bluuebunny/crossref_metadata_2025_split huggingface dataset:
A simple and efficient frit preparation method for one‐end tapered‐fused silica‐packed capillary columns in nano‐LC‐ESI MS
Authors: Tan Feng , Chen Shuo , Zhang Yangjun , Cai Yun , Qian Xiaohong 
Published: February 2010

AbstractA novel frit preparation method for one‐end tapered‐fused silica‐packed capillary columns in nano‐LC‐ESI MS was developed. A hollow‐fused silica capillary column with a tapered tip as nano‐spray emitter was filled with 5 μm C18 beads, and then a sintered frit about 0.25 mm in length was prepared at the tip by butane flame. A stainless steel protection tube with 0.5 mm id was used to control the length of the frit and to protect the packed C18 beads behind the sintered frit during the sintering. C18 sintered frits were evaluated by BSA tryptic digests with nano‐LC‐LTQ. The sintered frits did not produce post‐column band broadening due to very small volume (about 0.2 nL) and did not produce adsorption to sample. The sintered frit columns had good separation reproducibility and separation performance compared with self‐assembled particles frit columns and commercial columns.
Vision for mental health needs financial commitment
Authors: Titmarsh Steve 
Published: February 2010

AbstractNew Horizons: a shared vision for mental health1 is a cross‐government programme of action launched in December 2009, with the aim of improving the mental well‐being of people in England as well as the quality of mental health care. Here, Steve Titmarsh reports on the reactions of leading mental health charities Mind and Rethink to the launch of New Horizons. Copyright © 2010 Wiley Interface Ltd
Poly(ethylene oxide)‐like Plasma Polymers Produced by Plasma‐Assisted Vacuum Evaporation
Authors: Choukourov Andrei , Gordeev Ivan , Polonskyi Oleksandr , Artemenko Anna , Hanyková Lenka , Krakovský Ivan , Kylián Ondřej , Slavínská Danka , Biederman Hynek 
Published: February 2010

AbstractThermal decomposition of PEO under vacuum was used in combination with a glow discharge to deposit PEO‐like plasma polymer films. Evaporation without plasma allows the deposition of films with chemical composition very close to that of the original PEO, albeit with a lower average of molar mass. The application of plasma during vacuum evaporation leads to enhancement of crosslinking within the films, yet at the expense of reduced retention of ether structure. Non‐fouling properties and thrombogenicity of the plasma polymers were studied in terms of adhesion of blood proteins (albumin, immunoglobulin and fibrinogen) and promoting a thrombin induced fibrinogen/fibrin polymerization cascade.magnified image
Computational delineation of the catalytic step of a high‐fidelity DNA polymerase
Authors: Venkatramani Ravindra , Radhakrishnan Ravi 
Published: February 2010

AbstractThe Bacillus fragment, belonging to a class of high‐fidelity polymerases, demonstrates high processivity (adding ∼115 bases per DNA binding event) and exceptional accuracy (1 error in 106 nucleotide incorporations) during DNA replication. We present analysis of structural rearrangements and energetics just before and during the chemical step (phosphodiester bond formation) using a combination of classical molecular dynamics, mixed quantum mechanics molecular mechanics simulations, and free energy computations. We find that the reaction is associative, proceeding via the two‐metal‐ion mechanism, and requiring the proton on the terminal primer O3′ to transfer to the pyrophosphate tail of the incoming nucleotide before the formation of the pentacovalent transition state. Different protonation states for key active site residues direct the system to alternative pathways of catalysis and we estimate a free energy barrier of ∼12 kcal/mol for the chemical step. We propose that the protonation of a highly conserved catalytic aspartic acid residue is essential for the high processivity demonstrated by the enzyme and suggest that global motions could be part of the reaction free energy landscape.
Folding and membrane insertion of amyloid‐beta (25–35) peptide and its mutants: Implications for aggregation and neurotoxicity
Authors: Tsai Hui‐Hsu Gavin , Lee Jian‐Bin , Tseng Sheng‐Shiuan , Pan Xiao‐An , Shih Yuan‐Ci 
Published: February 2010

