bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemokine receptor expression by neural progenitor cells in neurogenic regions of mouse brain
Authors: Tran Phuong B. , Banisadr Ghazal , Ren Dongjun , Chenn Anjen , Miller Richard J.
Published: December 2006

We previously demonstrated that chemokine receptors are expressed by neural progenitors grown as cultured neurospheres. To examine the significance of these findings for neural progenitor function in vivo, we investigated whether chemokine receptors were expressed by cells having the characteristics of neural progenitors in neurogenic regions of the postnatal brain. Using in situ hybridization we demonstrated the expression of CCR1, CCR2, CCR5, CXCR3, and CXCR4 chemokine receptors by cells in the dentate gyrus (DG), subventricular zone of the lateral ventricle, and olfactory bulb. The pattern of expression for all of these receptors was similar, including regions where neural progenitors normally reside. In addition, we attempted to colocalize chemokine receptors with markers for neural progenitors. In order to do this we used nestin‐EGFP and TLX‐LacZ transgenic mice, as well as labeling for Ki67, a marker for dividing cells. In all three areas of the brain we demonstrated colocalization of chemokine receptors with these three markers in populations of cells. Expression of chemokine receptors by neural progenitors was further confirmed using CXCR4‐EGFP BAC transgenic mice. Expression of CXCR4 in the DG included cells that expressed nestin and GFAP as well as cells that appeared to be immature granule neurons expressing PSA‐NCAM, calretinin, and Prox‐1. CXCR4‐expressing cells in the DG were found in close proximity to immature granule neurons that expressed the chemokine SDF‐1/CXCL12. Cells expressing CXCR4 frequently coexpressed CCR2 receptors. These data support the hypothesis that chemokine receptors are important in regulating the migration of progenitor cells in postnatal brain. J. Comp. Neurol. 500:1007–1033, 2007. © 2006 Wiley‐Liss, Inc.
Kinetic Study on the Reaction of OH Radical with Dimethyl Sulfide in the Absence of Oxygen
Authors: González‐García Núria , González‐Lafont Àngels , Lluch José M.
Published: December 2006

A variational transition‐state theory calculation for the reaction of OH radical with dimethyl sulfide (DMS) in the absence of oxygen is presented. The potential energy surface was previously studied and the effects of different levels of theory were analyzed. Here we propose a kinetic model for the atmospheric DMS oxidation in the absence of oxygen. For the first time, addition of OH to DMS and CH3SOH elimination channels are connected, and the equilibrium approximation in the high‐pressure regime is applied to the DMS–OH adduct in the absence of oxygen. Both low‐ and high‐pressure limits are considered to analyze the two different mechanisms of the H‐abstraction channel, and two different kinetic approaches are applied to study them. The rate constants for the addition–elimination and H‐abstraction routes are compared and the branching ratios are also studied. Tunneling contributions and kinetic isotope effects are analyzed. We conclude, in agreement with experimental observations, that in the absence of oxygen DMS oxidation takes place via H‐abstraction with a branching ratio of 1.0 at atmospheric temperatures.
The three faces of Jay S. Rosenblatt
Authors: Fleming Alison S.
Published: December 2006

This essay provides an account of the development of Jay S. Rosenblatt's approach and contributions to the study of maternal behavior and the mother‐young relationship, focusing on the role in that development of his life as painter, analyst, and scientist. It is personal perspective. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 49: 2–11, 2007.
Maternal behavior, infant development, and the question of developmental resources
Authors: Moore Celia L.
Published: December 2006

The natural development of maternal and infant behavior occurs in a dyad characterized by synchrony and reciprocal interactions. Major concepts used to describe and analyze this synchrony were reviewed. It was concluded that the dyad undergoes a developmental progression in which each part of the dyad is both a developing organism and a reliably changing milieu forming part of the extended inheritance of the other. The reliability of inherited resources is rooted in interactions essential to life, such as those used to transfer metabolic needs to dependent offspring; to stimulation (incidentally but necessarily) associated with life‐supporting mechanisms; and to perceptual, motor, or learning mechanisms used to extract specific resources from the available milieu. The diverse resources in extended inheritance contribute to the construction of new traits through opportunistic shaping or regulating interactions among them that are unrestricted by their function at earlier stages. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 49: 45–53, 2007.
Mother rabbits and their offspring: Timing is everything
Authors: González‐Mariscal Gabriela
Published: December 2006

Mother rabbits nurse once every 24 hr for ca. 3 min. The contribution of pup stimulation to the regulation of this process was investigated by: reducing litter size to one pup, covering all the mother's nipples, or taping the mouths of an eight‐pup litter. Time inside the nest box with the young significantly increased under all these conditions. Yet, eight pups sucking on a single nipple allowed a normal time in the nest box. Bringing the litter to the mother earlier than usual promoted maternal behavior expression twice in 24 hr; the proportion of responsive females and the time at which they responded depended on the size of the litter suckled. These findings indicate that: (a) suckling determines the time inside the nest box and prevents mothers from responding to further pup stimulation for a variable time; (b) pup exposure promotes maternal behavior, even “out of phase” with circadian rhythmicity. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 49: 71–76, 2007.
Influence of the mother in the development of flavored‐food preference in lambs
Authors: Saint‐Dizier H. , Lévy F. , Ferreira G.
Published: December 2006

