bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solid state NMR characterization of individual compounds and solid solutions formed in Sc2O3V2O5Nb2O5Ta2O5 system
Authors: Khabibulin Dzhalil , Romanenko Konstantin , Zuev Mikhail , Lapina Olga 
Published: October 2007

AbstractIn this study, 51V, 45Sc and 93Nb MAS NMR combined with satellite transition spectroscopy analysis were used to characterize the complex solid mixtures: VNb9(1−x)Ta9xO25, ScNb(1−x)TaxO4 and ScNb2(1−x)Ta2xVO9 (x = 0, 0.3, 0.5, 0.7, 1.0). This led us to describe the structures of Sc and V sites. The conclusions were based on accurate values for 51V quadrupole coupling and chemical shift tensors obtained with 51V MAS NMR/SATRAS for VNb9O25, VTa9O25 and ScVO4. The 45Sc NMR parameters have been obtained for Sc2O3, ScVO4, ScNbO4 and ScTaO4. On the basis of 45Sc NMR and data available from literature, the ranges of the 45Sc chemical shift have been established for ScO6 and ScO8. The gradual change of the 45Sc and 51V NMR parameters with x confirms the formation of solid solutions in the process of synthesis of VNb9(1−x)Ta9xO25 and ScNb(1−x)TaxO4, in contrast to ScNb2(1−x)Ta2xVO9. The cation sublattice of ScNb(1−x)TaxO4 is found to be in octahedral coordination. The V sites in VNb9(1−x)Ta9xO25 are present in the form of slightly distorted tetrahedra. The 93Nb NMR parameters have been obtained for VNb9O25. Copyright © 2007 John Wiley & Sons, Ltd.
Direct observation of the unstable intermediates in radical addition reaction by using an interfacing microchip combined with an NMR
Authors: Nakakoshi Masamichi , Ueda Masafumi , Sakurai Satoshi , Asakura K. , Utsumi Hiroshi , Miyata Okiko , Naito Takeaki , Takahashi Yutaka 
Published: October 2007

AbstractDirect observation of the unstable intermediate in the radical addition reaction of the oxime ether 1 mediated by triethylborane (Et3B) is described using 1H and 11B micro channeled cell for synthesis monitoring (MICCS), which was recently developed as an interfacing microchip for NMR. It was possible that the signal of the intermediate was observed as a result of using MICCS technique with a standard NMR instrument. This result supports the structure of the intermediate analyzed by diffusion‐ordered spectroscopy (DOSY) NMR method in a previous paper. The procedure of micro channeled cell for synthesis monitoring‐nuclear magnetic resonance (MICCS‐NMR) was much easier than that of DOSY method. It was proven that it could be applied to the reaction in an anhydrous condition. Copyright © 2007 John Wiley & Sons, Ltd.
Erratum: In vivo magnetic resonance imaging of submillisecond T2 species with 2D and 3D radial sequences and applications to the measurement of cortical bone‐water. Aranee techawiboonwong, Hee Kwon Song and Felix W. Wehrli
Authors: Techawiboonwong Aranee , Song Hee Kwon , Wehrli Felix W. 
Published: October 2007

AbstractIn‐Vivo Magnetic Resonance Imaging of Submillisecond T2 Species with 2D and 3D Radial Sequences and Applications to the Measurement of Cortical Bone‐Water, Aranee Techawiboonwong, Hee Kwon Song and Felix W. Wehrli, published online 16 May 2007 in Wiley Interscience, www.interscience.wiley.com/journal/nbm. DOI: 10.1002/nbm.1179.It has been noted that equation 2 is incorrect, please see the correct equation below:

The article shall be corrected prior to print publication.
Upper bound solution to elasticity problems: A unique property of the linearly conforming point interpolation method (LC‐PIM)
Authors: Liu G. R. , Zhang G. Y. 
Published: October 2007

