bluuebunny/crossref_metadata_2025 huggingface dataset:
Improvement of the Electrochemical Performance of Ln0.58Sr0.4Fe0.8Co0.2O3 – δIT‐SOFC Cathodes by Ternary Lanthanide Combinations (La‐Pr‐Sm)
Authors: Vert V. B. , Serra J. M.
Published: May 2010

Active perovskite‐based SOFC cathodes have been developed through lanthanide combination in the (La1 –x –yPrxSmy)0.58Sr0.4Fe0.8Co0.2O3 – δsystem following a ternary mixture experimental design. These compositions were prepared through a sol–gel method and characterised by electrochemical impedance spectroscopy (EIS) as symmetrical cells on GDC‐electrolyte samples in the 450–650 °C temperature range. The electrochemical properties of the single lanthanide‐based Ln0.58Sr0.4Fe0.8Co0.2O3 – δcompounds were enhanced when different lanthanides were combined together in the same crystalline structure. The observed improvement does not follow a mere additional effect of the performance from the parent Ln0.58Sr0.4Fe0.8Co0.2O3 – δcompounds, i.e. it does not follow a linear behaviour, and the better performance is ascribed to synergetic catalytic effects among lanthanide cations. A reduction in electrode polarisation resistance with respect to non‐substituted compositions is stated for most Ln0.58Sr0.4Fe0.8Co0.2O3 – δelectrode compositions combining two or three lanthanides. Samarium addition to the electrode material involves a substantial reduction in the activation energy and the reduction degree is directly dependant on the samarium amount incorporated in the lattice. The best performing composition comprises a praseodymium‐rich lanthanum‐based electrode material. The experimental data derived from the ternary mixture design were modelled using nonlinear functions and this modelling allowed finding an electrode composition minimising the polarisation resistance while maintaining the activation energy at reduced values. Selected cathode compositions were tested in fully assembled anode‐supported cells and electrochemical characterisation supports the cooperative effect of lanthanide combination.
System Study on Hydrothermal Gasification Combined With a Hybrid Solid Oxide Fuel Cell Gas Turbine
Authors: Toonssen R. , Aravind P. V. , Smit G. , Woudstra N. , Verkooijen A. H. M.
Published: May 2010

The application of wet biomass in energy conversion systems is challenging, since in most conventional systems the biomass has to be dried. Drying can be very energy intensive especially when the biomass has a moisture content above 50 wt.% on a wet basis. The combination of hydrothermal biomass gasification and a solid oxide fuel cell (SOFC) gas turbine (GT) hybrid system could be an efficient way to convert very wet biomass into electricity. Therefore, thermodynamic evaluation of combined systems with hydrothermal gasification units and SOFC–GT hybrid units has been performed. Three hydrothermal gasification cases have been evaluated; one producing mainly methane, a second one producing a mixture of hydrogen and methane and the last one producing mainly hydrogen. These three gasification systems have been coupled to the same SOFC–GT hybrid system. All the integrated systems have electrical exergy efficiencies around 50%, therefore, the combination of supercritical water gasification and SOFC–GT hybrid systems seems promising. The overall system performance depends for a large part on the liquid gas separation. Further research is required for finding out the optimal separation conditions.
A Pumpless Methanol Feeding Method for Application in Direct Methanol Fuel Cell Systems
Authors: Geng J. , Li X. , Sun G. , Yi B.
Published: May 2010

This paper presents a simple and reliable pumpless methanol feeding (PLMF) method for application in direct methanol fuel cell (DMFC) systems. The primary feature and advantage of the PLMF is as follows: it employs an approach that allows the cathode gas pressure to be connected with a fuel container for supplying the methanol fuel into the anode fuel loop, instead of using any feeding pump or other specially designed apparatuses. The PLMF has been used in a portable 25 W DMFC system and realised feeding methanol in real time for meeting the requirements of the system. The PLMF method not only is suitable for the DMFC system, but also can be used in other liquid‐feeding fuel cell systems.
A balanced foreland–hinterland deformation model for the Southern Variscan belt of Sardinia, Italy
Authors: Casini Leonardo , Funedda Antonio , Oggiano Giacomo
Published: May 2010

Deformation related to orogenic collision has been investigated along a complete crustal section exposed throughout the Sardinian Variscides, Italy. The dynamics of grain‐scale deformation processes and palaeo‐differential stress have been examined within three major shear zones (Rosas Shear Zone—RSZ, Baccu Locci Shear Zone—BLSZ and Giuncana Badesi Shear Zone—GBSZ) developed at progressively deeper structural levels from the foreland to the inner zone during the D1 phase of shortening associated with Barrovian‐type metamorphism. Microstructural analysis reveals that the overall strain in quartz‐feldspathic and calc‐mylonites results from a combination of and, possibly, competition between several deformation mechanisms. At the sub‐greenschist level (RSZ), operating mechanisms are pressure‐solution associated with grain boundary sliding. Dislocation creep is the dominant process at the greenschist level (BLSZ), although pressure‐solution is still effective in zones of strain concentration. In the lower crust (GBSZ), deformation occurred in the range of 600–620°C and 0.7–0.9 GPa by a combination of dislocation creep and high‐T diffusional processes. Differential stresses inferred from quartz grain‐size and calcite twin piezometers decrease with increasing depth, as predicted by most common rheological models. Despite this general trend, the stress profile across each shear zone suggests a pronounced stress gradient towards the zone of maximum deformation, leading to an increase of strain‐rate up to two orders of magnitude. The results of this regional study demonstrate that both stress and strain within orogenic wedges are localized rather than distributed, allowing the crust to deform coherently at different structural levels. Copyright © 2010 John Wiley & Sons, Ltd.
Not all folds and thrusts in the Yangtze foreland thrust belt are related to the Dabie Orogen: Insights from Mesozoic deformation south of the Yangtze River
Authors: Li S.Z. , Zhao G.C. , Zhang G.W. , Liu X.C. , Dong S.W. , Wang Y.J. , Liu X. , Suo Y.H. , Dai L.M. , Jin C. , Liu L.P. , Hao Y. , Liu E.S. , Wang J. , Wang T.
Published: May 2010

