bluuebunny/crossref_metadata_2025 huggingface dataset:
Preparation and characterization of biocompatible spongy cryogels of poly(vinyl alcohol)–gelatin and study of water sorption behaviour
Authors: Bajpai AK , Saini Rajesh
Published: May 2005

Porous biocompatible spongy hydrogels of poly(vinyl alcohol) (PVA)–gelatin were prepared by the freezing–thawing method and characterized by infrared and differential scanning calorimetry. The prepared so‐called ‘cryogels’ were evaluated for their water‐uptake potential and the influence of various factors, such as the chemical architecture of the spongy hydrogels, pH and the temperature of the swelling bath, on the degree of water sorption by the cryogels was investigated. It was found that the water sorption capacity constantly decreased with increasing concentration of PVA while initially an increase and thereafter a decrease in swelling was obtained with increasing amounts of gelatin in the cryogel. The water sorption capacity decreased with an increase in the number of freeze–thaw cycles. The hydrogels were also swollen in salt solutions and various simulated biological fluids and a fall in swelling ratio was noticed. The effect of the drying temperature of the cryogel on its water sorption capacity was also investigated, and a decrease in swelling was obtained with increasing temperature of drying. The biocompatibility of the prepared materials was assessed by in vitro methods of blood‐clot formation, platelet adhesion, and per cent haemolysis. It was noticed that with increasing concentration of PVA and gelatin the biocompatibility increased, while a reduced biocompatibility was noted with an increasing number of freeze–thaw cycles. Copyright © 2005 Society of Chemical Industry
Art‐loving bugs: The resurrection of Spinello Aretino from Pisa's cemetery
Authors: Antonioli Paolo , Zapparoli Giacomo , Abbruscato Pamela , Sorlini Claudia , Ranalli Giancarlo , Righetti Pier Giorgio
Published: May 2005

During 1391–1392, Spinello Aretino painted a cycle of frescoes in Pisa's cemetery on the theme “Storie dei Santi Martiri Efisio e Potito”, highly prized by contemporaries and by Vasari. Twenty years ago, one of these frescoes, “Conversione di S. Efisio e Battaglia” (Conversion of S. Efisio and Battle), because of discolouring and bad damage caused by humidity and atmospheric pollution, was removed from the walls using the “tear‐off” technique, consisting in covering the surface with a strong cloth bound to the surface with generous layers of formaldehyde‐treated glue. As luck would have it, this large fresco (3.50 × 7.80 m) was abandoned in a storehouse for more than 20 years. When the curators attempted to remove the cloth, much to their dismay they found that the glue resisted any attempt at digestion, even when treated with concoctions of the most aggressive proteolytic enzymes available on the market. It is likely that during the long storage the glue became slowly cross‐linked by the formaldehyde to the point of forming an intricate mass of untreatable proteinaceous material. Thus, although poor Spinello died presumably as a bona fide Christian, his painting was condemned to wear the burka, Muslim‐fashion, for the rest of its life. When we recently treated the fresco with a suspension of viable Pseudomonas stutzeri cells, these bacteria, although agnostic, were able to fully digest the hardened glue and restore to life Spinello's glorious painting. We show here how proteomics helped us solve the riddle of how these bacteria acted on the burka‐obscured fresco.
Design, construction, and characterization of a large synthetic human antibody phage display library
Authors: Silacci Michela , Brack Simon , Schirru Giulia , Mårlind Jessica , Ettorre Anna , Merlo Adrian , Viti Francesca , Neri Dario
Published: May 2005

Advances in proteomic research allow the identification of several hundred protein components in complex biological specimens. Structural information is typically lost during proteomic investigations. For this reason, the rapid isolation of monoclonal antibodies specific to proteins of interest would allow the study of structurally intact biological specimens, thus providing complementary proteomic information. Here, we describe the design, construction, characterization, and use of a large synthetic human antibody phage display library (ETH‐2‐Gold) containing three billion individual antibody clones. A large repertoire of antibodies with similar biochemical properties was produced by appending short variable complementarity‐determining region 3 (CDR3) onto three antibody germline segments (DP47, DPK22, and DPL16), which are frequently found in human antibodies. The ETH‐2‐Gold library exhibits efficient display of antibody fragments on filamentous phage, as assessed by immunoblot. Furthermore, the library is highly functional, since >90% of clones express soluble antibodies in bacteria and since good quality monoclonal antibodies have been isolated against 16 different antigens. The usefulness of the library as a tool for generating monoclonal antibodies for biomedical applications was tested using the C‐domain of tenascin‐C (a marker of angiogenesis) as antigen and showing that specific antibodies to this target were able to stain vascular structures in tumor sections.
Protein profile changes in the human breast cancer cell line MCF‐7 in response to SEL1L gene induction
Authors: Bianchi Laura , Canton Cristina , Bini Luca , Orlandi Rosaria , Ménard Sylvie , Armini Alessandro , Cattaneo Monica , Pallini Vitaliano , Bernardi Luigi Rossi , Biunno Ida
Published: May 2005