AbstractIt is well known that the displacement‐based fully compatible finite element method (FEM) provides a lower bound in energy norm for the exact solution to elasticity problems. It is, however, much more difficult to bound the solution from above for general problems in elasticity, and it has been a dream of many decades to find a systematical way to obtain such an upper bound. This paper presents a very important and unique property of the linearly conforming point interpolation method (LC‐PIM): it provides a general means to obtain an upper bound solution in energy norm for elasticity problems. This paper conducts first a thorough theoretical study
on the LC‐PIM: we derive its weak form based on variational principles, study a number of properties of the LC‐PIM, and prove that LC‐PIM is variationally consistent and that it produces upper bound solutions. We then demonstrate these properties through intensive numerical studies with many examples of 1D, 2D, and 3D problems. Using the LC‐PIM together with the FEM, we now have a systematical way to numerically obtain both upper and lower bounds of the exact solution to elasticity problems, as shown in these example problems. Copyright © 2007 John Wiley & Sons, Ltd.
Optimal auditing in the banking industry
Authors: Bosch T. , Mukuddem‐Petersen J. , Petersen M. A. , Schoeman I. 
Published: October 2007

AbstractAs a result of the new regulatory prescripts for banks, known as the Basel II Capital Accord, there has been a heightened interest in the auditing process. Our paper considers this issue with a particular emphasis on the auditing of reserves, assets and capital in both a random and non‐random framework. The analysis relies on the stochastic dynamic modeling of banking items such as loans, reserves, Treasuries, outstanding debts, bank capital and government subsidies. In this regard, one of the main novelties of our contribution is the establishment of optimal bank reserves and a rate of depository consumption that is of importance during an (random) audit of the reserve requirements. Here the specific choice of a power utility function is made in order to obtain an analytic solution in a Lévy process setting. Furthermore, we provide explicit formulas for the shareholder default and regulator closure rules, for the case of a Poisson‐distributed random audit. A property of these rules is that they define the standard for minimum capital adequacy in an implicit way. In addition, we solve an optimal auditing time problem for the Basel II capital adequacy requirement by making use of Lévy process‐based models. This result provides information about the optimal timing of an internal audit when the ambient value of the capital adequacy ratio is taken into account and the bank is able to choose the time at which the audit takes place. Finally, we discuss some of the economic issues arising from the analysis of the stochastic dynamic models of banking items and the optimization procedure related to the auditing process. Copyright © 2007 John Wiley & Sons, Ltd.
Population‐based drug‐related anaphylaxis in children and adolescents captured by South Carolina Emergency Room Hospital Discharge Database (SCERHDD) (2000–2002)
Authors: West Suzanne L. , D'Aloisio Aimee A. , Ringel‐Kulka Tamar , Waller Anna E. , Clayton Bordley W. 
Published: October 2007

AbstractPurposeAnaphylaxis is a life‐threatening condition; drug‐related anaphylaxis represents approximately 10% of all cases. We assessed the utility of a statewide emergency department (ED) database for identifying drug‐related anaphylaxis in children by developing and validating an algorithm composed of ICD‐9‐CM codes.MethodsThere were 1 314 760 visits to South Carolina (SC) emergency departments (EDs) for patients <19 years in 2000–2002. We used ICD‐9‐CM disease or external cause of injury codes (E‐codes) that suggested drug‐related anaphylaxis or a severe drug‐related allergic reaction. We found 50 cases classifiable as probable or possible drug‐related anaphylaxis and 13 as drug‐related allergic reactions. We used clinical evaluation by two pediatricians as the ‘alloyed gold standard’1 for estimating sensitivity, specificity, and positive predictive value (PPV) of our algorithm.ResultsED‐treated drug‐related anaphylaxis in the SC pediatric population was 1.56/100 000 person‐years based on the algorithm and 0.50/100 000 person‐years based on clinical evaluation. Assuming the disease codes we used identified all potential anaphylaxis cases in the database, the sensitivity was 1.00 (95%CI: 0.79, 1.00), specificity was 0.28 (95%CI: 0.16, 0.43), and the PPV was 0.32 (0.20, 0.47) for the algorithm. Sensitivity analyses improved the measurement properties of the algorithm.ConclusionsE‐codes were invaluable for developing an anaphylaxis algorithm although the frequently used code of E947.9 was often incorrectly applied. We believe that our algorithm may have over‐ascertained drug‐related anaphylaxis patients seen in an ED, but the clinical evaluation may have under‐represented this diagnosis due to limited information on the offending agent in the abstracted ED records. Post‐marketing drug surveillance using ED records may be viable if clinicians were to document drug‐related anaphylaxis in the charts so that billing codes could be assigned properly. Copyright © 2007 John Wiley & Sons, Ltd.
Effect of preparation method on nanoscopic structure of conductive SBS/PANI blends: Study using small‐angle X‐ray scattering
Authors: Souza Fernando G. , Soares Bluma G. , Dahmouche Karim 
Published: October 2007