The Yangtze foreland fold‐and‐thrust belt is located between the Mesozoic Dabie collisional orogen and the Mesozoic Jiangnan intraplate orogen in east‐central China. Three regional deformation events are recognized in the Dabie Orogen north of the Yangtze River. The earliest regional deformation (D1) corresponded to a southeastward compression that occurred during the subduction of the South China Plate below the North China Plate. Top‐to‐the‐southeast shearing coeval with Late Permian–Early Triassic blueschist facies metamorphism, was possibly associated with the development of regional gneissosity in the Dabie complexes and flat‐ramp‐style thrusts within the Neoproterozoic–Palaeozoic sedimentary cover, north of the Yangtze River. The main ductile deformation (D2) is also characterized by southeast‐verging overturned and recumbent folds, coeval with the early stage of exhumation of the high‐pressure rocks. A top‐to‐the‐SW thrusting and WNW‐striking open folds belong to a separate, later deformation phase, D3. Previous40Ar–39Ar mica dates ranging between 245 and 205 Ma suggest Late Permian–Early Jurassic ages for the D1 to D3 events. The foreland folds and thrusts related to these deformations in the Dabie Orogen flank the eastern and western ‘limbs’ of the Dabie Orogen but are absent in the front of it. In contrast to the deformation north of the Yangtze River, the deformation of Neoproterozoic–Palaeozoic sedimentary cover in the Jiangnan Orogen south of the Yangtze River is generally characterized by north‐verging folding and top‐to‐the‐north thrusting from Triassic to Jurassic times. Based on the differences of deformation and structural polarity between the south and north areas of the Yangtze River, we propose that the Yangtze foreland fold‐and‐thrust belt in the direct front of the Dabie Orogen is unrelated to the Dabie Orogen but resulted from the Jiangnan Orogen. Copyright © 2010 John Wiley & Sons, Ltd.
p130Cas, Crk-Associated Substrate Plays Essential Roles in Liver Development by Regulating Sinusoidal Endothelial Cell Fenestration†
Authors: Tazaki Tatsuya , Sasaki Takaaki , Uto Kenta , Yamasaki Norimasa , Tashiro Satoshi , Sakai Ryuichi , Tanaka Minoru , Oda Hideaki , Honda Zen-Ichiro , Honda Hiroaki
Published: May 2010

p130Cas, Crk-associated substrate (Cas), is an adaptor/scaffold protein that plays a central role in actin cytoskeletal reorganization. We previously showed that mice in which Cas was deleted (Cas−/−) died

in utero

because of early cardiovascular maldevelopment. To further investigate the

in vivo

roles of Cas, we generated mice with a hypomorphic Cas allele lacking the exon 2–derived region (Cas

Δ

ex2

/Δ

ex2

), which encodes Src homology domain 3 (SH3) of Cas. Cas

Δ

ex2

/Δ

ex2

mice again died as embryos, but they particularly showed progressive liver degeneration with hepatocyte apoptosis. Because Cas expression in the liver is preferentially detected in sinusoidal endothelial cells (SECs), the observed hepatocyte apoptosis was most likely ascribable to impaired function of SECs. To address this possibility, we stably introduced a Cas mutant lacking the SH3 domain (Cas ΔSH3) into an SEC line (NP31). Intriguingly, the introduction of Cas ΔSH3 induced a loss of fenestrae, the characteristic cell-penetrating pores in SECs that serve as a critical route for supplying oxygen and nutrients to hepatocytes. The disappearance of fenestrae in Cas ΔSH3–expressing cells was associated with an attenuation of actin stress fiber formation, a marked reduction in tyrosine phosphorylation of Cas, and defective binding of Cas to CrkII.

Conclusion:

Cas plays pivotal roles in liver development through the reorganization of the actin cytoskeleton and formation of fenestrae in SECs.
PNPLA3 Variants Specifically Confer Increased Risk for Histologic Nonalcoholic Fatty Liver Disease But Not Metabolic Disease†,‡
Authors: Speliotes Elizabeth K. , Butler Johannah L. , Palmer Cameron D. , Voight Benjamin F. , Hirschhorn Joel N.
Published: May 2010

Single nucleotide polymorphisms (SNPs) near 7 loci have been associated with liver function tests or with liver steatosis by magnetic resonance spectroscopy. In this study we aim to test whether these SNPs influence the risk of histologically-confirmed nonalcoholic fatty liver disease (NAFLD). We tested the association of histologic NAFLD with SNPs at 7 loci in 592 cases of European ancestry from the Nonalcoholic Steatohepatitis Clinical Research Network and 1405 ancestry-matched controls. The G allele of rs738409 in

PNPLA3

was associated with increased odds of histologic NAFLD (odds ratio [OR] = 3.26, 95% confidence intervals [CI] = 2.11-7.21;

P

= 3.6 × 10−43). In a case only analysis of G allele of rs738409 in

PNPLA3

was associated with a decreased risk of zone 3 centered steatosis (OR = 0.46, 95% CI = 0.36-0.58;

P

= 5.15 × 10−11). We did not observe any association of this variant with body mass index, triglyceride levels, high- and low-density lipoprotein levels, or diabetes (

P

> 0.05). None of the variants at the other 6 loci were associated with NAFLD.