The aim of the study was to determine the influence of the mother in the development of flavored‐food preference in lambs. First, we demonstrated that lambs that ate flavored food in the presence of their mothers before weaning ate more of this food 1 month after weaning than lambs that ate flavored food with other ewes or lambs exposed to nonflavored food with their mothers. Second, lambs that could only see their mothers eating the flavored food and had access to the food's olfactory cues before weaning, showed similar preference for flavored food 1 month after weaning to lambs that ate the flavored food with their mothers. However, lambs that were separated from their mothers while their mothers consumed flavored food did not reveal a preference for it. Overall these results suggest that development of food preference in lambs depends mainly on observation of the mother, provided there is also access to olfactory cues characterizing the food. © 2006 Wiley Periodicals, Inc Dev Psychobiol 49: 98–106, 2007
Migratory patterns and developmental potential of trunk neural crest cells in the axolotl embryo
Authors: Epperlein Hans‐Henning , Selleck Mark A.J. , Meulemans Daniel , Mchedlishvili Levan , Cerny Robert , Sobkow Lidia , Bronner‐Fraser Marianne
Published: December 2006

Using cell markers and grafting, we examined the timing of migration and developmental potential of trunk neural crest cells in axolotl. No obvious differences in pathway choice were noted for DiI‐labeling at different lateral or medial positions of the trunk neural folds in neurulae, which contributed not only to neural crest but also to Rohon‐Beard neurons. Labeling wild‐type dorsal trunks at pre‐ and early‐migratory stages revealed that individual neural crest cells migrate away from the neural tube along two main routes: first, dorsolaterally between the epidermis and somites and, later, ventromedially between the somites and neural tube/notochord. Dorsolaterally migrating crest primarily forms pigment cells, with those from anterior (but not mid or posterior) trunk neural folds also contributing glia and neurons to the lateral line. White mutants have impaired dorsolateral but normal ventromedial migration. At late migratory stages, most labeled cells move along the ventromedial pathway or into the dorsal fin. Contrasting with other anamniotes, axolotl has a minor neural crest contribution to the dorsal fin, most of which arises from the dermomyotome. Taken together, the results reveal stereotypic migration and differentiation of neural crest cells in axolotl that differ from other vertebrates in timing of entry onto the dorsolateral pathway and extent of contribution to some derivatives. Developmental Dynamics 236:389–403, 2007. © 2006 Wiley‐Liss, Inc.
Anti‐OX40 stimulation in vivo enhances CD8+ memory T cell survival and significantly increases recall responses
Authors: Ruby Carl E. , Redmond William L. , Haley Daniel , Weinberg Andrew D.
Published: December 2006

There is growing evidence that engagement of OX40 (CD134), a member of the TNF receptor superfamily, can directly stimulate antigen‐specific CD8+ T cells. It has been shown that CD8+ T cells express OX40 following activation, but the response of antigen‐specific CD8+ T cells to OX40 stimulation has not been fully characterized. We utilized an antigen‐specific transgenic CD8+ T cell model (OT‐I) to determine if OX40 engagement can boost the generation of antigen‐specific CD8+ T cell memory. Our results demonstrate that enhanced OX40 costimulation, via an agonist anti‐OX40 antibody, increases CD25 and phospho‐Akt expression on the antigen‐specific CD8+ T cells and significantly increases the generation of long‐lived antigen‐specific CD8+ memory T cells. The increased numbers of memory CD8+ T cells generated via anti‐OX40 treatment still required the presence of CD4+ T cells for their long‐term maintenance in vivo. In addition, anti‐OX40 costimulation greatly enhanced antigen‐specific CD8+ T cell recall responses. These data show that OX40 engagement in vivo increases the number of antigen‐specific CD8+ memory T cells surviving after antigen challenge and has implications for the development of more potent vaccines against pathogens and cancer.
New vistas on macrophage differentiation and activation
Authors: Mantovani Alberto , Sica Antonio , Locati Massimo
Published: December 2006

Plasticity and heterogeneity are hallmarks of myelomonocytic differentiation and polarized activation. Evidence published in this issue of the European Journal of Immunology, together with other recent data, add new elements and perspectives to the current understanding of mononuclear phagocyte differentiation and activation and are discussed in this Commentary.

See accompanying articles http://dx.doi.org/10.1002/eji.200636054 and http://dx.doi.org/10.1002/eji.200636788
A Series of Cadmium(II) Coordination Polymers Synthesized at different pH Values
Authors: Guo Zhengang , Cao Rong , Li Xiaoju , Yuan Daqiang , Bi Wenhua , Zhu Xiandong , Li Yafeng
Published: December 2006

A new family of cadmium(II) coordination polymers, {[Cd(Hbic)2·(H2O)2]·2H2O}n (1), [Cd(Hbic)2]n (2), [Cd(Hbic)2·(H2O)]n (3), H2bic = 1H‐benzimidazole‐5‐carboxylic acid, has been hydrothermally prepared by the assembly of CdII with H2bic. A change in the pH values resulted in a series of compounds with different compositions and dimensionalities. Formed at the lowest pH, compound 1 has a two‐dimensional supramolecular structure, which contains 1D chains extended by hydrogen bonds. At a slightly higher pH, compound 2 is synthesized with a higher number of deprotonated carboxylate groups per cadmium atom. A further increase in the pH leads to 3D dinuclear compound 3 with yellow‐green emitting fluorescence. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Understanding the Mechanism of Superoxide Reductase Promoted Reduction of Superoxide (Eur. J. Inorg. Chem. 1/2007)
Authors: Brines Lisa M. , Kovacs Julie A.
Published: December 2006