AbstractSmall‐angle X‐ray scattering (SAXS) studies of electrically conductive blends based on polyaniline–dodecylbenzenesulfonic acid (PANI–DBSA)/styrene–butadiene–styrene (SBS) triblock copolymer were performed to investigate the influence of the blend preparation procedure on the nanoscopic structure of the blends. The blends were prepared by mechanical mixing (MM) procedure and by in situ polymerization (ISP) of aniline in the presence of SBS. The results indicate that pure PANI–DBSA presents an extended phase consisting of crystalline islands of nanometric size, with a good spatial correlation between them, embedded into an amorphous PANI phase. This feature was not observed in SBS/PANI–DBSA blends prepared by MM or ISP. In MM blends, the PANI phase is constituted by smaller domains, containing poorly spatially correlated crystalline islands, whereas in ISP blends with low or medium amount of PANI, there is no SAXS peak which could be related to a spatial correlation between PANI crystalline islands. The conductivity of the ISP blends is higher when compared to MM blends because of the higher homogeneity at nanometric scale. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 3069–3077, 2007
Spontaneous β‐barrel formation: An all‐atom Monte Carlo study of Aβ16–22 oligomerization
Authors: Irbäck Anders , Mitternacht Simon 
Published: October 2007

AbstractUsing all‐atom Monte Carlo simulations with implicit water, combined with a cluster size analysis, we study the aggregation of Aβ16–22, a peptide capable of forming amyloid fibrils. We consider a system of six initially randomly oriented Aβ16–22 peptides, and investigate the thermodynamics and structural properties of aggregates formed by this system. The system is unaggregated without ordered secondary structure at high temperature, and forms β‐sheet rich aggregates at low temperature. At the crossover between these two regimes, we find that clusters of all sizes occur, whereas the β‐strand content is low. In one of several runs, we observe the spontaneous formation of a β‐barrel with six antiparallel strands. The β‐barrel stands out as the by far most long‐lived aggregate seen in our simulations. Proteins 2008. © 2007 Wiley‐Liss, Inc.
Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
Authors: Sikorska Emilia , Rodziewicz‐MotowidŁo Sylwia 
Published: October 2007

AbstractArginine vasopressin (AVP) and mesotocin (MT) belong to the neurohypophyseal hormone family. The former plays a very important role in the control of urine concentration and the blood pressure in mammals, whereas the latter stimulates uterine concentration and initiates birth in amphibians, marsupials, wallabies, birds, and fishes. Analysis of their 3D structure could be helpful for understanding the evolutionary relationship between all vasopressin‐ and oxytocin‐like hormones. In addition, it allows design of new analogs with appropriate biological activity for humans and animals. In this paper, we present the conformational studies of AVP and MT, under the aqueous conditions. In our investigations, we used 2D NMR spectroscopy and time‐averaged molecular dynamics calculations in explicit water. Our studies have shown that both peptides, despite displaying a high sequence homology, differ from each other with regard to the three‐dimensional structure. They are in conformational equilibrium as a result of the cis/trans isomerization across the Cys6–Pro7 peptide bond. Both peptides form β‐turns in their cyclic part, wherein the C‐terminal fragment of MT is bent, whereas that of AVP is extended. Copyright © 2007 European Peptide Society and John Wiley & Sons, Ltd.
Novel glycosylated VIP analogs: synthesis, biological activity, and metabolic stability
Authors: Dangoor David , Biondi Barbara , Gobbo Marina , Vachutinski Yelena , Fridkin Mati , Gozes Illana , Rocchi Raniero 
Published: October 2007