Conclusion:

Genetic variation at

PNPLA3

confers a markedly increased risk of increasingly severe histological features of NAFLD, without a strong effect on metabolic syndrome component traits.
Prediction of heat exchanger performance by the thermal network method (Improvement of an evaporator's performance and restraining air flow bypass by adjusting the refrigerant‐flow path pattern)
Authors: Kaga Kunihiko , Kotoh Satoru , Ogushi Teturo , Yoshida Hideo
Published: May 2010

This paper presents the influence of latent heat load by changing the relative humidity of air flow distribution in the super‐heated gas region in an evaporator and the effect of the refrigerant flow path pattern. To estimate the influence, we applied the thermal network method that can consider refrigerant quality distribution in the heat exchanger. If the super‐heated gas region spreads to the upper wind row, humid air goes through the heat exchanger without drying, called “air flow bypass.” To suppress this phenomenon and simultaneously obtain the best performance, we chose an optimum path pattern on the basis of this method. As a result, the prediction shows that performance of the evaporator is recovered 5% for a simple 2‐row 2‐path heat exchanger when 40% of the unbalance of air flow rate occurs. © 2010 Wiley Periodicals, Inc. Heat Trans Asian Res; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/htj.20302
Development of a micro optical diffusion sensor using laser‐induced dielectrophoretic manipulation
Authors: Itani Koichi , Ebisui Akira , Taguchi Yoshihiro , Nagasaka Yuji
Published: May 2010

We have developed a novel micro optical diffusion sensor (MODS) based on laser‐induced dielectrophoresis (LIDEP), which enables rapid measurement with a small sample volume and on‐site sensing of protein conformation. This paper presents the measurement principle, the chip design, and the validity of the proposed method. To verify the applicability of MODS, we confirmed a sinusoidal concentration distribution of polystyrene beads in a surface‐modified microchannel generated by LIDEP force. The decay time of the diffusion of the concentration distribution agreed well with theoretical calculations, confirming the applicability of MODS as a technique for measuring the diffusion coefficient. © 2010 Wiley Periodicals, Inc. Heat Trans Asian Res; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/htj.20303
Subspace models for document script and language identification
Authors: Vikram T. N. , Gowda K. Chidananda
Published: May 2010

In this article, we explore the suitability of subspace models like 2DPCA [Yang et al., IEEE Trans Pattern Anal Machine Intelligence 26 (2004), 131–137], 2DFLD [Yang et al., Pattern Recogn 38 (2005), 1125–1129], etc. for document script and language identification. They are employed to identify language and script at both paragraph and word level. Elaborate experimentation has been conducted which has revealed that they are robust enough to handle highly confusing scripts and their performance does not degrade drastically even in the presence of noise. A generic language identification has been attempted in this work, to identify languages of both Asian and European origin by considering a dataset of 20 different languages. © 2010 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 20, 140–148, 2010
Fake iris detection based on 3D structure of iris pattern
Authors: Lee Eui Chul , Park Kang Ryoung
Published: May 2010

A new fake iris detection method based on 3D feature of iris pattern is proposed. In pervious researches, they did not consider 3D structure of iris pattern, but only used 2D features of iris image. However, in our method, by using four near infra‐red (NIR) illuminators attached on the left and right sides of iris camera, we could obtain the iris image in which the 3D structure of iris pattern could be shown distinctively. Based on that, we could determine the live or fake iris by wavelet analysis of the 3D feature of iris pattern. Experimental result showed that the Equal Error Rate (EER) of determining the live or fake iris was 0.33%. © 2010 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 20, 162–166, 2010
Brain networks: Graph theoretical analysis and development models
Authors: Cho Myoung Won , Choi M. Y.
Published: May 2010

A trendy method to understand the brain is to make a map representing the structural network of the brain, also known as theconnectome, on the scale of a brain region. Indeed analysis based on graph theory provides quantitative insights into general topological principles of brain network organization. In particular, it is disclosed that typical brain networks share the topological properties, such as small‐world and scale‐free, with many other complex networks encountered in nature. Such topological properties are regarded as characteristics of the optimal neural connectivity to implement efficient computation and communication; brains with disease or abnormality show distinguishable deviations in the graph theoretical analysis. Considering that conventional models in graph theory are, however, not adequate for direct application to the neural system, we also discuss a model for explaining how the neural connectivity is organized. © 2010 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 20, 108–116, 2010
DTI‐DROID: Diffusion tensor imaging‐deformable registration using orientation and intensity descriptors
Authors: Ingalhalikar Madhura , Yang Jinzhong , Davatzikos Christos , Verma Ragini
Published: May 2010