The cover picture shows the role played by synthetic metalloenzyme analogues in uncovering the relationship between metalloenzyme active site structure, properties, and function at the molecular level. Details are presented in the Microreview by L. M. Brines and J. A. Kovacs on p. 29 ff.
Mycenarubins A and B, Red Pyrroloquinoline Alkaloids from the Mushroom Mycena rosea
Authors: Peters Silke , Spiteller Peter
Published: December 2006

Two previously unknown red alkaloid pigments, mycenarubin A (1), and a dimer thereof, mycenarubin B (6), have been isolated from fruiting bodies of Mycena rosea and the structures of these pyrroloquinoline alkaloids have been established by 2D NMR and ESI‐MS methods. Their absoluteconfigurations were determined by comparison of their CD spectra with the CD spectrum of a synthetic model compound. The fungal pigments are structurally related to the damirones, isolated from a marine sponge, and may be biosynthetically derived from tryptophan and S‐adenosylmethionine.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Tris(biphenyl‐4‐yl)silyl‐Endcapped Polyynes
Authors: Chalifoux Wesley A. , Ferguson Michael J. , Tykwinski Rik R.
Published: December 2006

The use of tris(biphenyl‐4‐yl)silyl (TBPS) as a large protecting group for polyynes has been investigated. The basic building block, TBPS–C≡C–TMS (1), is synthesized in a new “one‐pot” reaction through the sequential addition of lithiated nucleophiles to tetrachlorosilane. The TMS group of differentially protected 1 and the diyne 5 can be selectively removed in the presence of the TBPS group under mild conditions, allowing for the formation of TBPS‐endcapped di‐ and tetraynes (3 and 9) by oxidative homocoupling. For the triyne, TBPS–(C≡C)3–TMS (11), chemoselectivity for desilylation decreases dramatically, preventing formation of the corresponding hexayne. X‐ray crystallographic analysis of 3 confirms a diameter of 20 Å for the TBPS group. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Collaborative relationships in evaluation consulting
Authors: Maack Stephen C. , Upton Jan
Published: December 2006

This chapter explores how and why independent evaluation consultants form collaborative relationships with each other.
Client relations: More than just “business”
Authors: Malloy Courtney L. , Yee Patricia A.
Published: December 2006

This chapter reviews the literature on partnerships, along with examples from the field, to offer a model for the evolution of effective, collaborative evaluator‐client relationships.
Simulation of ship breaking bow waves and induced vortices and scars
Authors: Wilson Robert V. , Carrica Pablo M. , Stern Fred
Published: December 2006

An unsteady single‐phase level set RANS method is used to resolve and investigate bow wave breaking around a surface combatant advancing in calm water, including induced vortices and free surface scars. A level set free surface capturing approach was extended and combined with local overset grid refinement for resolution of complex interfacial topologies and small‐scale free surface features. Although the focus of the paper is on wave breaking at Fr=0.35, results over three speeds (Fr=0.28, 0.35, and 0.41) show that the method can accurately predict the changes in resistance and free surface topology, with the two highest speeds showing bow wave breaking. For the Fr=0.35 case, comparison of wave elevation results shows good agreement with the data, including the development and thickening of the bow wave sheet, sequential formation of two overturning plungers with reconnections, and the formation of two free surface scars at the reconnection sites. The computational fluid dynamics (CFD) solution shows a steep shoulder wave, similar to the experiment, but does not predict the experimentally observed weak spilling breaking shoulder wave. Although the current predictions converge to steady state, the region of unsteady free surface measured experimentally can be reasonably well predicted from the region of the simulation where the wave slope exceeds 17°. Comparisons of velocity components and axial vorticity at four cross planes show that the method can accurately predict the wake of low axial velocity and vortical cross flow associated with the breaking bow wave. In addition, the simulation is used to explain the initial development of the overturning bow wave, induced vortices and scars and to fill in the relatively sparse experimental data set by providing a global picture of the axial vortex structure near the free surface. Copyright © 2006 John Wiley & Sons, Ltd.
An implicit two‐dimensional non‐hydrostatic model for free‐surface flows
Authors: Ahmadi Afshin , Badiei Peyman , Namin Masoud M.
Published: December 2006

An implicit finite volume model in sigma coordinate system is developed to simulate two‐dimensional (2D) vertical free surface flows, deploying a non‐hydrostatic pressure distribution. The algorithm is based on a projection method which solves the complete 2D Navier–Stokes equations in two steps. First the pressure term in the momentum equations is excluded and the resultant advection–diffusion equations are solved. In the second step the continuity and the momentum equation with only the pressure terms are solved to give a block tri‐diagonal system of equation with pressure as the unknown. This system can be solved by a direct matrix solver without iteration. A new implicit treatment of non‐hydrostatic pressure, similar to the lower layers is applied to the top layer which makes the model free of any hydrostatic pressure assumption all through the water column. This treatment enables the model to evaluate both free surface elevation and wave celerity more accurately. A series of numerical tests including free‐surface flows with significant vertical accelerations and nonlinear behaviour in shoaling zone are performed. Comparison between numerical results, analytical solutions and experimental data demonstrates a satisfactory performance. Copyright © 2006 John Wiley & Sons, Ltd.
Adrenalectomy‐induced granule cell degeneration in the hippocampus causes spatial memory deficits that are not reversed by chronic treatment with corticosterone or fluoxetine
Authors: Spanswick Simon C. , Epp Jonathan R. , Keith Julian R. , Sutherland Robert J.
Published: December 2006

