bluuebunny/crossref_metadata_2025_split huggingface dataset:
Utilisation review of clopidogrel: are they used under the FDA‐approved indications?
Authors: Niruntraporn Surachet , Chaiyakunapruk Nathorn , Nathisuwan Surakit , Thamlikitkul Visanu 
Published: June 2007

AbstractBackgroundClopidogrel has shown benefit in patients with increased risk of cardiovascular diseases. Due to its high acquisition cost and its increased use, this study was conducted to review the use of clopidogrel based on the Food and Drug Administration (FDA)‐approved indications and the ST‐segment elevation myocardial infarction (STEMI).MethodThis was a cross‐sectional study conducted at a tertiary‐care, university‐affiliated hospital in the Northern part of Thailand. Medical records of patients receiving clopidogrel during January 2005 to February 2006 were reviewed. Baseline characteristics of patients along with specific information regarding the use of clopidogrel were collected. Data were analysed using descriptive statistics.ResultA total of 191 patients were included in this utilisation review (95 and 96 were inpatient and outpatient, respectively). The use of clopidogrel was deemed appropriate in 82.7% of cases including 72.2% for FDA‐approved indications and 10.5% for STEMI. Clopidogrel/aspirin combination was indicated in 93 patients; however, 22 patients received clopidogrel monotherapy. On the contrary, 10 patients received clopidogrel/aspirin combination when only clopidogrel monotherapy was indicated. Moreover, 60% of patients who received clopidogrel monotherapy had no history of aspirin intolerance or recurrent events while on aspirin therapy.ConclusionThe results showed that the majority of clopidogrel use was deemed appropriate based on FDA‐approved indications and for medically justified indication. However, a significant number of patients received clopidogrel instead of aspirin while no aspirin intolerance was documented. Therefore, efforts should be made to promote the appropriate use of this agent to improve patient outcomes. Copyright © 2007 John Wiley & Sons, Ltd.
Investigation into the ROMP copolymerization of peptide‐ and PEG‐functionalized norbornene derivatives
Authors: Biagini Stefano C. G. , Parry Alison L. 
Published: June 2007

AbstractThe ring‐opening metathesis polymerizations (ROMP), using RuCl2 (PCy3)2CHPh, of a series of peptide‐functionalized norbornene derivatives have been investigated. Incorporation of a PEG‐monomer was found to prevent premature precipitation of polymer strands during the course of polymerization reactions and yield water compatible polymers in high conversions. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3178–3190, 2007
Identification of differentially expressed proteins in papillary thyroid carcinomas with V600E mutation of BRAF
Authors: Puxeddu Efisio , Susta Federica , Orvietani Pier Luigi , Chiasserini Davide , Barbi Flavia , Moretti Sonia , Cavaliere Antonio , Santeusanio Fausto , Avenia Nicola , Binaglia Luciano 
Published: June 2007

AbstractBRAF, a serine/threonine kinase of the RAF family, is a downstream transducer of the RAS‐regulated MAPK pathway. V600E mutation of BRAF protein is the most common genetic alteration occurring in papillary thyroid carcinomas and is prognostic of poor clinicopathological outcomes. Protein expression in the subclass of PTC bearing the BRAFV600E mutation was investigated by using 2‐DE and MS/MS techniques and compared to that of matched normal thyroid tissues from seven patients. 2‐D gel image analysis revealed that the expression of eight polypeptide spots, corresponding to five proteins, were significantly underexpressed in PTC bearing BRAFV600E mutation whereas 25 polypeptides, representing 19 distinct proteins, were significantly upregulated in tumour tissue, as compared to normal thyroid. Among the differentially expressed polypeptides, mitochondrial proteins, ROS‐scavenger enzymes, apoptosis‐related proteins as well as proteins involved in tumour cell proliferation were identified. Although dissimilarities between the present results and those previously reported can be ascribed to the use of different 2‐DE techniques, the possibility that BRAFV600E mutation is responsible for changes in protein expression distinct from those induced by other oncogenes cannot be ruled out.
Crystal structure of glutathione reductase Glr1 from the yeast Saccharomyces cerevisiae
Authors: Yu Jiang , Zhou Cong‐Zhao 
Published: June 2007