This article presents a method (DROID) for deformable registration of diffusion tensor (DT) images that utilizes the full tensor information by integrating the intensity and orientation features into a hierarchical matching framework. The intensity features are derived from eigen value based measures that characterize the tensor in terms of its different shape properties, such as, prolateness, oblateness, and sphericity of the tensor. Local spatial distributions of the prolate, oblate, and spherical geometry are used to create an attribute vector called the geometric/intensity feature for matching. The orientation features are the orientation histograms computed from the eigenvectors. These intensity and orientation features are incorporated into a hierarchical deformable registration framework to develop a deformable registration algorithm for DT images. Using orientation features improves the matching of the white matter fiber tracts by taking into account the underlying fiber orientation information. Extensive experiments on simulated and real brain DT data show promising results that makes DROID potentially useful for subsequent group‐based analysis of DT images to identify disease‐induced and developmental changes in a population. © 2010 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 20, 99–107, 2010
What are we missing here? Brain imaging evidence for higher cognitive functions in primary visual cortex V1
Authors: Muckli Lars
Published: May 2010

Functional magnetic resonance imaging (fMRI) and neuron electrophysiology (neurophysiology) are two well‐established ways to measure brain activity. Even though the spatial and temporal resolution of these techniques is very different, both measurements show a high level of consistency, i.e., for mapping feature preferences of cortical areas. There are, however, other striking differences between fMRI and neurophysiology, for example, fMRI has good accessibility to higher cognitive functions, a bias to measure synaptic activity, and a good sensitivity to detect feedback‐related activity, all of which can shed a new light on the function of well‐known brain areas like primary visual cortex, V1. Classically, it is believed that V1 cells are exhaustively characterized by their complex receptive field properties. Contrary to this view, however, fMRI shows that response properties in area V1 are spatially unstable, influenced by contextual information, and depend on internal states. This review will highlight some of the most striking new fMRI findings that show V1 is involved in higher cognitive functions. © 2010 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 20, 131–139, 2010
Relaxation time constants and apparent diffusion coefficients of rat retina at 7 Tesla
Authors: Nair Govind , Shen Qiang , Duong Timothy Q.
Published: May 2010

MRI has recently been applied to study the retina in vivo. Measurements of relaxation time constants (T1, T2, and T2*) and the apparent diffusion coefficient (ADC) of the retina would be useful to systemically optimize structural, physiological, and functional MRI contrasts. MRI studies were performed on 12 anesthetized and paralyzed rats. High‐resolution T1, T2, T2* and ADC of the rat eyes were measured at 50 × 50 × 800 μm at 7 Tesla. Profiles of T1, T2, T2* and ADC across the retinal thickness were analyzed. Region of interests of three layers across the retinal thickness were tabulated. This study demonstrated that high resolution T1, T2, T2* and ADC of the rat retina could be imaged. Profile analysis of T1, T2, T2* and ADC across the retinal thickness were helpful to minimize partial volume effects. T1, T2, T2* and ADC of the rat retina were overall similar to those of the brain. Quantitative T1, T2, T2* and ADC may change in retinal diseases and their measurements could help to stage retinal disease progression and monitor therapeutic intervention. © 2010 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 20, 126–130, 2010
10th international symposium on the synthesis and applications of isotopes and isotopically labelled compounds—applications of isotopes in organic and bioorganic reaction mechanisms Session 4, Wednesday, June 17, 2009
Authors: Klaas Schildknegt , Kristiina Wähälä
Published: May 2010

Abstract: The use of enzymes for the preparation of deuterium and tritium labelled biogenic amines was detailed. In addition, the direct labelling of Anti‐VEGF‐MAB with 188Re was discussed. Copyright © 2010 John Wiley & Sons, Ltd.
Examining the effects of leadership development on firm performance
Authors: Dalakoura Afroditi
Published: May 2010

The purpose of the current study was to identify the constructs that affect leadership development in an organization and investigate the impact of leadership development on firm performance. Using structural equation modeling, the study showed a positive relationship between differentiation strategies and leadership development. No relationship was found between environmental dynamism and leadership development or organizational size and leadership development. The positive impact of leadership development on firm performance, as measured through financial and market outcomes, was validated.
Liver transplantation for non-hepatocellular carcinoma malignancy: Indications, limitations, and analysis of the current literature
Authors: Grossman Eric J. , Millis Michael J.
Published: May 2010

Orthotopic liver transplantation (OLT) is currently incorporated into the treatment regimens for specific nonhepatocellular malignancies. For patients suffering from early-stage, unresectable hilar cholangiocarcinoma (CCA), OLT preceded by neoadjuvant radiotherapy has the potential to readily achieve a tumor-free margin, accomplish a radical resection, and treat underlying primary sclerosing cholangitis when present. In highly selected stage I and II patients with CCA, the 5-year survival rate is 80%. As additional data are accrued, OLT with neoadjuvant chemoradiation may become a viable alternative to resection for patients with localized, node-negative hilar CCA. Hepatic involvement from neuroendocrine tumors can be treated with OLT when metastases are unresectable or for palliation of medically uncontrollable symptoms. Five-year survival rates as high as 90% have been reported, and the Ki67 labeling index can be used to predict outcomes after OLT. Hepatic epithelioid hemangioendothelioma is a rare tumor of vascular origin. The data from single-institution series are limited, but compiled reviews have reported 1- and 10-year survival rates of 96% and 72%, respectively. Hepatoblastoma is the most common primary hepatic malignancy in children. There exist subtle differences in the timing of chemotherapy between US and European centers; however, the long-term survival rate after transplantation ranges from 66% to 77%. Fibrolamellar hepatocellular carcinoma is a distinct liver malignancy best treated by surgical resection. However, there is an increasing amount of data supporting OLT when resection is contraindicated. In the treatment of either primary or metastatic hepatic sarcomas, unacceptable survival and recurrence rates currently prohibit the use of OLT. Liver Transpl 16:930-942, 2010. © 2010 AASLD.
pH‐Responsive Vesicles from a Schizophrenic Diblock Copolymer
Authors: Du Jianzhong , O'Reilly Rachel K.
Published: May 2010