Long‐term adrenalectomy (ADX) causes a nearly complete and selective loss of granule cells in the dentate gyrus (DG) of the hippocampus. Previously, learning and memory deficits have been observed following ADX‐induced granule cell degeneration for tasks that require the hippocampus. Our objective here was to determine whether corticosterone (CORT) replacement and treatment with the neurogenic compound fluoxetine could reverse behavioral deficits after ADX. We trained ADX and control rats in a moving, hidden platform version of the Morris water task before chronic administration (6 weeks) of CORT and either fluoxetine or vehicle. After treatment, all rats were retested in the Morris water task. Brains were labeled for the endogenous neurogenic markers Ki67 and doublecortin. Here we provide evidence that neurogenesis persists at a normal rate in the hippocampus after long‐term ADX. After 8 weeks of CORT and fluoxetine administration, ADX‐fluoxetine rats did not differ significantly compared to ADX‐vehicle rats receiving CORT or compared to control rats in the number of Ki67 or doublecortin labeled cells. ADX‐fluoxetine rats also did not significantly differ from ADX‐vehicle rats in regards to granule cell layer thickness. Our results indicate that long‐term ADX is associated with impaired spatial ability in the Morris water task and that neither chronic treatment with CORT, nor with CORT and fluoxetine are capable of altering the Morris water task deficit. © 2006 Wiley‐Liss, Inc.
Comparison of drying methods in the fabrication of collagen scaffold via indirect rapid prototyping
Authors: Yeong Wai‐Yee , Chua Chee‐Kai , Leong Kah‐Fai , Chandrasekaran Margam , Lee Mun‐Wai
Published: December 2006

Porous collagen scaffolds with predefined 3‐dimesional (3‐D) networks of internal channels are fabricated via an indirect rapid prototyping technique. To obtain the scaffolds, two drying methods, namely critical point drying and freeze‐drying were investigated. The latter was found to be a more suitable process as it induced less shrinkage and reproduced the design morphology accurately. The resulting scaffold contained internal hollow channels with porous foam‐like structure occupying the surrounding volume. The mean diameter of the pores was 180 ± 60 μm and the channels diameter obtained was measured as 437 ± 100 μm. The channels were defined and strengthened by a layer of skin due to the process of freeze‐drying. These networks of internal channels serve to enhance the mass transport rate through the scaffold and help to increase the depth of cells penetration in the scaffold. © 2006 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 2006.
Effects of airborne‐particle abrasion, sodium hydroxide anodization, and electrical discharge machining on porcelain adherence to cast commercially pure titanium
Authors: Acar Aslı , İnan Özgür , Halkacı Selçuk
Published: December 2006

The aim of this study was to determine the effect of airborne‐particle abrasion (APA), sodium hydroxide anodization (SHA), and electrical discharge machining (EDM) on cast titanium surfaces and titanium–porcelain adhesion. Ninety titanium specimens were cast with pure titanium and the alpha‐case layer was removed. Specimens were randomly divided into three groups. Ten specimens from each group were subjected to APA. SHA was applied to the second subgroups, and the remaining specimens were subjected to the EDM. For the control group, 10 specimens were cast using NiCr alloy and subjected to only APA. Surfaces were examined by using scanning electron microscope and a surface profilometer. Three titanium porcelains were fused on the titanium surfaces, whereas NiCr specimens were covered with conventional porcelain. Titanium–porcelain adhesion was characterized by a 3‐point bending test. Statistical analysis showed that the porcelain–metal bond strength of the control group was higher than that of the titanium–porcelain system (p < 0.05). There were no significant differences between the bond strengths of titanium groups (p 0.05), except the bond strengths of Noritake Super Porcelain TI‐22 groups on which APA and SHA were applied (p < 0.05). SHA and EDM as surface treatment did not improve titanium–porcelain adhesion when compared to APA. © 2006 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 2006.
CHARMM force field parameters for simulation of reactive intermediates in native and thio‐substituted ribozymes
Authors: Mayaan Evelyn , Moser Adam , MacKerell Alexander D. , York Darrin M.
Published: December 2006

Force field parameters specifically optimized for residues important in the study of RNA catalysis are derived from density‐functional calculations, in a fashion consistent with the CHARMM27 all‐atom empirical force field. Parameters are presented for residues that model reactive RNA intermediates and transition state analogs, thio‐substituted phosphates and phosphoranes, and bound Mg2+and di‐metal bridge complexes. Target data was generated via density‐functional calculations at the B3LYP/6–311++G(3df,2p)// B3LYP/6–31++G(d,p) level. Partial atomic charges were initially derived from CHelpG electrostatic potential fitting and subsequently adjusted to be consistent with the CHARMM27 charges. Lennard‐Jones parameters were determined to reproduce interaction energies with water molecules. Bond, angle, and torsion parameters were derived from the density‐functional calculations and renormalized to maintain compatibility with the existing CHARMM27 parameters for standard residues. The extension of the CHARMM27 force field parameters for the nonstandard biological residues presented here will have considerable use in simulations of ribozymes, including the study of freeze‐trapped catalytic intermediates, metal ion binding and occupation, and thio effects. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 495–507, 2007
SODOCK: Swarm optimization for highly flexible protein–ligand docking
Authors: Chen Hung‐Ming , Liu Bo‐Fu , Huang Hui‐Ling , Hwang Shiow‐Fen , Ho Shinn‐Ying
Published: December 2006