AbstractThe mechanisms of interfacial folding and membrane insertion of the Alzheimer's amyloid‐β fragment Aβ(25–35) and its less toxic mutant, N27A‐Aβ(25–35) and more toxic mutant, M35A‐Aβ(25–35), are investigated using replica–exchange molecular dynamics in an implicit water‐membrane environment. This study simulates the processes of interfacial folding and membrane insertion in a spontaneous fashion to identify their general mechanisms. Aβ(25–35) and N27A‐Aβ(25–35) peptides share similar mechanisms: the peptides are first located in the membrane hydrophilic region where their C‐terminal residues form helical structures. The peptides attempt to insert themselves into the membrane hydrophobic region using the C‐terminal or central hydrophobic residues. A small portion of peptides can successfully enter the membrane's hydrophobic core, led by their C‐terminal residues, through the formation of continuous helical structures. No detectable amount of M35A‐Aβ(25–35) peptides appeared to enter the membrane's hydrophobic core. The three studied peptides share a similar helical structure for their C‐terminal five residues, and these residues mainly buried within the membrane's hydrophobic region. In contrast, their N‐terminal properties are markedly different. With respect to the Aβ(25–35), the N27A‐Aβ(25–35) forms a more structured helix and is buried deeper within the membrane, which may result in a lower degree of aggregation and a lower neurotoxicity; in contrast, the less structured and more water‐exposed M35A‐Aβ(25–35) is prone to aggregation and has a higher neurotoxicity. Understanding the mechanisms of Aβ peptide interfacial folding and membrane insertion will provide new insights into the mechanisms of neurodegradation and may give structure‐based clues for rational drug design preventing amyloid associated diseases. Proteins 2010. © 2010 Wiley‐Liss, Inc.
Influence of quantum critical point of first‐order valence transition on Ce‐ and Yb‐based heavy fermions
Authors: Watanabe Shinji , Miyake Kazumasa 
Published: February 2010

AbstractInfluence of quantum critical point (QCP) of first‐order valence transition (FOVT) on Ce‐ and Yb‐based heavy fermions is discussed as a key origin of anomalies such as non‐Fermi liquid, metamagnetism, and unconventional superconductivity. Even in intermediate‐valence materials, the QCP of the FOVT is shown to be induced by applying the magnetic field, which creates a new characteristic energy distinct from the Kondo temperature. It is stressed that the key concept is closeness to the QCP of the FOVT by pointing out that the proximity of the QCP explains sharp contrast between X = Ag and X = Cd in YbXCu4, field‐induced valence crossover in X = Au, and field‐induced first‐order transition as well as non‐Fermi‐liquid critical behaviors in CeIrIn5. The valence fluctuations can be a key origin of unresolved phenomena in this family of materials.
A DFT study of determination of the reactive sites of the acetylcholine and its agonists: In the gas phase and dielectric medium
Authors: Serdaroğlu Goncagül 
Published: February 2010

AbstractThe reactive behavior of acetylcholine and its agonist molecules have been investigated using B3LYP hybrid density functional method at the 6‐311++G** basis set level, in the gas phase and aqueous phase. The calculations have been performed to obtain optimized geometries, relative reactivities, net atomic charges, HOMO, and LUMO energies. The solvent effect has been analyzed by using the continuum model (IPCM) and, the obtained results have shown that the all molecules have been stabilized more by solvent dielectric constant. For Ach and its analogues, it has been very well known that esteratic site and quaternary ammonium group which have reflected the difference in biological activity have been the two of the most important active site for interactions between molecule and its receptor. The structures of these analogues have provided an essential foundation for subsequent structure‐activity analysis of ligand binding at acetylcholine receptors, neuronal uptake inhibitors and transporters. Molecular modeling predictions will be important initial steps toward the development of novel pharmaceuticals in the fight acetylcholine‐related neurological disorders. This work is therefore expected to facilitate the design and development of new biologically active Ach analogues to treat Ach‐related neurological disorders and, specially is used to qualitative understanding of the reactivity and related properties and, so on can be used to a preselection of new ligands which at the moment is taken essentially from empirical knowledge. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
The lithium‐orientation effect on the hyperpolarizability in the short zigzag‐edged monolithiated aza‐Möbius graphene ribbon [2,7] isomers
Authors: Wang Yin‐Feng , Wang Yi , Li Zhi‐Ru , Li Zhuo , Xu Hong‐Liang , Sun Chia‐Chung 
Published: February 2010

