Bhutanese traditional medicine and identified cheilanthifoline as a potential new antimalarial drug lead. Copyright © 2009 John Wiley & Sons, Ltd.
Inhibitory actions of bilberry anthocyanidins on angiogenesis
Authors: Matsunaga Nozomu , Tsuruma Kazuhiro , Shimazawa Masamitsu , Yokota Shigeru , Hara Hideaki 
Published: June 2009

AbstractThe aim of this study was to examine the antiangiogenic properties and antioxidant activities (a) of the main anthocyanidins (delphinidin, cyanidin and malvidin) found as constituents in Vaccinium myrtillus (bilberry) anthocyanosides (VMA) and (b) of N‐acetyl‐l‐cysteine (NAC). Each of these anthocyanidins concentration‐dependently inhibited vascular endothelial growth factor (VEGF)‐induced tube formation in a co‐culture of human umbilical vein endothelial cells (HUVECs) and fibroblasts, the effect of each anthocyanidin being significant at 3 and/or 10 µm, while NAC significantly inhibited such tube formation at 1 mm (the only concentration tested). Moreover, each anthocyanidin (0.3–10 µm) and NAC (1–1000 µm) concentration‐dependently scavenged the 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) radical. The inhibitory effects against angiogenesis were similar among the anthocyanidins, as were those against the DPPH radical. Moreover, their radical‐scavenging effects were induced by concentrations that were at or below those that induced their antiangiogenic effects. These findings indicate that the inhibitory effect of VMA on angiogenesis may depend on those of its main constituent anthocyanidins (delphinidin, cyanidin and malvidin), presumably via antioxidant effects. Copyright © 2009 John Wiley & Sons, Ltd.
Dihydrogen bonds and blue‐shifting hydrogen bonds: A theoretical study of AH···HCF3and TH2···HCF3model systems with A = Li or Na and T = Be or Mg
Authors: de Oliveira Boaz Galdino , Ramos Mozart Neves 
Published: June 2009

AbstractA theoretical study of the molecular properties of AH···HCF3and TH2···HCF3(A = Li or Na and T = Be or Mg) model systems has been carried out at the B3LYP/6‐311++G(3df,3pd) level of theory. Once the interactions between the proton donor (H+δ) of HCF3and protonic hydrides (H−δ) have been produced, these systems appear, at first sight, to be dihydrogen‐bonded complexes. Although a blue‐shift was observed on the HC bond of HCF3upon the formation of the BeH2···HCF3dihydrogen complex, in the case of LiH···HCF3, MgH2···HCF3, and NaH···HCF3, however, a red‐shift was detected on their HCF3species. As far as B3LYP/6‐311++G(3df,3pd) calculations are concerned, we have used the quantum theory of atoms in molecules to evaluate the molecular topography and charge density, according to which higher levels of charge transfer were computed on the red‐shifted complexes. Finally, computation of ΔECdihydrogen bond energies revealed that vibrational red‐shifts are observed in more strongly bonded complexes (values for ΔECranging from 6.67 kJ mol−1to 19.66 kJ mol−1), whereas blue‐shifts are found in weakly bonded ones (higher value for ΔECis 2.31 kJ mol−1). © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Computational approach to the study of the lineshape of absorption and electronic circular dichroism spectra
Authors: Santoro Fabrizio , Barone Vincenzo 
Published: June 2009

AbstractIn this contribution we review our recent method to compute vibrationally resolved electronic spectra and we introduce some generalizations of the algorithm for application to electronic circular dichroism. We present applications to different spectroscopies and systems, dealing both with strong and weak transitions, and addressing in detail the effect of temperature. The reported examples document that, when coupled with a proper description of the electronic states by density functional theory and its time‐dependent extension for excited states, our method is versatile and provides reliable results also for sizeable systems, allowing a detailed interpretation of their spectral features. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Approach to potential energy surfaces by neural networks. A review of recent work
Authors: Latino Diogo A. R. S. , Fartaria Rui P. S. , Freitas Filomena F. M. , Aires‐De‐Sousa João , Silva Fernandes Fernando M. S. 
Published: June 2009