The ectopic expression of the gene SEL1L in the human breast carcinoma cell line MCF‐7 resulted in a reduction of the aggressive behaviour of these cells in vitro. In addition, in vivo analysis on a series of primary breast carcinomas revealed an association between the SEL1L protein levels and the patient's overall survival. We aimed to find those proteins, associated with SEL1L, which may be involved in modulating the aggressive or invasive behaviour of breast cancer cells. For this purpose, we used both the proteomic and microarray approaches. Image analysis of two‐dimensional electropherograms revealed the presence of 27 qualitative and 35 quantitative variations between the MCF7‐SEL1L expressing cells compared to control. Mass spectrometry identified 32 changing proteins mostly involved in cytoskeletal and metabolic activities, stress response and protein folding, selenoprotein synthesis and cellular proliferation. Five of these also showed changes in transcript levels, as assessed by Affymetrix microarray analysis. Interestingly, seven proteins: carbonic anhydrase (CA) II, ovarian/breast septin, S100A16 calcium binding protein, 14‐3‐3 protein sigma, proteasome subunit β type 6, Hsp60 and protein disulphide‐isomerase A3 merit particular attention since they are known to be involved in cancer, in response to cellular stress and in protein folding.
Cycloadditions in mixed aqueous solvents: the role of the water concentration
Authors: Rispens Theo , Engberts Jan B. F. N.
Published: May 2005

We examined the kinetics of a series of cycloaddition reactions in mixtures of water with methanol, acetonitrile and poly(ethylene glycol) (MW 1000). The reactions include the Diels–Alder (DA) reaction between cyclopentadiene and N‐n‐butylmaleimide or acridizinium bromide, the retro‐Diels‐Alder (RDA) reaction of 1,4,4a,9a‐tetrahydro‐4a‐methyl‐(1α,4α,4aα,9aα)‐1,4‐methaneanthracene‐9,10‐dione and the 1,3‐dipolar cycloaddition of benzonitrile oxide with N‐n‐butylmaleimide. Plots of logk vs the molar concentration or volume fraction of water are approximately linear, but with a characteristic break around 40 M water. This break, absent for the RDA reaction, is ascribed to hydrophobic effects. Comparison with aqueous mixtures of the more hydrophobic 1‐propanol shows that these mixtures induce qualitatively similar effects on the rate, but that preferential solvation effects cause the mixtures of 1‐propanol to exhibit a more complex behavior of logk on composition. The results are analyzed using the Abraham–Kamlett–Taft model. The solvent effects in aqueous mixtures are not satisfactorily described by this model. For some cycloadditions, small maxima in rate are observed in highly aqueous mixtures of alcohols. The origin of these maxima and the aforementioned breaks is most likely the same. Copyright © 2005 John Wiley & Sons, Ltd.
Self‐assembly of molecules containing the 2‐aminopyridine unit in non‐polar solvents
Authors: Rospenk Maria , Koll Aleksander
Published: May 2005

A combined experimental and theoretical study on the self‐assembly of three molecules, 2,2′‐dipyridylamine, 2‐(1‐phenylamino)pyridine and 2‐methylaminopyridine was performed. The effect of concentration increase in low‐polarity solvents was investigated. The average molecular weights, dipole moments and IR spectra of these compounds were measured in C6H6, CCl4 and CHCl3. A strong association of all these molecules was found, through NH···N hydrogen bonding. The form of associates is different; in molecules containing the N‐aromatic ring the aggregates have a dipole moment decreasing with concentration whereas in N‐methylaminopyridine a considerable increase in dipole moment with concentration was observed. DFT B3LYP/6–31G(d,p) calculations for monomers, dimers, trimers and tetramers of these three molecules were performed to model the structures of possible aggregates. Copyright © 2005 John Wiley & Sons, Ltd.
Evaluation of the needs and concerns of partners of women at high risk of developing breast/ovarian cancer
Authors: Mireskandari Shab , Meiser Bettina , Sherman Kerry , Warner Beverley J. , Andrews Lesley , Tucker Katherine M.
Published: May 2005

This exploratory study investigates the experience of partners of women at high risk of developing breast/ovarian cancer and reports on the partners' views concerning their relationship, communication, future planning, children and childbearing, involvement in decision‐making regarding screening and prophylactic measures, and information and support needs. In‐depth interviews were conducted with 15 partners. Of these, seven were partners of women who were BRCA1/2 mutation carriers, five were partners of women with unknown mutation status, and three were partners of women who were non‐carriers. None of the women had a previous diagnosis of breast or ovarian cancer. Partners of carriers and women with unknown mutation status were found to be more distressed than partners of non‐carriers, with partners of mutation carriers reporting the most difficulties. Factors associated with better adjustment and coping for partners included dealing with this situation as a team with their wife, greater involvement in decision‐making, satisfaction with their supportive roles and being optimistic. Decision‐making difficulties in relation to prophylactic measures, concerns about their children possibly being at increased cancer risk, as well as the need to receive information directly from health professionals and the wish to meet other partners were also discussed. Copyright © 2005 John Wiley & Sons, Ltd.
Not all negative emotions are equal: the role of emotional expression in online support groups for women with breast cancer
Authors: Lieberman Morton A. , Goldstein Benjamin A.
Published: May 2005