AbstractVasoactive intestinal peptide (VIP) is a prominent neuropeptide, exhibiting a wide spectrum of biological activities in mammals. However, the clinical applications of VIP are mainly hampered because of its rapid degradationin vivo. Peptide glycosylation, a procedure frequently used to increase peptide resistance to proteolytic degradation and consequently increase peptide metabolic stability, has not been performed yet on VIP. The presence of threeN‐glycosylation sites on VIP receptor type 1 (VPAC1) was previously demonstrated. Therefore, glycosylation of the VIP ligand could potentially increase its receptor affinity because of glyco–glyco interactions between the ligand and the receptor. In order to enhance VIP's metabolic stability and to increase its ligand–receptor binding/activation, eight glycosylated VIP derivatives were successfully synthesized by the solid‐phase procedure. Each VIP analog was monoglycosylated by a monosaccharide addition to one amino‐acid residue along the sequence. Glycosylation did not affect the α‐helical structure shown by the native VIP in organic environment. Few glycosylated VIP analogs displayed highly potent VPAC1 receptor binding and cAMP‐induced activation; only 4–6 fold lower in comparison to the native VIP. Furthermore, the peptide analog glycosylated on Thr11([11Glyc]VIP) showed a significantly enhanced stability toward trypsin enzymatic degradation in comparison to VIP. Analysis of the degradation products of [11Glyc]VIP showed that differently from VIP, incubation of the peptide [11Glyc]VIP with trypsin resulted in no cleavage at the Arg12–Leu13peptide bond, suggesting that VIP glycosylation may lead to enhanced metabolic stability. Copyright © 2007 European Peptide Society and John Wiley & Sons, Ltd.
Robust stability of iterative learning control schemes
Authors: French Mark 
Published: October 2007

AbstractA notion of robust stability is developed for iterative learning control in the context of disturbance attenuation. The size of the unmodelled dynamics is captured via a gap distance, which in turn is related to the standard ℋ︁2 gap metric, and the resulting robustness certificate is qualitatively equivalent to that obtained in classical robust ℋ︁∞ theory. A bound on the robust stability margin for a specific adaptive ILC design is established. Copyright © 2007 John Wiley & Sons, Ltd.
The analysis of continuous outcomes in multi‐centre trials with small centre sizes
Authors: Pickering Ruth M. , Weatherall Mark 
Published: October 2007

AbstractThe standard analysis of clinical trials stratified by centre is to include centres as fixed effects, but if many centres contribute small numbers of patients, this approach results in a loss of power. Assuming no treatment by centre interaction, we used simulation to examine power and coverage of confidence intervals from three approaches to the analysis of continuous outcome in multi‐centre trials: ignoring centres, including centres as fixed effects, and including them as random effects. The simulation incorporated eight sizes of centre effects; randomization in blocks of size 2 or 4; and two sample sizes, namely 100 and 200 patients per treatment arm in a parallel groups design. All simulated data sets included many centres with few subjects. The three different approaches were unbiased and had similar coverage. Fixed effects analysis was less powerful, particularly when centre effects were small. Incorporating block randomization with larger block size increased non‐orthogonality in the design, contributing to loss of power. Where centre effects are small
and recruitment in many centres is low, the approaches of ignoring centres or incorporating them as random effects have better performance than the traditional fixed effects analysis. Copyright © 2007 John Wiley & Sons, Ltd.
Modeling and inference for an ordinal effect size measure
Authors: Ryu Euijung , Agresti Alan 
Published: October 2007

AbstractAn ordinal measure of effect size is a simple and useful way to describe the difference between two ordered categorical distributions. This measure summarizes the probability that an outcome from one distribution falls above an outcome from the other, adjusted for ties. We develop and compare confidence interval methods for the measure. Simulation studies show that with independent multinomial samples, confidence intervals based on inverting the score test and a pseudo‐score‐type test perform well. This score method also seems to work well with fully‐ranked data, but for dependent samples a simple Wald interval on the logit scale can be better with small samples. We also explore how the ordinal effect size measure relates to an effect measure commonly used for normal distributions, and we consider a logit model for describing how it depends on explanatory variables. The methods are illustrated for a study comparing treatments for shoulder‐tip pain. Copyright © 2007 John Wiley & Sons, Ltd.
Influence of the Material and the Surface Roughness of the Drying Support on the Self‐detachment of Maltodextrin Films
Authors: Collares‐Queiroz Fernanda Paula , Cotta Mônica Alonso , Finzer José Roberto Delalibera , Kieckbusch Theo Guenter 
Published: October 2007