AbstractIn the short zigzag‐edged aza‐Möbius graphene ribbon [2,7], a Li atom monosubstitutes the end H atom from the knot subring (1) to the subring (7), respectively, seven structures of short monolithiated aza‐Möbius graphene ribbon isomers [MöLi (1), MöLi (2), MöLi (3), MöLi (4), MöLi (5), MöLi (6), and MöLi (7)] with all the real frequencies are obtained at the B3LYP/6‐31G (d) level. The results of the static first hyperpolarizabilities (β0) show that lithiation effect on β0 is obvious. The β0 value of MöLi (4) (1019 a.u.) is about 4 times of 250 a.u. of the aza‐Möbius graphene ribbon. For the lithiated Möbius isomers, the lithium‐orientation effect is exhibited. The lithiated subring is or near the knot subring, the isomers [MöLi (1), MöLi (2), and MöLi (7)] have small β0 values, while that is far away from the knot subring, the isomers [MöLi (4) and MöLi (5)] have large β0 values. For the MöM (1) (M = Li, Na, and K), the alkali atomic number dependence for the static hyperpolarizability (α0) and β0 is found that both the α0 and β0 value increase with increasing the alkali atomic number in the orders of 275.27 (M = Li) < 279.75 (M = Na) < 284.77 a.u. and 352 (M = Li) < 590 (M = Na) < 706 a.u. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Development of a fast liquid chromatography/mass spectrometry screening method for angiotensin‐converting enzyme (ACE) inhibitors in complex natural mixtures like snake venom
Authors: Siemerink Mathijs , Schebb Nils Helge , Liesener André , Perchuc Anna‐Maria , Schöni Reto , Wilmer Marianne , Hayen Heiko , Karst Uwe , Vogel Martin 
Published: February 2010

AbstractA new robust high‐performance liquid chromatography/electrospray ionization mass spectrometry (HPLC/ESI‐MS)‐based screening method for angiotensin‐converting enzyme (ACE)‐inhibiting substances in crude samples is described. The ACE assay is carried out in a typical offline setup by incubation of the samples with ACE and angiotensin I (AI), followed by stopping the reaction with acetonitrile containing val5‐AI serving as internal standard (I.S.). AI and the product angiotensin II (AII) are extracted from the incubation mixture by turbulent‐flow chromatography (TFC) applied in backflush mode as online solid‐phase extraction and are directly quantified by ESI(+)‐MS. The presence of ACE inhibitors (ACEi) is detected by an increase in AI signal intensity and a corresponding decrease of AII signal, as compared to the blank assay. The overall time of analysis of the TFC/ESI‐MS method was 5 min, thus making the described setup suitable for a rapid screening method. The assay was validated using a known ACE inhibitor and the IC50values found were in good accordance with a common HPLC/UV method and literature data. The method was successfully applied for the screening of size‐exclusion chromatography fractions of the venom of the pitviperBothrops moojeni. Three of 18 analyzed fractions inhibited ACE, due to peptides present as components of this snake venom. These compounds were extracted from the two most‐active fractions by means of TFC and isolated by means of HPLC. Three peptides with ACE inhibitory activity were characterized and their structures were elucidated with ESI‐MS/MS‐basedde novosequencing to be ZKWPPGKVPP, ZKWPRPGPEIPP and ZNWPRPGPEIPP, respectively (Z = pyroglutamic acid). Copyright © 2010 John Wiley & Sons, Ltd.
Owners on both sides of the deal: mergers and acquisitions and overlapping institutional ownership
Authors: Goranova Maria , Dharwadkar Ravi , Brandes Pamela 
Published: February 2010

AbstractUsing a corporate governance lens, this study considers owners with a stake in both the acquiring and the target firms in the context of mergers and acquisitions. A possible agency problem arises with regard to monitoring implications as managers may be able to take advantage of compromised monitoring because overlapping owners may focus on the aggregate value for both the acquiring and the target firms and nonoverlapping owners may be interested only in the acquirer's side of the deal. The results suggest that when more owners overlap in their ownership of both the acquiring and target firms, the acquiring firms are more likely to experience decreased shareholder value through merger and acquisition deals. This effect, however, can be constrained by stronger board control. Copyright © 2010 John Wiley & Sons, Ltd.
Do leading or lagging firms learn more from exporting?
Authors: Salomon Robert , Jin Byungchae 
Published: February 2010