The repression/suppression of negative emotions has long been considered detrimental for breast cancer (BC) patients, leading to poor coping, progression of symptoms, and general lower quality of life. Therapies have focused on encouraging the expression of negative emotions. While group therapies have proven to be successful for BC patients, no study has looked at the role of expressing negative emotions during the therapeutic interaction. We examined written expressed emotions by women participating in a common form of psychosocial support, Internet based bulletin boards (BBs). Fifty‐two new members to BC BBs were studied. They completed measures of quality of life and depression. After 6 months the measures were again assessed and messages during that time were collected and analyzed for emotional content. For the 52 women, results showed that greater expression of anger was associated with higher quality of life and lower depression, while the expression of fear and anxiety was associated with lower quality of life and higher depression. The expression of sadness was unrelated to change scores. Our results serve to challenge the commonly held belief that the expression of all negative emotions are beneficial for BC patients. Instead, expressing specific negative emotions are beneficial, while others are not. Copyright © 2005 John Wiley & Sons, Ltd.
Consequence analysis—Using a CFD model for industrial sites
Authors: Dharmavaram S. , Hanna S. R. , Hansen O. R.
Published: May 2005

Several models are currently available to model the discharge and dispersion of toxic or flammable materials to the environment. A few of the Gaussian dispersion modeling tools allow the representation of the complex environment within a manufacturing plant or urban area in determining the impact of continuous releases from a plant. For atmospheric dispersion of dense gases, a correction is made for the presence of the buildings and other complexity by using a surface roughness parameter, which is only a crude approximation. A need exists to obtain realistic estimates of plume dispersion in a complex environment, particularly accounting for buildings/obstructions at a plant and the associated turbulence. With the advance of computational technology, and greater availability of computing power, computational fluid dynamics (CFD) tools are becoming more available for solving a wide range of problems. A CFD model, called FLACS (flame acceleration simulator), developed originally for explosion modeling, has been upgraded for atmospheric dispersion modeling. CFD tools such as FLACS can now be confidently used to understand the impact of releases in a plant environment consisting of buildings, structures, and pipes, and accounting for all complex fluid flow behavior in the atmosphere and predicting toxicity and fire/explosion impacts. With its porosity concept representing geometry details smaller than the grid, FLACS can satisfactorily represent geometry even when using a coarse‐grid resolution to limit the simulation time. The performance of FLACS has recently been evaluated using a wide range of field data sets for sulfur dioxide (Prairie Grass), carbon dioxide (Kit Fox), and ethylene (EMU), for example. In this paper, details about the improvements made to FLACS, model validation exercises, and results from the modeling of releases from an industrial facility are presented. © 2005 American Institute of Chemical Engineers Process Saf Prog, 2005
Safe acetoxylation of propylene: The role of oxygen
Authors: Chen Jenq‐Renn , Lee Chien‐May
Published: May 2005

Acetoxylation processes are a special type of oxidation process in which the oxygen participates indirectly in the coupling of olefins and carboxylic acids. For example, propylene, acetic acid, and oxygen were catalyzed by Pd catalyst at 433.15 K, 0.5–0.6 MPa to form allyl acetate. As a part of developing safe propylene acetoxylation processes, the effects of excess oxygen are studied directly in the presence of a catalyst or an ignition source. Oxidation and combustion are found to dominate the catalytic reaction when the oxygen feed concentration exceeds the normal level of 6.4%. Temperature runaway is found to occur at feed oxygen concentrations > 14%. Without the presence of catalysts, the ignition and deflagration are possible only when the feed oxygen concentration is >18.6%. The possible mechanism of the catalytic combustion is discussed. The results suggest that using homogeneous flammability limits as the safe operating boundary for catalytic gas‐phase acetoxylation processes is unsafe and proper precautions must be taken for potential catalytic oxidation. © 2005 American Institute of Chemical Engineers Process Saf Prog, 2005
In vivo effects of the fungicide ethaboxam on microtubule integrity in Phytophthora infestans
Authors: Uchida Maho , Roberson Robert W. , Chun Sam‐Jae , Kim Dal‐Soo
Published: May 2005

The effects of ethaboxam (LGC‐30473), a novel thiazole carboxamide, on microtubule organization was investigated in Phytophthora infestans (Mont) de Bary (Oomycota) at the light microscope level using standard immunofluorescence and laser scanning confocal microscopy. Hyphal cells were exposed to various concentrations ranging from 0.01 to 1.0 µg ml−1 of ethaboxam at incubation times of 30, 60 and 120 min. Microtubules were disrupted after exposure to ethaboxam for 30 min at 0.01 µg ml−1. Similar experimental conditions were used to document the effects of ethaboxam on microtubule integrity in the model fungus Aspergillus nidulans (Eidam) Winter (Ascomycota) and in mammalian mouse 17 clone 1 cells. Under these conditions, there was no evidence to suggest that microtubules in A nidulans and mouse culture cells were affected by the ethaboxam. These results indicate that ethaboxam is specific for the targeting of microtubule disruption in P infestans. Copyright © 2005 Society of Chemical Industry
A physically based thermal model for high‐voltage thin‐film SOI LDMOS in short circuit operation
Authors: Roig J. , Flores D. , Urresti J. , Cortes I. , Hidalgo S. , Millán J.
Published: May 2005

The heat generation process inside thin‐film silicon‐on‐insulator LDMOS structures accounting for Linear Doping Profile (LDP) or Variation on Lateral Doping (VLD) is analysed in this paper by means of numerical simulation tools and analytical modeling. A uniform heat density, mainly due to the Joule effect, has been demonstrated to be generated in a rectangular shaped heat source, contained in the drift region. The dimensions of such a heat source are dependent on the drain bias as well as on the geometrical/technological structure parameters. Accordingly, we have developed an analytical electro‐thermal model to provide physical insight into the heat generation process, and to predict dynamic temperature distribution by means of heat flow equation approach. The model is suitable for typical short circuit operation when the internal device temperature raises critically. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Electrical properties of undoped PZT and Co‐doped PCZT films deposited on ITO/glass substrates by a sol–gel method
Authors: Liu Zuli , Liu Qing , Liu Hongri , Yao Kailun
Published: May 2005