A novel tertiary amine and amino acid‐based “schizophrenic” pH‐responsive block copolymer, PDEA‐b‐PAP, has been synthesized by RAFT polymerization. By directly dissolving this copolymer in acid or basic aqueous solution block copolymer vesicles with switchable coronas and membranes were prepared. These novel assemblies were characterized using TEM, DLS, zeta potential, and SLS analysis.

magnified image
Free Volume and Swelling in Thin Films of Poly(N‐isopropylacrylamide) End‐Capped with n‐Butyltrithiocarbonate
Authors: Harms S. , Rätzke K. , Faupel F. , Egger W. , Ravello L. , Laschewsky A. , Wang W. , Müller‐Buschbaum P.
Published: May 2010

The free volume in thin films of poly(N‐isopropylacrylamid) end‐capped with n‐butyltriocarbonate (nbc‐PNIPAM) is probed with positron annihilation lifetime spectroscopy (PALS). The PALS measurements are performed as function of energy to obtain depth profiles of the free volume of nbc‐PNIPAM films. The range of nbc‐PNIPAM films with thicknesses from 40 to 200 nm is focused. With decreasing film thickness the free volume increases in good agreement with an increase in the maximum swelling capability of the nbc‐PNIPAM films. Thus in thin hydrogel films the sorption and swelling behavior is governed by free volume.

magnified image
The diagnostic challenge of primary dystonia: Evidence from misdiagnosis
Authors: Lalli Stefania , Albanese Alberto
Published: May 2010

Although the understanding of dystonia has improved in recent years, primary dystonia is still insufficiently recognized and patients may not receive the correct diagnosis, leading to transient or permanent misclassification of their symptoms. We reviewed cases of primary dystonia who were at first misdiagnosed and analyzed the reasons why the correct diagnosis was first missed and later retained. Primary dystonia is misdiagnosed mainly, but not exclusively, in favor of other movement disorders: Parkinson's disease (PD), essential tremor, myoclonus, tics, psychogenic movement disorder (PMD), and even headache or scoliosis. Accounts are more numerous for PD and PMD, where diagnostic tests, such as DAT scan and psychological assessment, support clinical orientation. The correct diagnosis was achieved in all cases following the recognition of inconsistencies in the first judgment and of distinctive clinical features of dystonia. These clues have been collected here and assembled into a diagnostic epitome. © 2010 Movement Disorder Society
Quantitative proteome analysis of detergent‐resistant membranes identifies the differential regulation of protein kinase C isoforms in apoptotic T cells
Authors: Solstad Therese , Bjørgo Elisa , Koehler Christian J. , Strozynski Margarita , Torgersen Knut Martin , Taskén Kjetil , Thiede Bernd
Published: May 2010

Several lines of evidence suggest that detergent‐resistant membranes (DRMs) (also known as lipid rafts and glycosphingolipid‐enriched microdomains) may have a role in signaling pathways of apoptosis. Here, we developed a method that combines DRMs isolation and methanol/chloroform extraction with stable isotope labeling with amino acids in cell culture‐based quantitative proteome analysis of DRMs from control and cisplatin‐induced apoptotic Jurkat T cells. This approach enabled us to enrich proteins with a pivotal role in cell signaling of which several were found with increased or decreased amounts in DRMs upon induction of apoptosis. Specifically, we show that three isoforms of protein kinase C (PKC) are regulated differently upon apoptosis. Although PKCα which belongs to the group of conventional PKCs is highly up‐regulated in DRMs, the levels of two novel PKCs, PKCη and PKCθ, are significantly reduced. These alterations/differences in PKC regulation are verified by immunoblotting and confocal microscopy. In addition, a specific enrichment of PKCα in apoptotic blebs and buds is shown. Furthermore, we observe an increased expression of ecto‐PKCα as a result of exposure to cisplatin using flow cytometry. Our results demonstrate that in‐depth proteomic analysis of DRMs provides a tool to study differential localization and regulation of signaling molecules important in health and disease.
Can Physiotherapy after Stroke Based on the Bobath Concept Result in Improved Quality of Movement Compared to the Motor Relearning Programme
Authors: Langhammer Birgitta , Stanghelle Johan K.
Published: May 2010

Background and Purpose. The primary aim of the present study was to investigate, based on data from our study in 2000, whether the Bobath approach enhanced quality of movement better than the Motor Relearning Programme (MRP) during rehabilitation of stroke patients.Methods. A randomized controlled stratified trial of acute stroke patients. The patients were treated according to Motor Relearning Programme and Bobath approach and assessed with Motor Assessment Scale, Sødring Motor Evaluation Scale, Nottingham Health Profile and the Barthel Index. A triangulation of the test scores was made in reference to the Movement Quality Model and biomechanical, physiological, psycho‐socio‐cultural, and existential themes.Results. The items arm (p= 0.02–0.04) sitting (p= 0.04) and hand (p= 0.01–0.03) were significantly better in the Motor Relearning Programme group than in the Bobath group, in both Sødring Motor Evaluation Scale and Motor Assessment Scale. Leg function, balance, transfer, walking and stair climbing did not differ between the groups. The Movement Quality Model and the movement qualities biomechanical, physiological and psycho‐socio‐cultural showed higher scoring in the Motor Relearning Programme group, indicating better quality of movement in all items. Regression models established the relationship with significant models of motor performance and self reported physical mobility (adjustedR20.30–0.68,p< 0.0001), energy (adjustedR20.13–0.14,p= 0.03–0.04, emotion (adjustedR20.30–0.38,p< 0.0001) and social interaction (arm function, adjustedR20.25,p= 0.0001).Conclusions. These analyses confirm that task oriented exercises of the Motor Relearning Programme type are preferable regarding quality of movement in the acute rehabilitation of patients with stroke. Copyright © 2010 John Wiley & Sons, Ltd.
A generalized approach to sampling backbone conformations with RosettaDock for CAPRI rounds 13–19
Authors: Sircar Aroop , Chaudhury Sidhartha , Kilambi Krishna Praneeth , Berrondo Monica , Gray Jeffrey J.
Published: May 2010