AbstractAn interesting theoretical debate arises when considering firm heterogeneity in learning from exporting. One perspective intimates that technologically lagging firms stand to benefit more from exporting because exposure to technological knowledge in foreign markets allows these firms to close the gap with their more technologically endowed counterparts. A contrasting perspective posits that technologically superior firms benefit more from exporting since these firms are better equipped to translate knowledge acquired in foreign markets into innovation. Using a sample of 1,744 Spanish manufacturing firms from 1990–1997, this study empirically investigates how exporting differentially influences the patent output of technologically leading versus technologically lagging firms. We find that exporting is associated with the ex post increase in innovative productivity for both technologically leading and lagging firms. However, subsequent to exporting, technologically leading firms apply for more patents than technologically lagging firms. Copyright © 2010 John Wiley & Sons, Ltd.
Shape Prediction of 3‐D Microstructures Fabricated by PCT Technique and Synchrotron Radiation Lithography
Authors: Horade Mitsuhiro , Sugiyama Susumu 
Published: February 2010

AbstractWe report in this paper simulations for deformed shape predictions of three‐dimensional (3‐D) microstructures fabricated by the plane pattern to cross‐section transfer (PCT) technique and synchrotron radiation (SR) lithography. The investigation of the shape‐prediction system enhances the possibility for higher accuracy of the prediction. In addition, the desired shapes can be confirmed by the shape prediction before designing the mask and running experiments. It is necessary to investigate a variety of error factors to shape prediction. We attempted various investigations. One of the possible causes could be the etching direction, which is dependent on the developing time. Therefore, we currently emphasize on the factor causing this error. In order to comprehend the mechanism of the factor, an algorithm that can simulate development was devised. We have developed a mathematical system of X‐ray energy distribution onto the PMMA (polymethylmethacrylate) resist, and the shape prediction is consequent to the simulations based on calculations from the mathematics software. The mathematical system for energy distribution depends on the SR light source, X‐ray mask specification, and resist specification. As a result, the predicted structures relevant to the absorbed energy–depth–position parameter set and absorbed energy–etching rate parameter set were obtained from this system. This system for shape prediction was implemented by the above parameter sets in C language. Copyright © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Field‐Dependent Distortion Coefficient and Backward Mapping for Distortion Correction of Singlet Lens Cameras
Authors: Zhang Yupeng , Ueda Toshitsugu 
Published: February 2010

AbstractThis paper introduces approaches to deal with distortion created by a singlet lens camera. Due to the inherent optical defect of singlet lenses, considerable lens aberrations will appear in the resulting image, especially at high field angles. Among the well‐known five monochromatic aberrations and two chromatic aberrations, distortion and blurring are the most obvious aberrations for the designed singlet lens. In this paper, we deal with two techniques for distortion correction: field‐dependent distortion coefficient and backward mapping method. The former will produce more accurate correction than obtained using third‐order coefficient and constant coefficients. The latter does not need additional interpolation process to fill up pixel vacancies and higher precision of pixel values can be obtained compared with our previous forward mapping method. Simulation results indicate the superiority of the proposed two techniques. Copyright © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Influence of a Measuring System to a Transient Voltage on a Vertical Conductor
Authors: Yutthagowith Peerawut , Ametani Akihiro , Nagaoka Naoto , Baba Yoshihiro 
Published: February 2010

AbstractThis paper studies the effect of a horizontal reference voltage wire, a current lead wire, and the impedance of a voltage probe when measuring a transient voltage on a vertical conductor. A hybrid frequency‐time domain (HFTD) method and a finite‐different time domain (FDTD) method with the help of VSTL are applied to investigate the effect of the horizontal reference voltage wire, the current lead wire, and the impedance of the voltage probe on measurement at the top of the vertical conductor. The obtained results show that the horizontal reference voltage wire perpendicular to the vertical conductor causes a minor effect, but the input capacitance of the voltage probe affects significantly the voltage measurement. Copyright © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Reagents for investigating MAPK signalling in model yeast species
Authors: Pincus David , Benjamin Kirsten , Burbulis Ian , Tsong Annie E. , Resnekov Orna 
Published: February 2010