Pb(Zr0.5Ti0.5)O3 (PZT) and Co‐doped Pb(Zr0.5Ti0.5)O3 (PCZT) thin films have been fabricated on ITO/glass substrates by a sol–gel method combined with a rapid thermal annealing process. The films were polycrystalline with (101)‐preferred orientation. The experiments found that the addition of cobalt in PZT films greatly improved the ferroelectric properties of PZT thin films. Large remanent polarization and small coercive field were confirmed by P–E hysteresis loop measurements. The values for PZT films and PCZT films with 10 mol% Co‐doped annealed at 600 °C were 36.5 µC/cm2 and 45.2 kV/cm, 58.6 µC/cm2 and 67.3 kV/cm, respectively. Also, dielectric properties and I–V properties of PCZT films were revealed to be sensitive to the content of cobalt. The loss factor was higher for PCZT than for PZT films. The same behavior was obtained for the leakage current density. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Microstructure and magnetic properties of FePt and FePt–Al2O3 thin films fabricated by in situ ordering process
Authors: Cao J. , Yang Z. , Katayama N. , Matsumoto M. , Morisako A. , Liu X. , Takei S.
Published: May 2005

The microstructure and magnetic properties of L10 ordered Fe55Pt45 and (Fe55Pt45)1–x–(Al2O3)x thin films fabricated by in situ ordering process were studied. For Fe55Pt45 thin films, preheating substrate above 250 °C induces a transformation from a disordered fcc structure to ordered L10 phase and the films become magnetically hard. The addition of Al2O3 made fcc‐fct transformation temperature rise from 250 °C to 400 °C and the average grain size of thin films reduce from 20 nm to 6nm or less. The reason why the fcc‐fct phase transformation starts at lower substrate temperature can be well understood by the discussion of relationship between phase transformation and kinetic energy of sputtered atoms. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Characteristics of SnO2 fishbone‐like nanostructures prepared by the thermal evaporation
Authors: Kim Hyoun Woo , Kim Nam Ho , Myung Ju Hyun , Shim Seung Hyun
Published: May 2005

We have successfully grown the tin oxide (SnO2) fishbone‐like nanostructures on titanium nitride (TiN)‐coated substrates by the thermal evaporation of Sn powders. X‐ray diffraction indicated that the product had the phase structure of the rutile form of SnO2. Transmission electron microscopy (TEM) revealed that the product consisted of fishbone‐like structure, with branches and sub‐branches attached to the main stem. High‐resolution TEM and selected area diffraction pattern coincidentally indicated that both branches and sub‐branches were single crystalline rutile SnO2 structures. Room temperature photoluminescnece (PL) spectrum of the as‐synthesized SnO2 nanostructures exhibited peaks associated with the visible light emission. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Electronic and physicochemical properties of selected nitrofurans: A theoretical study
Authors: Soriano‐Correa Catalina , Raya Angélica , Sánchez‐Ruiz Juan F. , Esquivel Rodolfo O.
Published: May 2005

A relationship between the chemical structure and antibacterial activity of nitrofurans is not still completely elucidated; however, from a therapeutics point of view it has been observed that the position of the nitro group is a relevant feature for them to show antibacterial activity. In this work, we performed an ab initio study of some selected nitrofurans at the Hartree‐Fock, second‐order Møller‐Plesset, and Density Functional levels of theory with the purpose of obtaining several electronic structural and physicochemical properties of nitrofurans. The relative acidity of the azomethine group of nitrofurans was analyzed through the deprotonation energy. The results reveal that the less acidic molecules possess antibacterial activity. The bond order analysis suggests that the activity of the nitrofurans could be affected by the electroattracting properties of the substituent. An atomic charge and electrostatic potential analysis showed that the azomethine group, the nitro group, and the furenic ring are influenced by the substituent electronegativity. Finally, a structural analysis showed that the nitro group is coplanar with respect to the furenic ring. The present study reveals that the analyzed physicochemical and structural properties may be related to the antibacterial activity of these nitrofuran‐type compounds. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Quantum stochastic modeling energy transfer and effect of rotational and V‐T relaxation on multiphoton excitation and dissociation for CF3Br molecules
Authors: Glushkov Alexander V. , Malinovskaya Svetlana V. , Shpinareva Iryna M. , Kozlovskaya Valya P. , Gura Vlad I.
Published: May 2005

A stochastic kinetic approach was used to calculate the integral parameters of the multiphoton excitation (dissociation) and relaxation of molecules CF3Br in the buffer gas (N2). A process of excitation into continuum is described within the generalized kinetical equations model to account for stochastization of the vibrational motion. The multiphoton dissociation yield and absorbed energy for molecules of 12CF3Br and 13CF3Br were calculated. A dependence of the absorbed energy and dissociation yield on pressure p = p(N2) + p(CF3Br) were determined for a number of lines of the CO2 laser (1048.66, 1043.16, 1035.47 cm−1). It is shown that the dissociation yield is mainly defined by the influence of the rotational relaxation in the pressure interval p < 50–100 Torr and here the V‐T relaxation is not significant. Above 200 Torr the dissociation yield was determined by the concurrence of two processes: the V‐T relaxation and process of involving the molecules from the lowest levels. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
MQDO study of photoionization cross‐sections for carbon monoxide
Authors: Velasco A. M. , Martín I. , Lavín C.
Published: May 2005