Protein–ligand docking can be formulated as a parameter optimization problem associated with an accurate scoring function, which aims to identify the translation, orientation, and conformation of a docked ligand with the lowest energy. The parameter optimization problem for highly flexible ligands with many rotatable bonds is more difficult than that for less flexible ligands using genetic algorithm (GA)‐based approaches, due to the large numbers of parameters and high correlations among these parameters. This investigation presents a novel optimization algorithm SODOCK based on particle swarm optimization (PSO) for solving flexible protein–ligand docking problems. To improve efficiency and robustness of PSO, an efficient local search strategy is incorporated into SODOCK. The implementation of SODOCK adopts the environment and energy function of AutoDock 3.05. Computer simulation results reveal that SODOCK is superior to the Lamarckian genetic algorithm (LGA) of AutoDock, in terms of convergence performance, robustness, and obtained energy, especially for highly flexible ligands. The results also reveal that PSO is more suitable than the conventional GA in dealing with flexible docking problems with high correlations among parameters. This investigation also compared SODOCK with four state‐of‐the‐art docking methods, namely GOLD 1.2, DOCK 4.0, FlexX 1.8, and LGA of AutoDock 3.05. SODOCK obtained the smallest RMSD in 19 of 37 cases. The average 2.29 Å of the 37 RMSD values of SODOCK was better than those of other docking programs, which were all above 3.0 Å. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 612–623, 2007
Convergence of third order correlation energy in atoms and molecules
Authors: Kahn Kalju , Granovsky Alex A. , Noga Jozef
Published: December 2006

We have investigated the convergence of third order correlation energy within the hierarchies of correlation consistent basis sets for helium, neon, and water, and for three stationary points of hydrogen peroxide. This analysis confirms that singlet pair energies converge much slower than triplet pair energies. In addition, singlet pair energies with (aug)‐cc‐pVDZ and (aug)‐cc‐pVTZ basis sets do not follow a converging trend and energies with three basis sets larger than aug‐cc‐pVTZ are generally required for reliable extrapolations of third order correlation energies, making so the explicitly correlated R12 calculations preferable. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 547–554, 2007
A simple algorithm to accelerate the computation of non‐bonded interactions in cell‐based molecular dynamics simulations
Authors: Gonnet Pedro
Published: December 2006

Cell lists are ubiquitous in molecular dynamics simulations—be it for the direct computation of short‐range inter‐atomic potentials, the short‐range direct part of a long‐range interaction or for the periodic construction of Verlet lists. The conventional approach to computing pairwise interactions using cell lists leads to a large number of unnecessary interparticle distance calculations. In this paper, an algorithm is presented which reduces the number of spurious distance calculations by first sorting the particles along the cell pair axis and then only interacting two particles if their distance along the axis is smaller than the cutoff distance of the interaction. This approach is shown to be more efficient than the conventional approach and similar approaches using smaller cells. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 570–573, 2007
Blue‐shifting hydrogen bond in the benzene–benzene and benzene–naphthalene complexes
Authors: Hermida‐Ramón Jose M. , Graña Ana M.
Published: December 2006

Ab initiocomplete optimizations at MP2/6‐31++G** level have been performed in the T‐shaped geometry of the benzene–benzene and benzene–naphthalene complexes. To check the effect of the basis set superposition error (BSSE), optimizations have been done in the BSSE corrected and BSSE uncorrected potential energy surfaces. The BSSE effect in the calculation of the Hessian has also been evaluated to check its influence in the frequency values. Quantum theory atoms in molecules (QTAIM) calculations have also been performed on both dimers. Intermolecular energies differ around a 25% when the optimization is performed with or without counterpoise corrected gradients. The influence of BSSE is also noticeable in the distances. Frequency shifts show big changes because of the BSSE. Thus, uncorrected values are up 350% larger than corrected ones. The hypotheses given in the literature to explain the origin of the blue‐shifting hydrogen bond do not seem to give a suitable explanation for all characteristics of the behavior found in the studied systems. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 540–546, 2007
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations
Authors: Jurečka Petr , Černý Jiří , Hobza Pavel , Salahub Dennis R.
Published: December 2006

Standard density functional theory (DFT) is augmented with a damped empirical dispersion term. The damping function is optimized on a small, well balanced set of 22 van der Waals (vdW) complexes and verified on a validation set of 58 vdW complexes. Both sets contain biologically relevant molecules such as nucleic acid bases. Results are in remarkable agreement with reference high‐level wave function data based on the CCSD(T) method. The geometries obtained by full gradient optimization are in very good agreement with the best available theoretical reference. In terms of the standard deviation and average errors, results including the empirical dispersion term are clearly superior to all pure density functionals investigated—B‐LYP, B3‐LYP, PBE, TPSS, TPSSh, and BH‐LYP—and even surpass the MP2/cc‐pVTZ method. The combination of empirical dispersion with the TPSS functional performs remarkably well. The most critical part of the empirical dispersion approach is the damping function. The damping parameters should be optimized for each density functional/basis set combination separately. To keep the method simple, we optimized mainly a single factor, sR, scaling globally the vdW radii. For good results, a basis set of at least triple‐ζ quality is required and diffuse functions are recommended, since the basis set superposition error seriously deteriorates the results. On average, the dispersion contribution to the interaction energy missing in the DFT functionals examined here is about 15 and 100% for the hydrogen‐bonded and stacked complexes considered, respectively. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 555–569, 2007
Obestatin‐mediated proliferation of human retinal pigment epithelial cells: Regulatory mechanisms
Authors: Camiña Jesus P. , Campos Jacobo F. , Caminos J. Eduardo , Dieguez Carlos , Casanueva Felipe F.
Published: December 2006