AbstractYeast glutathione (GSH) reductase Glr1 is a dimeric flavo‐oxidoreductase involved in cytoplasmic and mitochondrial redox regulatory systems. It reduces the oxidized GSH GSSG to the reduced form, GSH with NADPH as electron donor and FAD as coenzyme. Crystal structures and enzymatic mechanisms of GSH reductases from Escherichia coli and Homo sapiens have been well investigated, whereas the structural prosperities of yeast Glr1 remain unknown. Herein, we overexpressed Saccharomyces cerevisiae Glr1 in Pichia pastoris GS115 and determined its crystal structure at 2.40 Å resolution. Although the overall structure and the active site are much conserved, obvious variety was found at the interface of Glr1 monomers when superimposed against the homolog from E. coli or human. The nonconserved C239 is exposed to the solvent and accessible to GSH or GSSG enriched in a microenvironment around the Glr1 molecules, leading to the partial and transient glutathionylation, as primarily identified from the 2Fo–Fc electron density map and further confirmed by biochemical assays. Meanwhile N278 at the vicinity of NADP‐binding pocket was artificially glycosylated when heterogeneously overexpressed in P. pastoris. The highly motile oligosaccharide chain linked to N278 of the recombinant Glr1 interferes with the entry of NADPH, which results in a dramatic increase of Km for NAPDH and a significant decrease of turnover number, when compared with the native protein. Proteins 2007. © 2007 Wiley‐Liss, Inc.
Computing van der Waals energies in the context of the rotamer approximation
Authors: Grigoryan Gevorg , Ochoa Alejandro , Keating Amy E. 
Published: June 2007

AbstractThe rotamer approximation states that protein side‐chain conformations can be described well using a finite set of rotational isomers. This approximation is often applied in the context of computational protein design and structure prediction to reduce the complexity of structural sampling. It is an effective way of reducing the structure space to the most relevant conformations. However, the appropriateness of rotamers for sampling structure space does not imply that a rotamer‐based energy landscape preserves any of the properties of the true continuous energy landscape. Specifically, because the energy of a van der Waals interaction can be very sensitive to small changes in atomic separation, meaningful van der Waals energies are particularly difficult to calculate from rotamer‐based structures. This presents a problem for computational protein design, where the total energy of a given structure is often represented as a sum of precalculated rigid rotamer self and pair contributions. A common way of addressing this issue is to modify the van der Waals function to reduce its sensitivity to atomic position, but excessive modification may result in a strongly nonphysical potential. Although many different van der Waals modifications have been used in protein design, little is known about which performs best, and why. In this paper, we study 10 ways of computing van der Waals energies under the rotamer approximation, representing four general classes, and compare their performance using a variety of metrics relevant to protein design and native‐sequence repacking calculations. Scaling van der Waals radii by anywhere from 85 to 95% gives the best performance. Linearizing and capping the repulsive portion of the potential can give additional improvement, which comes primarily from getting rid of unrealistically large clash energies. On the other hand, continuously minimizing individual rotamer pairs prior to evaluating their interaction works acceptably in native‐sequence repacking, but fails in protein design. Additionally, we show that the problem of predicting relevant van der Waals energies from rotamer‐based structures is strongly nonpairwise decomposable and hence further modifications of the potential are unlikely to give significant improvement. Proteins 2007. © 2007 Wiley‐Liss, Inc.
An automated decision‐tree approach to predicting protein interaction hot spots
Authors: Darnell Steven J. , Page David , Mitchell Julie C. 
Published: June 2007

AbstractProtein–protein interactions can be altered by mutating one or more “hot spots,” the subset of residues that account for most of the interface's binding free energy. The identification of hot spots requires a significant experimental effort, highlighting the practical value of hot spot predictions. We present two knowledge‐based models that improve the ability to predict hot spots: K‐FADE uses shape specificity features calculated by the Fast Atomic Density Evaluation (FADE) program, and K‐CON uses biochemical contact features. The combined K‐FADE/CON (KFC) model displays better overall predictive accuracy than computational alanine scanning (Robetta–Ala). In addition, because these methods predict different subsets of known hot spots, a large and significant increase in accuracy is achieved by combining KFC and Robetta–Ala. The KFC analysis is applied to the calmodulin (CaM)/smooth muscle myosin light chain kinase (smMLCK) interface, and to the bone morphogenetic protein‐2 (BMP‐2)/BMP receptor‐type I (BMPR‐IA) interface. The results indicate a strong correlation between KFC hot spot predictions and mutations that significantly reduce the binding affinity of the interface. Proteins 2007. © 2007 Wiley‐Liss, Inc.
Analyses of pesticide residues in fruit‐based baby food by liquid chromatography/electrospray ionization time‐of‐flight mass spectrometry
Authors: Gilbert‐López Bienvenida , García‐Reyes Juan F. , Ortega‐Barrales Pilar , Molina‐Díaz Antonio , Fernández‐Alba Amadeo R. 
Published: June 2007