In CAPRI rounds 13–19, the most native‐like structure predicted by RosettaDock resulted in two high, one medium, and one acceptable accuracy model out of 13 targets. The current rounds of CAPRI were especially challenging with many unbound and homology modeled starting structures. Novel docking methods, including EnsembleDock and SnugDock, allowed backbone conformational sampling during docking and enabled the creation of more accurate models. For Target 32, α‐amylase/subtilisin inhibitor‐subtilisin savinase, we sampled different backbone conformations at an interfacial loop to produce five high‐quality models including the most accurate structure submitted in the challenge (2.1 Å ligand rmsd, 0.52 Å interface rmsd). For Target 41, colicin‐immunity protein, we used EnsembleDock to sample the ensemble of nuclear magnetic resonance (NMR) models of the immunity protein to generate a medium accuracy structure. Experimental data identifying the catalytic residues at the binding interface for Target 40 (trypsin‐inhibitor) were used to filter RosettaDock global rigid body docking decoys to determine high accuracy predictions for the two distinct binding sites in which the inhibitor interacts with trypsin. We discuss our generalized approach to selecting appropriate methods for different types of docking problems. The current toolset provides some robustness to errors in homology models, but significant challenges remain in accommodating larger backbone uncertainties and in sampling adequately for global searches. Proteins 2010. © 2010 Wiley‐Liss, Inc.
New hypotheses about the structure–function of proprotein convertase subtilisin/kexin type 9: Analysis of the epidermal growth factor‐like repeat A docking site using WaterMap
Authors: Pearlstein Robert A. , Hu Qi‐Ying , Zhou Jing , Yowe David , Levell Julian , Dale Bethany , Kaushik Virendar K. , Daniels Doug , Hanrahan Susan , Sherman Woody , Abel Robert
Published: May 2010

LDL cholesterol (LDL‐C) is cleared from plasma via cellular uptake and internalization processes that are largely mediated by the low‐density lipoprotein cholesterol receptor (LDL‐R). LDL‐R is targeted for lysosomal degradation by association with proprotein convertase subtilisin‐kexin type 9 (PCSK9). Gain of function mutations in PCSK9 can result in excessive loss of receptors and dyslipidemia. On the other hand, receptor‐sparing phenomena, including loss‐of‐function mutations or inhibition of PCSK9, can lead to enhanced clearance of plasma lipids. We hypothesize that desolvation and resolvation processes, in many cases, constitute rate‐determining steps for protein–ligand association and dissociation, respectively. To test this hypothesis, we analyzed and compared the predicted desolvation properties of wild‐type versus gain‐of‐function mutant Asp374Tyr PCSK9 using WaterMap, a new in silico method for predicting the preferred locations and thermodynamic properties of water solvating proteins (“hydration sites”). We compared these results with binding kinetics data for PCSK9, full‐length LDL‐R ectodomain, and isolated EGF‐A repeat. We propose that the fast kon and entropically driven thermodynamics observed for PCSK9‐EGF‐A binding stem from the functional replacement of water occupying stable PCSK9 hydration sites (i.e., exchange of PCSK9 H‐bonds from water to polar EGF‐A groups). We further propose that the relatively fast koff observed for EGF‐A unbinding stems from the limited displacement of solvent occupying unstable hydration sites. Conversely, the slower koff observed for EGF‐A and LDL‐R unbinding from Asp374Tyr PCSK9 stems from the destabilizing effects of this mutation on PCSK9 hydration sites, with a concomitant increase in the persistence of the bound complex. Proteins 2010. © 2010 Wiley‐Liss, Inc.
Structural comparison and classification of alpha‐helical transmembrane domains based on helix interaction patterns
Authors: Fuchs Angelika , Frishman Dmitrij
Published: May 2010

Structural classification of membrane proteins is still in its infancy due to the relative paucity of available three‐dimensional structures compared with soluble proteins. However, recent technological advances in protein structure determination have led to a significant increase in experimentally known membrane protein folds, warranting exploration of the structural universe of membrane proteins. Here, a new and completely membrane protein specific structural classification system is introduced that classifies α‐helical membrane proteins according to common helix architectures. Each membrane protein is represented by a helix interaction graph depicting transmembrane helices with their pairwise interactions resulting from individual residue contacts. Subsequently, proteins are clustered according to similarities among these helix interaction graphs using a newly developed structural similarity score called HISS. As HISS scores explicitly disregard structural properties of loop regions, they are more suitable to capture conserved transmembrane helix bundle architectures than other structural similarity scores. Importantly, we are able to show that a classification approach based on helix interaction similarity closely resembles conventional structural classification databases such as SCOP and CATH implying that helix interactions are one of the major determinants of α‐helical membrane protein folds. Furthermore, the classification of all currently available membrane protein structures into 20 recurrent helix architectures and 15 singleton proteins demonstrates not only an impressive variability of membrane helix bundles but also the conservation of common helix interaction patterns among proteins with distinctly different sequences. Proteins 2010. © 2010 Wiley‐Liss, Inc.
Structural studies of mutant forms of the PQQ‐forming enzyme PqqC in the presence of product and substrate
Authors: Puehringer Sandra , RoseFigura Jordan , Metlitzky Moritz , Toyama Hirohide , Klinman Judith P. , Schwarzenbacher Robert
Published: May 2010