The photoionization of carbon monoxide from its ground state was studied theoretically. Partial photoionization cross sections were calculated up to a photon energy of 50 eV for the different Rydberg series that constitute the ionization channels of CO from its ground state. These values conform fairly well to the experimental ones found in the literature, in particular near the threshold region and at large photon energies. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Molecular quantum defect orbital (MQDO) calculation of the photoionization of CF3X (X=Br,I): Study of ligand substitution effects
Authors: Martín I. , Mayor E. , Velasco A. M.
Published: May 2005

Photoionization cross sections of CF3Br and CF3I were calculated with the molecular‐adapted quantum defect orbital (MQDO) approach. The partial cross sections corresponding to the different Rydberg series that constitute the ionization channels of both molecules from their ground states are reported. Good agreement with experiment was found. An analysis of the results reveals that the cross section profiles are largely independent of the nature of the ligands. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Transmissivity and degeneracy of quasi‐energies
Authors: Lefebvre R.
Published: May 2005

We examine the transmissivity through a triple barrier of a particle interacting with an oscillating field. This study is motivated by the well‐documented coherence suppression of tunneling in a double well under the effect of such a field. Since the work of Hänggi and colleagues, it is known that localization of the particle in one of the wells can be correlated with a degeneracy of two quasi‐energies of Floquet theory. When the quasi‐energies are complex, we can at least produce an equality of their real parts. Since the particle meets a double‐well potential on its way, one may expect some effect on the transmission. It is found that there is effectively some significant reduction in the integrated transmission probabilities in the neighborhood of the energy crossing. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Cooperative laser–electron–nuclear processes: QED calculation of a spectrum of electron–nuclear γ‐transitions of a nucleus in the neutral atom
Authors: Malinovskaya Svetlana V.
Published: May 2005

A consistent quantum electrodynamics (QED) perturbation theory approach is applied to the calculation of the electron–nuclear γ‐transition spectra of the nucleus in the neutral atom. Satellite intensities are defined in the relativistic version of the energy approach (S‐matrix formalism). The nuclear transitions in the isotopes of Ne21 with energy 6 MeV and Ca41 with energy 3 MeV are considered. The results of the calculations of the relative satellite intensities for different transitions in the neutral atoms Ne, Ca are presented. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
CH(X2∏, a4∑−) … OH2 and CH2(X̃3B1, ã1A1) … OH2 interactions. A first principles investigation
Authors: Tzeli Demeter , Mavridis Aristides
Published: May 2005

We have investigated the interaction of the methylidene, CH(X2∏, a4∑−) and methylene, CH2(X̃3B1, ã1A1) with H2O, employing the (P)MPn (n = 2, 4) techniques in conjunction with the sequence of correlation consistent basis sets aug‐cc‐pVxZ, x = 2, 3, and 4. For the CH … OH2 system, we have located four minima (m) and three transition states (ts) and for the CH2 … OH2, five minima and four transition states. All our results have been corrected for zero‐point energy (ZPE) and basis set superposition errors (BSSE), while for the most important m_ structures, we report complete basis set (CBS) interaction limits. We also report fully optimized geometries, harmonic frequencies, dipole moments, Mulliken charges, and potential energy curves. The highest CH(X2∏) … OH2 (m1_2∏) and CH2(ã1A1) … OH2 (m1_1A1) interactions are the result of electron transfer from the oxygen atom to the empty pπ orbitals of CH(X2∏) and CH2(ã1A1), respectively (ylide‐like structures). At the (P)MP4/AQZ//MP2/ATZ level, including ZPE, BSSE, and CBS extrapolation, we obtain ΔE0(BSSE)+CBS = −9.36 kcal/mol at rC … O = 1.752 Å, and −9.73 kcal/mol at rC … O = 1.741 Å for the m1_2∏ and m1_1A1, respectively. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Measurements on a wind turbine wake: 3D effects and bluff body vortex shedding
Authors: Medici D. , Alfredsson P. H.
Published: May 2005

The velocity field in the wake of a two‐bladed wind turbine model (diameter 180 mm) has been studied under different conditions using a two‐component hot wire. All three velocity components were measured both for the turbine rotor normal to the oncoming flow as well as with the turbine inclined to the freestream direction (the yaw angle was varied from 0° to 20°). The measurements showed, as expected, a wake rotation in the opposite direction to that of the turbine. A yawed turbine is found to clearly deflect the wake flow to the side, showing the potential of controlling the wake by yawing the turbine. An unexpected feature of the flow was that spectra from the time signals showed the appearance of a low‐frequency fluctuation both in the wake and in the flow outside the wake. This fluctuation was found both with and without freestream turbulence and also with a yawed turbine. The frequency expressed as a Strouhal number was shown to be independent of the freestream velocity or turbulence level, but the low frequency was only observed when the tip speed ratio (or equivalently the drag coefficient) was high. The shedding frequency changed also with the yaw angle. This is in agreement with the idea that the turbine sheds structures as a bluff body. The phenomenon, noticeable in all the velocity components, was further investigated using two‐point cross‐correlations of the velocity signals. Copyright © 2005 John Wiley & Sons, Ltd.
Antimicrobial prophylaxis in biliary surgery
Authors: Gunn A. A.
Published: May 2005