AbstractThe influence of four different materials (glass, stainless steel, polytetrafluoroethylene – PTFE and polyamide) used as a paste drying support on the detachment conditions of dried maltodextrin films was investigated. The tests were accomplished in a drying chamber that allows the spreading of a uniform film of pastelike material over solid plates and the visual observation of the instant of the detachment from the surface. The chamber temperature and the water content of the dried film were compared with the corresponding glass transition temperature curve. The effect of the material roughness on the detachment of the dried maltodextrin film was evaluated comparing glass plates with two different surfaces (smooth and sand‐blasted glass). Results indicate that the higher the surface roughness, the drier should the film be, in order to promote self‐detachment at the same temperature conditions. The chemical and physical interactions between the support material and the dried film also influence the process. The PTFE support required less severe detachment conditions than solids with lower surface roughness.
The Influences of Chain Length of Amylopectin on Resistant Starch in Rice (Oryza sativa L.)
Authors: Shu Xiaoli , Jia Limeng , Gao Junkai , Song Youliang , Zhao Haijun , Nakamura Yasonori , Wu Dianxing 
Published: October 2007

AbstractAmylopectin is the principle component of starch. To elucidate the relationships between amylopectin and resistant starch content, six rice mutants with altered fine structure of amylopectin were selected for comparative studies with the primary wild type and two types of amylose‐extender (ae) mutants. Significant differences in resistant starch content were observed among mutants with similarity or differences in amylose levels. Mutants high in resistant starch had significantly increased proportions of short amylopectin chains with DP≤12, decreased levels of intermediate chains with size of 13≤DP≤36, and decreased fractions of long chains with DP≥37. Additionally, there was a mutant different to ae, which was characterized by an increased level of short chains with 8≤DP≤12 and 13≤DP≤24, and a decreased proportion of long chains with DP≥37. The increased contents of short chains with 8≤DP≤12 and decreased of intermediate and long chains with 24≤DP were clearly associated with the increase of resistant starch in rice.
Octenylsuccinate Derivatives of Carboxymethyl Starch – Synthesis and Properties
Authors: Čížová Alžbeta , Koschella Andreas , Heinze Thomas , Ebringerová Anna , Sroková Iva 
Published: October 2007

AbstractCarboxymethyl starch (CMS, DSCM 0.1) was modified with octenylsuccinic anhydride in various solvent systems. Using the dimethyl sulphoxide (DMSO)/p‐toluenesulphonic acid (p‐Ts‐OH) system, carboxymethyl starch octenylsuccinates (OS‐CMS) were obtained with degrees of substitution (DS) ranging from 0.03 to 0.53 at high reaction efficiency, and characterized with regard to their molecular structure, their rheological and surface active properties. The water‐soluble OS‐CMS derivatives showed a pseudoplastic behavior dependent on both the DS and polymer concentration (cp). The thickening power displayed a maximum at DS 0.14 at higher cp (2.5 and 5.0%). In spite of the only moderate surface‐tension decreasing effect of the OS‐CMS derivatives, most of them exhibited excellent emulsifying, foaming and antiredeposition effects. They represent novel polysaccharide‐based biosurfactants with a broad application potential.
Single‐molecule measurements with a single quantum dot
Authors: Kaji Noritada , Tokeshi Manabu , Baba Yoshinobu 
Published: October 2007

AbstractRecent progress of quantum dot (QD) applications in single‐molecule measurements are reviewed in this paper. Bright fluorescence and anti‐photobleaching properties of QDs have explored the way to conduct long‐time trajectory tracking of transmembrane proteins both in vitro and in vivo. Coupled with diversities of chemical and biochemical modifications of QD surfaces, their application fields are expanding to multidiscipline fields including imaging on the basis of a single molecule. Currently, molecular interactions and conformational changes on the QD surface can be detected at a single‐molecule level. These expansions of application fields also involve toxicity problems in cells since most commercially available QDs consist of cadmium selenide or cadmium telluride, which are inherently toxic. For widespread applications of QDs including in vivo and therapeutic use in place of current organic fluorophore, cytotoxicity is discussed as well in this paper. © 2007 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 7: 295–304; 2007: Published online in Wiley InterScience (www.interscience.wiley.com)DOI 10.1002/tcr.20128