Pyrroloquinoline quinone [4,5‐dihydro‐4,5‐dioxo‐1H‐pyrrolo[2,3‐f]quinoline‐2,7,9‐tricarboxylic acid (PQQ)] is a bacterial cofactor in numerous alcohol dehydrogenases including methanol dehydrogenase and glucose dehydrogenase. Its biosynthesis in Klebsiella pneumoniae is facilitated by six genes, pqqABCDEF and proceeds by an unknown pathway. PqqC is one of two metal free oxidases of known structure and catalyzes the last step of PQQ biogenesis which involves a ring closure and an eight‐electron oxidation of the substrate [3a‐(2‐amino‐2‐carboxyethyl)‐4,5‐dioxo‐4,5,6,7,8,9‐hexahydroquinoline‐7,9‐dicarboxylic acid (AHQQ)]. PqqC has 14 conserved active site residues, which have previously been shown to be in close contact with bound PQQ. Herein, we describe the structures of three PqqC active site variants, H154S, Y175F, and the double mutant R179S/Y175S. The H154S crystal structure shows that, even with PQQ bound, the enzyme is still in the “open” conformation with helices α5b and α6 unfolded and the active site solvent accessible. The Y175F PQQ complex crystal structure reveals the closed conformation indicating that Y175 is not required for the conformational change. The R179S/Y175S AHQQ complex crystal structure is the most mechanistically informative, indicating an open conformation with a reaction intermediate trapped in the active site. The intermediate seen in R179S/Y175S is tricyclic but nonplanar, implying that it has not undergone oxidation. These studies implicate a stepwise process in which substrate binding leads to the generation of the closed protein conformation, with the latter playing a critical role in O2 binding and catalysis. Proteins 2010. © 2010 Wiley‐Liss, Inc.
Whispering gallery modes in zinc oxide micro‐ and nanowires
Authors: Czekalla Christian , Nobis Thomas , Rahm Andreas , Cao Bingqiang , Zúñiga‐Pérez Jesús , Sturm Chris , Schmidt‐Grund Rüdiger , Lorenz Michael , Grundmann Marius
Published: May 2010

Optical whispering gallery mode (WGM) resonances have been observed in zinc oxide micro‐ and nanowire cavities. Using model calculations, the experimentally observed mode spectrum was reproduced. The effect has been observed for wire radii between 100 nm and 10 µm corresponding to angular mode numbers from 1 to about 250. The whispering gallery effect was used to determine the refractive index of the wires as a function of the photon energy and temperature. Under high excitation conditions, WGM lasing was observed. Two methods for calculating the complex resonant modes are presented: a simple plane wave model and the numerical solution of the Helmholtz equation for the given resonator geometry.

magnified image

A typical photoluminescence (PL) spectrum showing WGM resonances and (inset) a scanning electron microscopy (SEM) image of a zinc oxide (ZnO) microwire.
Molecular orientations at interfaces by extended polarizable continuum model
Authors: Wang Jing‐Bo , Ma Jian‐Yi , Li Xiang‐Yuan
Published: May 2010

This study presents an investigation into orientation of molecular solutes at the interface of liquid water and other media. The calculation of electrostatic free energy of molecular solute is based on an extension of the polarizable continuum model (PCM) to interfacial system. The extended PCM computational scheme is incorporated with the self‐consistent field procedure which is necessary to obtain more accurate electrostatic free energy and charge density distribution. The computation of non‐electrostatic energy for interfacial system is also realized. Applying the numerical procedure to molecular systems, N,N′‐diethyl‐p‐nitroaniline (DEPNA) at air/water interface and p‐nitrophenol (PNP) at cyclohexane/water interface, the average orientational angles are in reasonable agreement with the experimental results. Taking both the electrostatic and the non‐electrostatic energies into account, the analysis on the energy profiles shows that the electrostatic solvation energy is the dominant factor in determining the orientation angle for PNP, whereas for DEPNA, the orientation angle mainly depends on the cavitation energy. This suggests that, in addition to the electrostatic energy, taking the cavitation energy into account may provide a more complete view when we survey the molecular orientation at interface. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Using neural networks to solve nonlinear differential equations in atomic and molecular physics
Authors: Caetano C. , Reis J. L. , Amorim J. , Lemes M. Ruv , Pino A. Dal
Published: May 2010