AbstractIn the last years, Neural Networks (NNs) turned out as a suitable approach to map accurate Potential Energy Surfaces (PES) from ab initio/DFT energy data sets. PES are crucial to study reactive and nonreactive chemical systems by Monte Carlo (MC) or Molecular Dynamics (MD) simulations. Here we present a review of (a) the main achievements, from the literature, on the use of NNs to obtain PES and (b) our recent work, analyzing and discussing models to map PES, and adding a few details not reported in our previous publications. Two different models are considered. First, NNs trained to reproduce PES represented by the Lennard–Jones (LJ) potential function. Second, the mapping of multidimensional PES to simulate, by MD or MC, the adsorption and self‐assembly of solvated organic molecules on noble‐metal electrodes, focusing the ethanol/Au (111) interface. In both cases, it is shown that NNs can be trained to map PES with similar accuracy than analytical representations. The results are relevant in the second case, in which simulations by MC or MD require an extensive screening of the interaction sites at the interface, turning the development of analytical functions a nontrivial task as the complexity of the systems increases. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
A priori molecular virtual reality on EGEE grid
Authors: Laganà Antonio , Gervasi Osvaldo 
Published: June 2009

AbstractComputer simulations of the properties of processes and materials are becoming increasingly necessary in several technological and environmental studies. This implies a growing demand of computing resources that severely exploits Grid environments in terms of sustainability and reliability of the infrastructure. For this purpose, we have established a Virtual Organization, called CompChem, committed to deploy on the EGEE production Grid applications relevant to the activities of the Molecular and Matter Sciences and Technologies Community. These applications are based on a distributed usage of distributed suites of programs. CompChem has started its Grid activities with the assemblage of an atom diatom reactive scattering prototype simulator for molecular beam apparatuses. At present, the simulator is being extended to deal with large systems. This has prompted a dramatic change in the used theoretical approaches and computational algorithms as well as a development of new paradigms to describe and represent molecular and matter structures and properties. Furthermore, we have implemented a Web Service aimed at interfacing the simulation environment running on the Grid with a Virtual Reality client environment, in which the user can set up the operating conditions of the simulation and exploit its outcomes. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Davydov's solitons in zigzag carbon nanotubes
Authors: Brizhik Larissa , Eremko Alexander , Piette Bernard , Zakrzewski Wojtek 
Published: June 2009

AbstractNonlinear mechanism of charge transport in low‐dimensional nanosystems is considered, based on the account of the electron–phonon interaction that arises from the deformation dependencies of the on‐site and the hopping interaction energies at intermediatevalues of the corresponding coupling constants. In particular, carbon‐type hexagonal zigzag nanotubes are studied. It is shown that in the adiabatic approximation the electron–phonon coupling results in the self‐trapping of carriers and formation of polaron (soliton) states. We show that the ground state of an electron in a nanotube is a low‐dimensional polaron whose symmetry depends on the strength of the coupling. Namely, at relatively weak coupling, the polaron possesses quasi‐one‐dimensional properties and has an azimuthal symmetry. When the coupling constant exceeds some critical value, the azimuthal symmetry breaks down and two‐dimensional polaron on the nanotube surface is formed. There are also polarons formed by the electrons in the conducting band (or by holes in the valence band) in semiconducting zigzag carbon nanotubes. Such polarons are described by the system of coupled nonlinear Schroedinger equations which admits single‐band polarons, and entangled (hybridized) polarons. These two types of polarons possess different energies and symmetry properties. Single‐band solutions are one‐dimensional polarons: they are azimuthally symmetric and localized along the nanotube axis. The entangled polarons are also self‐trapped along the nanotube axis, but possess an inner structure and are modulated around the nanotube. The entangled polarons break the azimuthal symmetry and their energy is lower than the energy of single‐band polarons. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Spatial variation in zooplankton community structure is related to hydrologic flow units in the Missouri river, USA
Authors: Dickerson K. D. , Medley K. A. , Havel J. E. 
Published: June 2009