AbstractA liquid chromatography/electrospray ionization time‐of‐flight mass spectrometry (LC/ESI‐TOFMS) method has been developed for the determination of 12 pesticides (namely, carbendazim, thiabendazole, imazalil, tridemorph, triadimefon, bitertanol, prochloraz, flutriafol, myclobutanil, iprodione, diphenylamine and procymidone) in fruit‐based baby food (multi‐fruit jars and juices intended for infant consumption). The developed method consists of a sample treatment step based on liquid‐liquid extraction using acetonitrile, followed by a clean‐up step based on dispersive solid‐phase extraction (SPE) with a primary‐secondary amine (PSA). Multi‐fruit and apple juices were processed by a SPE procedure using Oasis HLB™ cartridges. Subsequent identification and quantitation was accomplished by LC/ESI‐TOFMS analysis: the confirmation of the target pesticides was based on accurate mass measurements of selected ions (protonated molecules ([M+H]+) and fragment ions). Confirmation studies were accomplished at low concentration levels (10 µg kg−1) and accuracy errors lower than 2 ppm were obtained in most cases. Baby food extracts spiked at 10 µg kg−1 fortification level yielded average recoveries in the range 78–105% with relative standard deviations less than 10% for most of the analytes. Limits of detection (LODs) were between 0.1 and 4 µg kg−1 depending on the pesticide studied. Finally, the proposed method was applied to a total of 33 baby food samples from Spain and the United Kingdom. Although imazalil, thiabendazole and carbendazim were detected in a high number – over 60%– of baby food samples, none of the samples tested were found to be above the 0.01 mg kg−1 EU standard. Copyright © 2007 John Wiley & Sons, Ltd.
Rapid structural determination of new trace cassaine‐type diterpenoid amides in fractions from Erythrophleum fordii by liquid chromatography‐diode‐array detection/electrospray ionization tandem mass spectrometry and liquid chromatography/nuclear magnetic resonance
Authors: Qu Jing , Wang Ying‐Hong , Li Jian‐Bei , Yu Shi‐Shan , Li Yuan , Liu Yun‐Bao 
Published: June 2007

AbstractElectrospray ionization multi‐stage tandem mass spectrometry (ESI‐MSn), and combination with HPLC (HPLC/ESI‐MSn), have been extensively applied to on‐line analysis of natural products. Hyphenation of liquid chromatography to nuclear magnetic resonance spectroscopy (HPLC/NMR) has been developed in the last decade, which is utilized for the analysis of metabolites and drug impurities. In the study reported here, the fragmentation behaviors of eight cassaine‐type diterpenoid amides from Erythrophleum fordii were investigated by ESI‐MSn. The fragmentation rules and NMR spectral characteristics are summarized, and the relationship among the rules, characteristics and the structures is described. According to the fragmentation rules and NMR spectral characteristics, seven trace constituents and two formerly obtained compounds of cassaine‐type diterpenoid amides in the fractions from E. fordii were structurally characterized on the basis of HPLC/HRMS, HPLC‐DAD/ESI‐MSn, HPLC/1H NMR and HPLC/1H‐1H COSY rapidly. Among them, constituents 1–5 are new compounds, and 6 and 7 are reported from E. fordii for the first time. The aim is to develop an effective analytical method for structural identification of new trace natural products in plants. Copyright © 2007 John Wiley & Sons, Ltd.
Environmentally Friendly Methodologies of Nanostructure Synthesis
Authors: Mao Yuanbing , Park Tae‐Jin , Zhang Fen , Zhou Hongjun , Wong Stanislaus S. 
Published: June 2007

AbstractEnvironmentally friendly synthetic methodologies have gradually been implemented as viable techniques in the synthesis of a range of nanostructures. In this work, we focus on the application of green‐chemistry principles to the synthesis of complex metal oxide and fluoride nanostructures. In particular, we describe advances in the use of the molten‐salt synthetic methods, hydrothermal protocols, and template‐directed techniques as environmentally sound, socially responsible, and cost‐effective methodologies that allow us to generate nanomaterials without the need to sacrifice sample quality, purity, and crystallinity, while allowing control over size, shape, and morphology.
On the Generalized Sampling Theorem, Generalized Frequency, and Generalized Band‐Limited Spectrum Function
Authors: Takizawa Éi Iti 
Published: June 2007