To represent the solution of a differential equation by an artificial neural network (ANN) was an idea introduced by Lagaris. Sugawara applied this concept to solve Schrödinger's equation for select systems. We have submitted their method to a new kind of application. Here, for the first time, the approach is applied to the equations derived from density functional theory (DFT). At first, we have tested the procedure for two simple systems: the double harmonic oscillator and the hydrogen atom. The ANN solutions obtained for these simple systems reproduced the analytical results easily. Next, we have moved to the Tomas–Fermi theory and the Kohn–Sham formulation of DFT. In order to show the feasibility of the ANN representation of electronic density, we have solved the Hooke model‐atom and two light atoms: helium and lithium. The ANN results match well with the analytical solution to the Hooke model‐atom and with the numerical solutions for helium and lithium. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
A “classical” trajectory driven nuclear dynamics by a parallelized quantum‐classical approach to a realistic model Hamiltonian of benzene radical cation
Authors: Sardar Subhankar , Paul Amit Kumar , Sharma Rahul , Adhikari Satrajit
Published: May 2010

We explore the workability of a parallelized algorithm of time‐dependent discrete variable representation (TDDVR) methodology formulated by involving “classical” trajectories on each DOF of a multi‐mode multi‐state Hamiltonian to reproduce the population dynamics, photoabsorption spectra and nuclear dynamics of the benzene radical cation. To perform such dynamics, we have used a realistic model Hamiltonian consists of five lowest electronic states (X2E1g, B2E2g, C2A2u, D2E1u, and E2B2u) which are interconnected through several conical intersections with nine vibrational modes. The calculated nuclear dynamics and photoabsorption spectra with the advent of our parallelized TDDVR approach show excellent agreement with the results obtained by multiconfiguration time‐dependent Hartree method and experimental findings, respectively. The major focus of this article is to demonstrate how the “classical” trajectories for the different modes and the “classical” energy functional for those modes on each surface can enlight the time‐dependent feature of nuclear density and its' nodal structure. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Theoretical study of tetrahydrofuran: Comparative investigation of spectroscopic and structural properties between gas and liquid phases
Authors: Tunes da Silva Larissa , dos Santos Politi José Roberto , Gargano Ricardo
Published: May 2010

Rovibrational spectroscopic constant of tetrahydrofuran (THF) dimer have been calculated starting from three potential energy curves, each one obtained in a different way: (i) by ab initio calculations at MP2/aug‐cc‐pVDZ level; (ii) using Lennard‐Jones liquid parameters available in the literature, and (iii) from the pair obtained through Monte Carlo Simulation of liquid THF. The comparison among these results allowed the characterization of many solvent effect contributions. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Automatic determination of optimal linear drilling trajectories for cochlear access accounting for drill‐positioning error
Authors: Noble Jack H. , Majdani Omid , Labadie Robert F. , Dawant Benoit , Fitzpatrick J. Michael
Published: May 2010

Background

Cochlear implantation is a surgical procedure in which an electrode array is permanently implanted into the cochlea to stimulate the auditory nerve and allow deaf people to hear. Percutaneous cochlear access, a new minimally invasive implantation approach, requires drilling a single linear channel from the skull surface to the cochlea. The focus of this paper addresses a major challenge with this approach, which is the ability to determine, in a pre‐operative CT, a safe and effective drilling trajectory.

Methods

A measure of the safety and effectiveness of a given trajectory relative to sensitive structures is derived using a Monte Carlo approach. The drilling trajectory that maximizes this measure is found using an optimization algorithm.

Results

In tests on 13 ears, the technique was shown to find approximately twice as many acceptable trajectories as those found manually by an experienced surgeon.

Conclusions

Using this method, safe trajectories can be automatically determined quickly and consistently. Copyright © 2010 John Wiley & Sons, Ltd.
High Temperature Mechanical Properties of Micro‐alloyed Carbon Steel in the Mushy Zone
Authors: Guo L. , Li W. , Bobadilla M. , Yao M. , Shen H.
Published: May 2010

The tensile strength of a micro‐alloyed carbon steel in the mushy zone is investigated as well as the influence of temperature, strain rate and thermal histories. The parameters varied comprised thermal histories of both solidifying and reheating type and strain rates from 1 × 10−4 to 1 × 10−2 s−1 were tested using the physical simulation system Gleeble‐1500D. The measured results showed that tensile strength decreased with increasing test temperature in the mushy zone. The tensile strength with solidified type thermal history was lower than that with the reheated type, and the difference of tensile strength derived from the two thermal histories decreased with increasing cooling rate and increasing temperature. The tensile strength decreased with decreasing strain rate in the mushy zone. A viscoplastic constitutive equation with variables of deformation temperature, stress, strain rate, solid fraction and deformation activation energy was constructed. Moreover, the measured thermo‐mechanical parameters, such as zero strength temperature (ZST) and zero ductility temperature (ZDT), were consistent with those predicted according to the corresponding solid fractions.
Crystallization Behaviour of some Steelmaking Slags
Authors: Engström F. , Adolfsson D. , Yang Q. , Samuelsson C. , Björkman B.
Published: May 2010

The present study was aimed at highlighting the final properties of two different steelmaking slags which undergo different cooling rates. The experiments were conducted in laboratory scale using an induction furnace. One of the slags originates from an electric arc furnace (EAF) (high‐alloyed) and the second slag from a basic oxygen furnace (BOF). The treatment of the slag included re‐melting along with different cooling rates. The material collected from the tests was characterized through X‐ray diffraction, scanning electron microscopy as well as thermodynamic calculations which were compared with experimental results, for confirmation. The results indicate that both the EAF and BOF slags show increased reactivity with water, as well as a decrease in crystal size when rapid cooling is applied. The wüstite‐type solid solution (Mg,Fe,Mn)O varies in composition depending on the cooling conditions. Metastable Ca3SiO5 was found in the rapidly‐ cooled BOF slag.