Infection is a problem in biliary surgery and precautions should be taken to reduce this. A policy for the prophylactic use of antibiotics is essential. Patients who are at risk should be identified by assessment of clinical parameters and/or by duodenal intubation and immediate plating of the bile specimen. The antibiotic should be carefully chosen after consultation with the bacteriology department. Prospective collection of data should begin with specimens of gallbladder wall, bile, and a stone sent for both aerobic and anaerobic culture. The selected antibiotic should be started preoperatively.
Use of intraoperative ultrasonography to localize islet cell tumors
Authors: Zeiger Martha A. , Shawker Thomas H. , Norton Jeffrey A.
Published: May 2005

Because approximately 50% of insulinomas and a similar proportion of gastrinomas are not evident on preoperative imaging studies, precise intraoperative localization of these small tumors is imperative. Recently the use of high‐resolution real‐time B‐mode ultrasonography has dramatically facilitated the operative detection of pancreatic islet cell tumors. The tumor appears sonolucent compared to the more echo‐dense surrounding pancreas. This operative technique has been especially useful in patients with insulinoma because these tumors are generally located within the pancreas. In fact, it is so helpful during explorations for insulinoma some suggest that extensive preoperative localization studies are no longer indicated—that the patient can simply be explored with intraoperative ultrasonography (IOUS). It has not been as useful for gastrinomas because of their common extrapancreatic location. Accumulating evidence suggests that IOUS is an effective tool to aid in the operative localization and resection of pancreatic islet cell tumors. Not only can it precisely localize the tumor, it can accurately document the relation of the tumor to other vital pancreatic structures including ducts, veins, and arteries.
The Toll pathway is important for an antiviral response in
Drosophila
Authors: Zambon Robert A. , Nandakumar Madhumitha , Vakharia Vikram N. , Wu Louisa P.
Published: May 2005

The innate immune response of
Drosophila melanogaster
is governed by a complex set of signaling pathways that trigger antimicrobial peptide (AMP) production, phagocytosis, melanization, and encapsulation. Although immune responses against both bacteria and fungi have been demonstrated in
Drosophila
, identification of an antiviral response has yet to be found. To investigate what responses
Drosophila
mounts against a viral infection, we have developed an
in vivo Drosophila
X virus (DXV)-based screening system that identifies altered sensitivity to viral infection by using DXV's anoxia-induced death pathology. Using this system to screen flies with mutations in genes with known or suggested immune activity, we identified the Toll pathway as a vital part of the
Drosophila
antiviral response. Inactivation of this pathway instigated a rapid onset of anoxia induced death in infected flies and increases in viral titers compared to those in WT flies. Although constitutive activation of the pathway resulted in similar rapid onset of anoxia sensitivity, it also resulted in decreased viral titer. Additionally, AMP genes were induced in response to viral infection similar to levels observed during
Escherichia coli
infection. However, enhanced expression of single AMPs did not alter resistance to viral infection or viral titer levels, suggesting that the main antiviral response is cellular rather than humoral. Our results show that the Toll pathway is required for efficient inhibition of DXV replication in
Drosophila
. Additionally, our results demonstrate the validity of using a genetic approach to identify genes and pathways used in viral innate immune responses in
Drosophila.
Ventralized dorsal telencephalic progenitors in Pax6 mutant mice generate GABA interneurons of a lateral ganglionic eminence fate
Authors: Kroll Todd T. , O'Leary Dennis D. M.
Published: May 2005

The transcription factor Pax6 is expressed by progenitors in the ventricular zone (VZ) of dorsal telencephalon (dTel), which generate all cortical glutamatergic neurons, but not by progenitors in the medial ganglionic eminence (MGE), which generate cortical GABAergic interneurons (GABA INs), or the lateral ganglionic eminence (LGE), which generate GABA INs that normally migrate to the olfactory bulb. We show that perinatally, Pax6
sey/sey
mice, which lack functional Pax6 protein, have large subpial ectopias in dTel and ventral telencephalon connected by cell streams arising from an aberrant paraventricular ectopia found throughout dTel. The subpial and paraventricular ectopias and connecting cell streams are comprised of postmitotic neurons expressing markers for GABA INs characteristic of a LGE fate. Marker analyses show that dTel VZ progenitors in Pax6 mutants are progressively ventralized, acquiring expression of regulatory genes normally limited to GE progenitors; by midneurogenesis, the entire dTel VZ exhibits ventralization. This ventralization of the dTel VZ is paralleled by the expression of markers for GABA INs superficial to it, suggesting that it ectopically produces GABA INs, leading to their ectopias and a thinner cortical plate due to diminished production of glutamatergic neurons. Genetic lineage tracing demonstrates that the GABA INs comprising the ectopias are from a cortical Emx1 lineage generated in the dTel VZ, definitively showing that dTel progenitors and progeny acquire a ventral, GE, fate in Pax6 mutants. Thus, Pax6 delimits the appropriate proliferative zone for GABA INs and regulates their numbers and distributions by repressing the ventral fates of dTel progenitors and progeny.
Structural and functional similarities between the capsid proteins of bacteriophages T4 and HK97 point to a common ancestry
Authors: Fokine Andrei , Leiman Petr G. , Shneider Mikhail M. , Ahvazi Bijan , Boeshans Karen M. , Steven Alasdair C. , Black Lindsay W. , Mesyanzhinov Vadim V. , Rossmann Michael G.
Published: May 2005