AbstractHere we present a set of resources (bacterial expression plasmids and antibodies) for the interrogation of proteins involved in yeast MAPK signalling. We constructed bacterial protein expression plasmids for 25 proteins involved in MAPK signalling in budding yeast. From these constructs we expressed and purified proteins and generated rabbit polyclonal antibodies against 13 proteins in the pheromone MAPK pathway. We verified the specificity of the antibodies and employed them to follow pathway proteins in cells stimulated with pheromone. We show that these reagents can be used to detect pheromone‐induced post‐translational modifications and changes in the oligomeric state of pathway proteins. In addition to recognizing their target proteins in Saccharomyces cerevisiae, these antibodies allow the detection of predicted orthologues in the distant evolutionary relatives Kluyveromyces lactis and Schizosaccharomyces pombe. These antibodies are new tools for investigating MAPK signalling in model yeast species and may be useful for studying MAPK signalling in higher eukaryotes. Copyright © 2010 John Wiley & Sons, Ltd.
The biochemical basis of hereditary fructose intolerance
Authors: Bouteldja Nadia , Timson David J. 
Published: February 2010

AbstractHereditary fructose intolerance is a rare, but potentially lethal, inherited disorder of fructose metabolism, caused by mutation of the aldolase B gene. Treatment currently relies solely on dietary restriction of problematic sugars. Biochemical study of defective aldolase B enzymes is key to revealing the molecular basis of the disease and providing a stronger basis for improved treatment and diagnosis. Such studies have revealed changes in enzyme activity, stability and oligomerisation. However, linking these changes to disease phenotypes has not always been straightforward. This review gives a general overview of the features of hereditary fructose intolerance, then concentrates on the biochemistry of the AP variant (Ala149Pro variant of aldolase B) and molecular pathological consequences of mutation of the aldolase B gene.
Ecological, phenological and biochemical significance of bimodal fruiting of Boletus alutaceus morgan
Authors: Kamat Nandkumar 
Published: February 2010

AbstractBoletus alutaceus Morgan an ectomycorrhizal species was extensively studied from an ecologically fragmented microhabitt colonized by its' host plant Ficus benghalensis L. in the Goa University campus, Taleigao, Goa, India. Qualitatively the fruiting cycles were monitored for three years and thereafter detail ecological and morphological investigations were carried out in May and November 2004. A bimodal temporal fruting pattern emerged which may have significant ecological, phenological and biochemical role in EM dynamics.
iPHACE: integrative navigation in pharmacological space
Authors: Garcia-Serna Ricard , Ursu Oleg , Oprea Tudor I. , Mestres Jordi 
Published: February 2010

Abstract
Summary: The increasing availability of experimentally determined binding affinities for drugs on multiple protein targets requires the design of specific mining and visualization tools that graphically integrate chemical and biological data in an efficient environment. With this aim, we developed iPHACE, an integrative web-based tool to navigate in the pharmacological space defined by small molecule drugs contained in the IUPHAR-DB, with additional interactions present in PDSP. Extending beyond traditional querying and filtering tools, iPHACE offers a means to extract knowledge from the target profile of drugs as well as from the drug profile of protein targets.
Availability: iPHACE is available at http://cgl.imim.es/iphace/ (EU site) and http://agave.health.unm.edu/iphace/ (US mirror)
Contact: jmestres@imim.es
Generalized empirical likelihood methods for analyzing longitudinal data
Authors: Wang Suojin , Qian Lianfen , Carroll Raymond J. 
Published: February 2010

Abstract
Efficient estimation of parameters is a major objective in analyzing longitudinal data. We propose two generalized empirical likelihood-based methods that take into consideration within-subject correlations. A nonparametric version of the Wilks theorem for the limiting distributions of the empirical likelihood ratios is derived. It is shown that one of the proposed methods is locally efficient among a class of within-subject variance-covariance matrices. A simulation study is conducted to investigate the finite sample properties of the proposed methods and compares them with the block empirical likelihood method by You et al. (2006) and the normal approximation with a correctly estimated variance-covariance. The results suggest that the proposed methods are generally more efficient than existing methods that ignore the correlation structure, and are better in coverage compared to the normal approximation with correctly specified within-subject correlation. An application illustrating our methods and supporting the simulation study results is presented.