In this work, we have evaluated the effect of the new discovered peptide obestatin on cell proliferation in primary cultures of human retinal epithelial cells (hRPE cells). The results showed that this peptide induced, in a dose‐dependent manner, cell proliferation by MEK/ERK 1/2 phosphorylation. A sequential analysis of the obestatin transmembrane signaling pathway showed that the ERK 1/2 activity is partially blocked after preincubation of the cells with pertussis toxin (PTX), as well as by wortmannin (an inhibitor of PI3K), claphostin C (an inhibitor of PKC), and PP2 (which inhibits the non receptor tyrosine kinase Src). Upon administration of obestatin, the intracellular levels of phospho‐PKCε‐, θ‐, and µ‐isoenzymes rise with different time courses, from which PKCε might be responsible for ERK 1/2 response. Based on the experimental data, a signaling pathway involving the consecutive activation of Gi, PI3K, novel PKC (probably PKCε), and Src for ERK 1/2 activation is proposed. These results incorporate a new mitogenic factor to the group of factors that regulate proliferation of hRPE cells. J. Cell. Physiol. 211: 1–9, 2007. © 2006 Wiley‐Liss, Inc.
Impaired activity of volume‐sensitive Cl− channel is involved in cisplatin resistance of cancer cells
Authors: Lee Elbert L. , Shimizu Takahiro , Ise Tomoko , Numata Tomohiro , Kohno Kimitoshi , Okada Yasunobu
Published: December 2006

The platinum‐based drug cisplatin is a widely used anticancer drug which acts by causing the induction of apoptosis. However, resistance to the drug is a major problem. In this study we show that the KCP‐4 human epidermoid cancer cell line, which serves as a model of acquired resistance to cisplatin, has virtually no volume‐sensitive, outwardly rectifying (VSOR) chloride channel activity. The VSOR chloride channel's molecular identity has not yet been determined, and semi‐quantitative RT‐PCR experiments in this study suggested that the channel corresponds to none of three candidate genes. However, because it is known that the channel current plays an essential role in apoptosis, we hypothesized that lack of the current contributes to cisplatin resistance in these cells and that its restoration would reduce resistance. To test this hypothesis, we attempted to restore VSOR chloride current in KCP‐4 cells. It was found that treatment with trichostatin A (TSA), a histone deacetylase inhibitor, caused VSOR chloride channel function to be partially restored. Treatment of the cells with both TSA and cisplatin resulted in an increase in caspase‐3 activity at 24 h and a decrease in cell viability at 48 h. These effects were blocked by simultaneous treatment of the cells with a VSOR chloride channel blocker. These results indicate that restoration of the channel's functional expression by TSA treatment leads to a decrease in the cisplatin resistance of KCP‐4 cells. We thus conclude that impaired activity of the VSOR chloride channel is involved in the cisplatin resistance of KCP‐4 cancer cells. J. Cell. Physiol. 211: 513–521, 2007. © 2006 Wiley‐Liss, Inc.
Community‐acquired pneumonia: Defining quality care
Authors: Seymann Gregory B.
Published: December 2006

BACKGROUND

Community‐acquired pneumonia (CAP) is one of 3 initial conditions for which the Joint Commission for Accreditation of Healthcare Organizations and the Centers for Medicare & Medicaid Services have defined quality measures. Eight “core measures” of pneumonia care have been targeted for reporting by U.S. hospitals to facilitate performance monitoring.

METHODS

A review of the literature supporting the core measures was performed.

RESULTS

Indicators encouraging influenza vaccination and appropriate antibiotic selection had the most robust evidence. Rapid delivery of antibiotics also showed significant reduction in mortality, though the actual timing (4 versus 8 hours) varied between studies. Other measures, such as performance of blood cultures, pneumococcal vaccination, smoking cessation, and oxygenation assessment, demonstrated less obvious clinical benefit.

CONCLUSIONS

There is inherent value in setting standards of care for high‐impact conditions such as CAP, but these standards should be chosen on the basis of high‐quality research. Public reporting of the current measures is problematic, as it implies they represent best practices for CAP despite relatively weak evidence. Journal of Hospital Medicine 2006;1:344–353. © 2006 Society of Hospital Medicine.
What effect does an educational intervention have on interns' confidence and knowledge regarding acute dyspnea management?. A randomized controlled trial
Authors: Reittinger Tracy M. , Kaufman Samuel R. , Saint Sanjay
Published: December 2006

BACKGROUND

Though acute dyspnea is commonly encountered in hospitalized patients, interns often receive only informal instruction in managing such patients. We hypothesized that formal instruction would improve interns' knowledge and confidence in managing patients with acute dyspnea.

METHODS

Twenty‐six internal medicine interns were randomized to receive either standard education or standard education plus the educational intervention. The educational intervention included two small‐group, case‐based discussions on acute dyspnea management. All participants completed pre‐ and post‐intervention surveys over four months that assessed their knowledge and confidence in managing patients with acute dyspnea.