Gene product (gp) 24 of bacteriophage T4 forms the pentameric vertices of the capsid. Using x-ray crystallography, we found the principal domain of gp24 to have a polypeptide fold similar to that of the HK97 phage capsid protein plus an additional insertion domain. Fitting gp24 monomers into a cryo-EM density map of the mature T4 capsid suggests that the insertion domain interacts with a neighboring subunit, effecting a stabilization analogous to the covalent crosslinking in the HK97 capsid. Sequence alignment and genetic data show that the folds of gp24 and the hexamer-forming capsid protein, gp23
*
, are similar. Accordingly, models of gp24
*
pentamers, gp23
*
hexamers, and the whole capsid were built, based on a cryo-EM image reconstruction of the capsid. Mutations in gene 23 that affect capsid shape map to the capsomer's periphery, whereas mutations that allow gp23 to substitute for gp24 at the vertices modify the interactions between monomers within capsomers. Structural data show that capsid proteins of most tailed phages, and some eukaryotic viruses, may have evolved from a common ancestor.
Emotion expression in human punishment behavior
Authors: Xiao Erte , Houser Daniel
Published: May 2005

Evolutionary theory reveals that punishment is effective in promoting cooperation and maintaining social norms. Although it is accepted that emotions are connected to punishment decisions, there remains substantial debate over why humans use costly punishment. Here we show experimentally that constraints on emotion expression can increase the use of costly punishment. We report data from ultimatum games, where a proposer offers a division of a sum of money and a responder decides whether to accept the split, or reject and leave both players with nothing. Compared with the treatment in which expressing emotions directly to proposers is prohibited, rejection of unfair offers is significantly less frequent when responders can convey their feelings to the proposer concurrently with their decisions. These data support the view that costly punishment might itself be used to express negative emotions and suggest that future studies will benefit by recognizing that human demand for emotion expression can have significant behavioral consequences in social environments, including families, courts, companies, and markets.
Interleukin 10 attenuates neointimal proliferation and inflammation in aortic allografts by a heme oxygenase-dependent pathway
Authors: Chen Sifeng , Kapturczak Matthias H. , Wasserfall Clive , Glushakova Olena Y. , Campbell-Thompson Martha , Deshane Jessy S. , Joseph Reny , Cruz Pedro E. , Hauswirth William W. , Madsen Kirsten M. , Croker Byron P. , Berns Kenneth I. , Atkinson Mark A. , Flotte Terence R. , Tisher C. Craig , Agarwal Anupam
Published: May 2005

Interleukin 10 (IL-10) is a pleiotropic cytokine with well known antiinflammatory, immunosuppressive, and immunostimulatory properties. Chronic allograft rejection, characterized by vascular neointimal proliferation, is a major cause of organ transplant loss, particularly in heart and kidney transplant recipients. In a Dark Agouti to Lewis rat model of aortic transplantation, we evaluated the effects of a single intramuscular injection of a recombinant adeno-associated viral vector (serotype 1) encoding IL-10 (rAAV1-IL-10) on neointimal proliferation and inflammation. rAAV1-IL-10 treatment resulted in a significant reduction of neointimal proliferation and graft infiltration with macrophages and T and B lymphocytes. The mechanism underlying the protective effects of IL-10 in aortic allografts involved heme oxygenase 1 (HO-1) because inhibition of HO activity reversed not only neointimal proliferation but also inflammatory cell infiltration. Our results indicate that IL-10 attenuates neointimal proliferation and inflammatory infiltration and strongly imply that HO-1 is an important intermediary through which IL-10 regulates the inflammatory responses associated with chronic vascular rejection.
A late Neandertal femur from Les Rochers-de-Villeneuve, France
Authors: Beauval Cédric , Maureille Bruno , Lacrampe-Cuyaubère François , Serre David , Peressinotto David , Bordes Jean-Guillaume , Cochard David , Couchoud Isabelle , Dubrasquet David , Laroulandie Véronique , Lenoble Arnaud , Mallye Jean-Baptiste , Pasty Sylvain , Primault Jérôme , Rohland Nadin , Pääbo Svante , Trinkaus Erik
Published: May 2005

In 2002, a Neandertal partial femoral diaphysis was discovered at Les Rochers-de-Villeneuve (Vienne, France). Radiocarbon dated to ≈40,700
14
C years before present, this specimen is one of the most recent Middle Paleolithic Neandertals. The diaphysis derives from an archeological level indicating alternating human and carnivore (mostly hyena) occupation of the cave, reinforcing the close proximity and probable competition of Middle Paleolithic humans with large carnivores for resources and space. Morphological aspects of the diaphysis and ancient DNA extracted from it indicate that it is aligned with the Neandertals and is distinct from early modern humans. However, its midshaft cortical bone distribution places it between other Middle Paleolithic Neandertals and the Châtelperronian Neandertal from La Roche-à-Pierrot, supporting a pattern of changing mobility patterns among late Middle Paleolithic Neandertals on the eve of modern human dispersals into Europe.
Meal-based intake assessment tool: relative validity when determining dietary intake of Fe and Zn and selected absorption modifiers in UK men
Authors: Heath Anne-Louise M. , Roe Mark A. , Oyston Sarah L. , Fairweather-Tait Susan J.
Published: May 2005