AbstractZooplankton are a vital link in the food webs of large rivers, and their communities are shaped by both local environmental features and advection. In the Missouri River, flow characteristics naturally change along its length, but human modifications to facilitate commercial transport have altered natural flow in many sections of the river. We evaluated the effect of flow on zooplankton community structure at multiple spatial scales, and used multivariate analyses to evaluate the relative importance of flow and local abiotic environment on these communities. During July–September 2005, zooplankton samples and physico‐chemical measures were collected from the Missouri River main channel at 78 sites over a 2831 km range (Montana to Missouri). We identified a total of 30 cladoceran species, 22 copepod species and 27 rotifer genera, and we detected highly significant differences in zooplankton community structure among hydrologically distinct flow units and larger spatial zones. At the local scale, crustacean zooplankton and rotifers responded differently in the analyses. For copepods and cladocerans, distance from the nearest upstream reservoir explained more of the overall community pattern of the river than any other combination of environmental factors, reflecting the influence of dams on the zooplankton community of the Missouri River. For rotifers, a combination of flow characteristics due to impoundment and channelization and local environment (temperature) was important. Our study indicates that, because of the overwhelming effect of flow on zooplankton communities, hydrology must first be taken into account before zooplankton can be used as bioindicators of other environmental stresses. Copyright © 2009 John Wiley & Sons, Ltd.
Market based political action: a path to sustainable development?
Authors: Shaw Deirdre , Black Iain 
Published: June 2009

AbstractThis paper critiques market based political action (consumption as voting) with the aim of assessing its use as a means of political and societal action capable of helping develop a sustainable economy. Despite being able to motivate change within the market place, overall it is found to be limited in its direct ability to affect social change and lead the development of a more sustainable economy. However, it is found to be a useful form of political participation that encourages engagement and has a role in sending general messages to governments regarding citizens' willingness to take action over important social and environmental issues. These conclusions are based on the finding that consumers' signals and market's reactions to specific campaigns within sustainable development may be inconsistent, unclear or weak. However, overall this market action does send clear messages regarding the broader issues and people's desire to see action upon them. Copyright © 2009 John Wiley & Sons, Ltd and ERP Environment.
Modularized top‐down construction technique using suspended pour forms (modularized RC system downward, MRSD)
Authors: Hong Won‐Kee , Kim Jin‐Min , Lee Ho‐Chan , Park Seon‐Chee , Lee Seung‐Geun , Kim Seung‐Il 
Published: June 2009

AbstractPropping systems utilizing permanent slabs have been used for many decades around the world to resist lateral soil loads on piled perimeter walls or diaphragm perimeter walls during basement excavation. In the top‐down construction technique, when the excavation starts to break ground and the placement of the ground level slabs is complete, upward construction of the superstructure while digging the basement are carried out simultaneously. However, the conventional top‐down method requires slabs poured on excavated soils. This process of installing and removing temporary supports is difficult and dangerous, often resulting in a delayed excavation and construction schedule. The objective of this paper is to present an innovative deep basement top‐down construction technique that eliminates conventional temporary supports through the use of hanging pour forms. The weight of the concrete that is cast for forming slabs is supported by the hanging pour forms. This technique utilizes permanent metal deck plates located on the edges of the pour forms. The many advantages of this technique over the conventional top‐down method are described. This paper also describes the first project application on which the new technique was used to separate the concrete work from the excavation. Copyright © 2009 John Wiley & Sons, Ltd.
Henry George on Two Continents: A Comparative Study in the Diffusion of Ideas
Authors: Schiffrin Harold , Sohn Pow-Key 
Published: June 2009

The impact of Henry George's land value taxation theory was nothing less than global in scope, and his epochal Progress and Poverty – first published in 1879 – gained wider fame than any other political or socio-economic treatise emanating from an American pen. While George's doctrine was essentially a product of of his experience in California during the land-grabbing 60's and 70's, the most pervasive influence of the San Francisco sage was not manifested at home, but in Europe, Australasia and other distant places.It is with some aspects of this remarkable diffusion of Georgeism during the latter part of the 19th century that this study is concerned. In particular, we would like to examine the circumstances under which this ideological stimulus was transmitted and received in such divergent settings as England, China and Japan. First we will trace the history of the Georgeist influence in each of these countries and then compare their respective patterns of development.