RESULTS

Of the 16 interns in the intervention group, 14 attended one of the two small‐group sessions while seven attended both sessions. Mean confidence increased by 21.2% in the intervention group and 14.4% in the control group. The trend over time for both groups was significant (P < .001); the effect of the intervention was not (P = .19). Mean knowledge scores increased 7.6% in the intervention group and 5.5% in the control group. Again, the trend over time for both groups was significant (P < .01), but the effect of the intervention was not (P = .65). A per‐protocol analysis revealed a trend toward significance with mean scores increasing 15.6% (P = .067).

CONCLUSIONS

Our trial found that intern confidence and knowledge about acute dyspnea management increased significantly over time; however, no significant differences between the intervention and control groups were seen. The complete intervention was not administered to the majority of the intervention group, thereby skewing results to the null. The per‐protocol analysis suggests attendance at educational sessions may improve knowledge. Future interventions should use a more sensitive testing instrument, a larger sample, and a more powerful intervention. Journal of Hospital Medicine 2006;1:339–343. © 2006 Society of Hospital Medicine.
Improved use of thromboprophylaxis for deep vein thrombosis following an educational intervention
Authors: Cohn Steven L. , Adekile Ayoola , Mahabir Vishal
Published: December 2006

BACKGROUND

We evaluated venous thromboembolism (VTE) prophylaxis rates in hospitalized medical patients in a teaching hospital, the State University of New York–Downstate Medical Center–University Hospital of Brooklyn, before and after implementation of a multifaceted VTE prophylaxis quality improvement intervention that combined regular education, dissemination of a decision support tool, and regular audit‐and‐feedback to resident physicians.

METHODS

The charts of 312 hospitalized medical patients were retrospectively reviewed to assess baseline rates of appropriate VTE prophylaxis. Rates of appropriate VTE prophylaxis were then determined 12 and 18 months after implementation of the quality improvement intervention. Data collected included risk factors for VTE, contraindications to anticoagulant prophylaxis, type of VTE prophylaxis prescribed, and whether the prophylaxis was appropriate.

RESULTS

Most of the hospitalized medically ill patients had 3 or more risk factors for VTE. At baseline, the proportion of patients receiving any form of VTE prophylaxis, primarily unfractionated heparin, was 47%. The proportion of patients for whom a physician provided appropriate prophylaxis was 43%. After the intervention, the proportion of patients receiving prophylaxis significantly increased, to 86% at 12 months, and this level was maintained at 18 months. The rate of appropriate prophylaxis increased to 68% and 85% after 12 and 18 months, respectively.

CONCLUSIONS

The proportion of hospitalized medical patients receiving appropriate VTE prophylaxis as recommended by evidence‐based guidelines can be increased significantly by combining regular education, a decision support tool, and regular audit‐and‐feedback. Journal of Hospital Medicine 2006;1:331–338. © 2006 Society of Hospital Medicine.
Antiapoptotic mechanism of cannabinoid receptor 2 agonist on cisplatin‐induced apoptosis in the HEI‐OC1 auditory cell line
Authors: Jeong Hyun‐Ja , Kim Su‐Jin , Moon Phil‐Dong , Kim Na‐Hyun , Kim Jung‐Sun , Park Rae‐Kil , Kim Min‐Sun , Park Byung‐Rim , Jeong Sejin , Um Jae‐Young , Kim Hyung‐Min , Hong Seung‐Heon
Published: December 2006

Cisplatin is a highly effective chemotherapeutic agent but with significant ototoxic side effects. Apoptosis is an important mechanism of cochlear hair cell loss following exposure to an ototoxic level of cisplatin. The present study investigated the effects of the cannabinoid receptor 2 (CB2) ligand JWH‐015 on cisplatin‐induced apoptosis. CB2 mRNA was constitutively expressed in the auditory cell line HEI‐OC1. By using MTT assay, DNA fragmentation, and FACS analysis, we demonstrated that apoptosis induced by cisplatin was inhibited by treatment with JWH‐015 in a dose‐dependent manner. Activation of caspase‐3, caspase‐8, and caspase‐9 was detected after treatment with cisplatin, and the cleavage of poly‐(ADP)‐ribose polymerase (PARP) was observed within cisplatin‐treated HEI‐OC1 cells. JWH‐015 inhibited the activation of caspase‐3, caspase‐8, and caspase‐9; cleavage of PARP; and release of cytochrome c. JWH‐015 also inhibited the apoptosis through activation of the extracellular signal‐regulated kinase pathway. Finally, JWH‐015 inhibited cisplatin‐induced reactive oxygen species and tumor necrosis factor‐α production. Collectively, these findings show that blocking a critical step in apoptosis by using JWH‐015 may be a useful strategy to prevent harmful side effects of cisplatin ototoxicity in patients having to undergo chemotherapy. © 2006 Wiley‐Liss, Inc.
First indication of Storegga tsunami deposits from East Greenland
Authors: Wagner Bernd , Bennike Ole , Klug Martin , Cremer Holger
Published: December 2006