AbstractA generalized sampling theorem is presented, by which a continuous function can be reconstructed from its sampled values and sampled higher order derivatives. Several remarks are made on the generalized sampling formula presented here. The generalized frequency and the generalized band‐limited spectrum function are discussed in relation to the generalized sampling theorem. The condition for establishing the generalized sampling theorem is stated in terms of the generalized frequency. The bound for truncation error of the generalized sampling expansion is briefly mentioned.
Das Jacobi‐Verfahren für Ax = λBx
Authors: Gose Günther 
Published: June 2007

AbstractFalk und Langemeyer machten 1960 einen Vorschlag zur Verallgemeinerung der wohlbekannten Jacobi‐Methode für Ax = λx auf das allgemeine Eigenwertproblem Ax = λBx. Sie schlugen die gleichzeitige Reduktion von A und B auf Diagonalform durch eine Folge gewisser elementarer Transformationen vor. Dabei annuliert eine Transformation die Elemente im Durchschnitt von Zeile p mit Spalte q, p < q. Die numerischen Ergebnisse waren zufriedenstellend, aber ein Konvergenzbeweis wurde nicht gegeben. In dieser Arbeit wird gezeigt, daß eine Skalierung der Transformationsmatrizen und Regeln für die Wahl von p und q existieren, so daß alle Eigenwerte von Ax = λBx mit jeder vorgegebenen Genauigkeit approximiert werden können.
A Simple Derivation of Representations for Non‐Polynomial Constitutive Equations in Some Cases of Anisotropy
Authors: Boehler Jean‐Paul 
Published: June 2007

AbstractA method is developed allowing to establish irreducible representations for anisotropic non‐polynomial constitutive equations. The case when a constitutive equation takes the form of an explicit relation between two symmetric second order tensoers is considered in detail. Transitions from the most general anisotropy to particular cases of anisotropy are established. As an example the transition from the general non linear forms to the case of classical linear elasticity is given. It appears that for the considered case of tensor functions the irreducible representations for the non‐polynomial case are similar to those concerning a polynomial function. This similarity disappears for functions involving a larger number of arguments.
Analyse stochastisch erregter nichtlinearer Systeme mittels linearer Differentialgleichungen für verallgemeinerte Quasimomentenfunktionen
Authors: Sperling L. 
Published: June 2007

AbstractEs wird eine neue Näherungsmethode für die statistische Analyse diskreter nichtlinearer Systeme angegeben, die durch weißes Rauschen erregt werden. Dazu wird ein Differentialgleichungssystem für bestimmte Quasimomentenfunktionen entwickelt, das auch nach Abschluß im Endlichen linear ist.
Zur iterativen Lösung von nichtlinearen Integrodifferentialgleichungsproblemen
Authors: Steudel R. 
Published: June 2007

AbstractIn der vorliegenden Arbeit wird eine Integrodifferentialgleichung vom Volterra‐Typ als Operatorgleichung im Hilbert‐Raum formuliert. Unter geeigneten Voraussetzungen wird das Problem iterativ gelöst. Es wird ein Beispiel betrachtet.
A Direct Approach to the Problem of Diffraction by a Half‐Plane under Mixed Boundary Conditions
Authors: Chakrabarti A. 
Published: June 2007

AbstractA general direct technique of solving a mixed boundary value problem in the theory of diffraction by a semi‐infinite plane is presented. Taking account of the correct edge‐conditions, the unique solution of the problem is derived, by means of Jones' method in the theory of Wiener‐Hopf technique, in the case of incident plane wave. The solution of the half‐plane problem is found out in exact form. (The far‐field is derived by the method of steepest descent.) It is observed that it is not the Wiener‐Hopf technique which really needs any modification but a new technique is certainly required to handle the peculiar type of coupled integral equations which the Wiener‐Hopf technique leads to.
Grenzverteilungssätze bei der Messung von Geräteauslastungen
Authors: Schatte P. 
Published: June 2007