A computer-based dietary assessment tool, the meal-based intake assessment tool (MBIAT), is described. In the current study, dietary intakes of Fe and Zn fractions (total Fe, non-haem Fe, haem Fe, meat Fe, total Zn) and dietary components that influence Fe and Zn absorption (vitamin C, phytate, Ca, grams of meat/fish/poultry, black tea equivalents, phytate:Zn molar ratio) were assessed. The relative validity of the MBIAT was determined in forty-eight UK men aged 40 years and over by comparing its results with those from weighed diet records collected over 12 d. There was good agreement between the MBIAT and the weighed diet records for median intakes of total, non-haem, haem and meat Fe, Zn, vitamin C, phytate, grams of meat/fish/poultry and phytate:Zn molar ratio. Correlations between the two methods ranged from 0·32 (for Ca) to 0·80 (for haem Fe), with 0·76 for total Fe and 0·75 for Zn. The percentage of participants classified by the MBIAT into the same/opposite weighed diet record quartiles ranged from 56/0 for Fe and 60/0 for Zn to 33/10 for Ca. The questionnaire also showed an acceptable level of agreement between repeat administrations (e.g. a correlation for total Fe of 0·74). In conclusion, the MBIAT is appropriate for assessing group dietary intakes of total Fe and Zn and their absorption modifiers in UK men aged 40 years and over.
Age-related alteration of vitamin D metabolism in response to low-phosphate diet in rats
Authors: Chau Tsui-Shan , Lai Wan-Ping , Cheung Pik-Yuen , Favus Murray J. , Wong Man-Sau
Published: May 2005

The responses of renal vitamin D metabolism to its major stimuli alter with age. Previous studies showed that the increase in circulating 1,25-dihydroxyvitamin D (1,25(OH)2D3) as well as renal 25-hydroxyvitamin D31-α hydroxylase (1-OHase) activity in response to dietary Ca or P restriction reduced with age in rats. We hypothesized that the mechanism involved in increasing circulating 1,25(OH)2D3in response to mineral deficiency alters with age. In the present study, we tested the hypothesis by studying the expression of genes involved in renal vitamin D metabolism (renal 1-OHase, 25-hydroxyvitamin D 24-hydroxylase (24-OHase) and vitamin D receptor (VDR)) in young (1-month-old) and adult (6-month-old) rats in response to low-phosphate diet (LPD). As expected, serum 1,25(OH)2D3increased in both young and adult rats upon LPD treatment and the increase was much higher in younger rats. In young rats, LPD treatment decreased renal 24-OHase (days 1–7,P<0·01) and increased renal 1-OHase mRNA expression (days 1–5,P<0·01). LPD treatment failed to increase renal 1-OHase but did suppress 24-OHase mRNA expression (P<0·01) within 7 d of LPD treatment in adult rats. Renal expression of VDR mRNA decreased with age (P<0·001) and was suppressed by LPD treatment in both age groups (P<0·05) Feeding of adult rats with 10 d of LPD increased 1-OHase (P<0·05) and suppressed 24-OHase (P<0·001) as well as VDR (P<0·05) mRNA expression. These results indicate that the increase in serum 1,25(OH)2D3level in adult rats during short-term LPD treatment is likely to be mediated by a decrease in metabolic clearance via the down-regulation of both renal 24-OHase and VDR expression. The induction of renal 1-OHase mRNA expression in adult rats requires longer duration of LPD treatment than in younger rats.
Bone remodelling is not affected by consumption of a sodium-rich carbonated mineral water in healthy postmenopausal women
Authors: Schoppen Stefanie , Pérez-Granados Ana M. , Carbajal Ángeles , Piedra Concepción de la , Vaquero M. Pilar
Published: May 2005

This study was designed to investigate the possible effects of consuming Na-rich carbonated mineral water on bone remodelling and urinary mineral excretion in postmenopausal women. Women (n18) included were amenorrhoeic (>1 year), healthy and not obese (BMI <30 kg/m2). No woman was taking oestrogen replacement therapy, mineral and vitamin supplements, phyto-oestrogens or medications known to affect bone and lipid metabolism. In two consecutive interventions that lasted 8 weeks each, women drank 1 litre of control mineral water daily and 1 litre of carbonated mineral water, rich in Na, HCO–3inf super and Cl−, daily. Body weight and height were measured, BMI was calculated and blood pressure was measured. Blood samples were taken from fasting subjects and serum obtained to analyse the biochemical bone markers, procollagen I amino-terminal propeptide (PINP) and β-carboxy-terminal telopeptide of collagen (β-CTX). At the end of each period, 24 h urine samples were collected to determine Ca, Mg, P, Na+, K+, Cl−, urine excretion and urinary pH. No changes in body weight, BMI or blood pressure were observed during the experimental period. Ca excretion was lower after the intake of carbonated water than after intake of the control water (P=0·037) while P excretion was higher (P=0·015). Total urine, Na and Cl−excretion did not differ between the two periods but urinary pH was increased after the intake of carbonated mineral water. PINP and β-CTX did not differ between the two periods. Daily consumption of 1 litre of Na-rich carbonated mineral water for 8 weeks does not affect bone remodelling in healthy postmenopausal women.