A 2.73 m long sediment sequence from Loon Lake, located at 18 m a.s.l. on outer Geographical Society Ø, East Greenland, was investigated for its chronology and changes in physical and biogeochemical properties, macrofossils, and grain‐size distribution. The predominance of marine fossils throughout the sequence, dated by 14C AMS to between 8630 and 7535 cal. yr BP, shows that the Loon Lake at that time was a marine basin, which according to existing sea‐level curves was about 15–35 m deep. The sequence mainly consists of fine grained homogeneous sediments, which are interrupted by a 0.72 m thick sandy horizon with erosive basis and distinct fluctuations in the grain‐size distribution and in the physical and biogeochemical properties. According to the radiocarbon dates, this sandy horizon was deposited after 8500–8300 cal. yr BP and is interpreted as originating from the Storegga tsunami. The record from Loon Lake provides the first indication of Storegga tsunami deposits from East Greenland. Copyright © 2006 John Wiley & Sons, Ltd.
Pulse shaping control of alignment dynamics in N2
Authors: de Nalda R. , Horn C. , Wollenhaupt M. , Krug M. , Bañares L. , Baumert T.
Published: December 2006

Control on the alignment transients of impulsively aligned ensembles of N2 molecules has been demonstrated by the use of laser pulses shaped by a spatial light modulator. An alignment experiment has been inserted in the feedback loop of an evolutionary algorithm that found optimum pulse shapes for a set of criteria. Optimum pulse shapes for the maximization of total alignment and for the control of certain aspects of the revival structures are given. The physical mechanisms responsible for the control are analysed with the help of single‐parameter control schemes and numerical simulations, which allowed us to explore the low‐temperature region. This approach sheds light on the role played by different control mechanisms for the alignment dynamics of a molecular ensemble. Copyright © 2006 John Wiley & Sons, Ltd.
Coherence functions of the electrical and the optical noises in monomodal packaged vertical cavity surface emitting lasers
Authors: Principato F , Ferrante G , Marin F
Published: December 2006

Calculations of the frequency noise spectra and of the coherence functions between the electrical and the optical noises for a single-mode packaged vertical surface emitting laser (VCSEL) are reported.A rate-equation model for an index guided VCSEL is used, implemented with the electrical noise model including the intrinsic device, the package and external bias network.The extended model works up to the laser relaxation frequency. The amplitude optical noise and its correlation with the frequency and electrical noises are also analysed. The influence on the calculated quantities of some electrical and laser parameters is evaluated. The results show that generally the frequency noise is correlated with the electrical noise only at low power near the threshold. Comparisons with existing experimental data show good agreement.
Stratum corneum architecture of reconstructed human skin models monitored by fluorescent confocal laser scanning microscopy
Authors: Kandárová H , Richter H , Liebsch M , Lademann J
Published: December 2006

Fluorescence confocal scanning laser microscopy (CLSM) using a handheld scanner, was performed to visualize the microscopic architecture ofstratum corneum(SC) of the three reconstructed human epidermal (RHE) models: EpiDermTM(MatTek Corporation, Ashland, MA), EPISKIN® (EPISKIN SNC, Lyon, France) and SkinEthic® (SkinEthic Laboratories, Nice, France). To compare the differences between the SC structure of the RHE models and human SC, experiments were also performed on normal human epidermisin vivo. Sodium fluorescein stained skin cultures and human skin were imaged continuously using the confocal laser microscope Stratum, Optiscan. Fluorescein was excited at 488 nm and the fluorescent emission was detected at > 505 nm. In each experiment, a series of representative images of each visualized layer of the RHE models and human SC was collected. Our early observations confirmed that the reconstructed human skin models closely resemble human SC. After improving the experimental conditions, the method might be used for studying the effects of topically applied compounds e.g. pharmaceuticals and cosmetic to the SC.
Cover Picture: Macromol. Mater. Eng. 12/2006
Authors: Okada Akane , Usuki Arimitsu
Published: December 2006

Cover: The picture on the cover shows a three‐dimensional SEM observation of the cross section of Nylon 6‐Clay Hybrid (NCH) films subjected to oxygen plasma treatment with various contents of clay. The clay stands perpendicular to the nylon 6 surface resembling a vertical cliff; we named it “nano wall”. The picture is used to compare the size with a glass fiber in Figure 2 of the original article. Further details can be found in the article by A. Okada* and A. Usuki on page 1449.
Uniform convergence for elliptic problems on varying domains
Authors: Arendt Wolfgang , Daners Daniel
Published: December 2006

Let Ω ⊂ ℝNbe (Wiener) regular. Forλ> 0 andf∈L∞(ℝN) there is a unique bounded, continuous functionu: ℝN→ ℝ solving

λu– Ωu=f in 𝔻(Ω)′,  u= 0 on ℝN\ Ω.

Given open sets Ωnwe introduce the notion ofregular convergenceof Ωnto Ω asn→ ∞. It implies that the solutionsunof (P) converge (locally) uniformly touon ℝN. WhereasL2‐convergence has been treated in the literature, our criteria for uniform convergence are new. The notion of regular convergence is very general. For instance the sequence of open sets obtained by cutting into a ball converges regularly. Other examples show that uniform convergence is possible even if the measure of Ωn\ Ω stays larger than a positive constant for alln∈ ℕ. Applications to spectral theory, parabolic equations and nonlinear equations are given. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
On the complex moment problem
Authors: Berezansky Yurij M. , Dudkin Mykola E.
Published: December 2006

The article is devoted to the solution of the infinite‐dimensional variant of the complex moment problem, and to the uniqueness of the solution. The main approach is illustrated for the best explanation on the one‐dimensional case. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)