AbstractBei der Messung von Geräteauslastungen mittels RC‐Glied stellt sich am Meßgerät nach hinreichend langer Zeit eine zufällige Spannung U(δ) ein, die durch (1), (2) oder (4) definiert ist. Durch Satz 1 wird gezeigt, daδ U (δ) unter geeigneten Voraussetzungen für kleine δ kleine δ asymptotisch normalverteilt ist. Diese Aussage kann zur zweckmäßigen Dimensionierung von konkreten Schaltungen herangezogen werden. Im Grenzfall δ = 0 kann nur über eine endliche Zeit gemessen werden, und nach Satz 2 ist die Anzeige des Meßgerätes für große Zeiten asymptotisch normalverteilt.
The Effects of Heat Transfer on the Behavior of a Bubble and the Impulse Pressure in a Viscous Compressible Liquid
Authors: Tomita Y. , Shima A. 
Published: June 2007

AbstractThe problem regarding the nonequilibrium collapse of a bubble containing both the noncondensable gas and the vapor in an infinite volume of viscous compressible liquid is solved. Through numerical calculations in a wide range of temperatures the effects of heat transfer on the behavior of the bubble and the maximum impulse pressure producing on the bubble collapse are clarified.
Effects of Compressibility upon the Stability Characteristics of a Free Shear Layer
Authors: Shivamoggi Bhimsen K. 
Published: June 2007

AbstractThis paper treats smoothly‐varying flow‐profiles subject to long‐wave disturbances in an unbounded isoenergetic shear‐layer flow, towards examining the effect of compressibility upon the inviscid stability characteristics of a free‐shear flow. Within the framework of the linear theory, the compressibility effects are found to promote the stability of the perturbed basic flow. In order to emphasise the trend of the compressibility effects revealed in the foregoing that considered the flow‐field to be inviscid for the purpose of stability analysis, the latter restriction is then removed and the viscous terms in the linearised‐disturbance equations are considered in the stability analysis; it is then found that the compressibility effects act towards promoting the stability of the perturbed basic flow thereby validating the conclusions reached in this direction previously under more restricted circumstances. Next, in order to clarify whether the inviscid result has anything to do with the allowance for a sharp discontinuity in the velocity profile underlying the arrangement, this paper then treats a free‐shear layer between two parallel streams, the velocity profile for the basic isoenergetic shear being continuous and given by u(y)=tanh y, and the same trend is observed in regard to the effects of compressibility upon the stability characteristics.
On Constitutive Equations of Quasihomogeneous Materials
Authors: Kafka V. 
Published: June 2007

AbstractIn this paper a new conception of derivation of macroscopic constitutive equations of quasihomogeneous materials is presented. The macroscopic equations are derived from the constitutive equations of the material constituents, their volume fractions and a simplified description of the influence of the micro‐geometry of composition. The general relations are applied to viscoelastic and elastic‐plastic materials. A two‐phase viscoelastic material and a two‐phase elastic‐plastic material are analysed as examples.
On Some Qualitative Properties of the Boolean Model of Stochastic Geometry
Authors: Stoyan Dietrich 
Published: June 2007

AbstractFor the Boolean model, one of the basic models of stochastic geometry and stereology, monotonicity and continuity properties are proved. In particular, for Boolean models on the line the relation between primary and number granulometry is discussed, and monotonicity properties of the covariance function are studied. Finally, the probability of hitting of an arbitrary primary grain by one of the other ones is considered.
Families of Direct Fourth‐Order Methods for the Numerical Solution of General Second‐Order Initial‐Value‐Problems
Authors: Chawla M. M. , Sharma S. R. 
Published: June 2007

AbstractWe consider the construction of certain families of direct fourth‐order methods based on four function‐evaluations for the general second‐order initial‐value problem: y″ = f(x, y, y′), y(x0) = A, y′(x0) = B. We obtain these families of methods from the set of conditions sufficient for order four (see Hairer and Wanner [3], Table 2). We obtain a four‐parameter family of methods in the general case, whereas in each of the four special cases we obtain a three‐parameter family of methods. The classical Runge‐Kutta‐Nyström method is a member of the family of methods in one of the special cases. While determining particular methods from these families we require that when these methods are applied to the linear differential equation y″ ‐(α + β)y′ + αβy = 0, the measure of the relative error F, introduced by Rutishauser [5], should have the properties that (i) when α = −β, F should not deteriorate, (ii) when α = –β, F should be least. It was pointed out by Rutishauser [5] that the classical Runge‐Kutta‐Nyström method lacks these properties; it is interesting to note that by a suitable adjustment of some of the parameters, we obtain a new Runge‐Kutta‐Nyström type method which possesses the above two desirable properties. Some particular methods are listed and illustrated by numerical examples; it will be observed from the numerical examples that all these methods perform far better than the classical Runge‐Kutta‐Nyström method, particularly for large x.