bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stereochemical study of a novel tautomeric furanone, homofuraneol
Authors: Monde Kenji , Nakahashi Atsufumi , Miura Nobuaki , Yaguchi Yoshihiro , Sugimoto Daisuke , Emura Makoto 
Published: November 2009

AbstractA mixture of tautomers with unique keto‐enol structures, 5‐ethyl‐4‐hydroxy‐2‐methylfuran‐3(2H)‐one and 2‐ethyl‐4‐hydroxy‐5‐methylfuran‐3(2H)‐one (EHMF, homofuraneol, 1a and 1b), comprises four structural isomers including their enantiomers. The four isomers were successfully separated by chromatographic optical resolution, and their odor evaluation was performed. Determination of the absolute chemistry of 1a and 1b were accomplished for the first time by direct measurement of the VCD spectra of their methyl ether derivatives 4a and 4b compared with the calculated ones as well as chemical relay reaction. The relationship between odor characteristics and stereochemistry was also examined. Chirality 21:E110–E115, 2009. © 2009 Wiley‐Liss, Inc.
TD‐DFT modeling of the circular dichroism for a tryptophan zipper peptide with coupled aromatic residues
Authors: Roy Anjan , Bouř Petr , Keiderling Timothy A. 
Published: November 2009

AbstractIn this work, time dependent density functional theory (TD‐DFT) is used to provide a reliable basis for interpretation of the electronic spectra of coupled tryptophan (Trp) residues, particularly those in a model Trpzip β‐hairpin peptide. Pairs of isolated indoles form chiral coupled chromophores whose computed electronic ultraviolet circular dichroism (CD) is in excellent agreement with observed transition wavelengths and intensities. The calculations were compared to experimental data for pairwise coupling in mutant Trpzip peptides that are recently available. A study of variation of the basis set, geometry optimization, and the solvent environment on the spectra showed limited impact on bandshapes. An alternative simplified computational scheme, dependent on the transition dipole coupling (TDC) mechanism, is shown to give a representation of qualitative aspects of the intense CD for the 1B bands at 228 and 213 nm. The results confirm the origin of the Trpzip diagnostic CD as primarily a dipolar interaction between Trp sidechains, and show that quantum computations of electronic CD can provide a reliable basis for interpretation of these chirally coupled aromatic spectral phenomena. Chirality 21:E163–E171, 2009. © 2009 Wiley‐Liss, Inc.
Structural determination of molecular stereochemistry using VCD spectroscopy and a conformational code: Absolute configuration and solution conformation of a chiral liquid pesticide, (R)‐(+)‐malathion
Authors: Izumi Hiroshi , Ogata Atsushi , Nafie Laurence A. , Dukor Rina K. 
Published: November 2009

AbstractThe absolute configuration and solution conformation of (R)‐(+)‐malathion were determined by using vibrational circular dichroism spectroscopy and a fragment‐conformational search with a recently published conformational code. The determination of molecular stereochemistry was carried out without a conformational search using molecular mechanics calculations. Density functional theory calculations of the fragments of (R)‐malathion, ethyl propionate, (R)‐ethyl 2‐(methylthio)propanoate, (R)‐diethyl 2‐(methylthio)succinate, and O,O,S‐trimethyl phosphorodithioate were carried out, and the principal conformational features of the fragments were profiled. This fragment‐conformational search reduces the time needed for the selection of the predominant conformations for (R)‐malathion and significantly improves the accuracy of the determination of absolute configuration. Chirality 21:E172–E180, 2009. © 2009 Wiley‐Liss, Inc.
Acoustic limit for the Boltzmann equation in optimal scaling
Authors: Guo Yan , Jiang Ning , Jang Juhi 
Published: November 2009

AbstractBased on a recent L2 − L∞ framework, we establish the acoustic limit of the Boltzmann equation for general collision kernels. The scaling of the fluctuations with respect to the Knudsen number is optimal. Our approach is based on a new analysis of the compressible Euler limit of the Boltzmann equation, as well as refined estimates of Euler and acoustic solutions. © 2009 Wiley Periodicals, Inc.
Nanostructured Poly(benzimidazole): From Mesoporous Networks to Nanofibers
Authors: Weber Jens 
Published: November 2009

AbstractPoly(benzimidazole)s (PBIs) are a class of high‐performance polymers which have been receiving increasing interest during the last years due to their high potential as constituents of membrane materials in proton‐exchange membrane fuel cells (PEMFCs). In addition to the importance of PBI in fuel‐cell technology, there are a number of other applications (e.g., catalysis) that make use of the special properties of this material. The scope of this Minireview is to first give a short overview about the use of nanostructured, mesoporous PBI as a proton conductor. Secondly, the use of spirobifluorene derivatives as new monomers, which allow the synthesis of hierarchically structured PBI, is presented. Limitations of traditional synthetic methods will be discussed, and an ionothermal scheme towards PBI will be presented as a versatile tool for the synthesis of plain and spirobifluorene‐based PBIs. Finally, the use of electrospinning as a powerful processing technique for PBI will be presented briefly.
Fine‐needle aspiration in myxofibrosarcoma: Experience of Institut Curie
Authors: Colin Pierre , Lagacé Réal , Caillaud Jean‐Michel , Sastre‐Garau Xavier , Klijanienko Jerzy 
Published: November 2009

AbstractMyxofibrosarcoma (MFS) is a well‐established nosologic entity different from the myxoid variant of malignant fibrous histiocytoma. In an attempt to better define the representative cytologic criteria of MFS, we undertook a review and a reanalysis of a series of 14 cytology samples in 12 patients whose tumors were diagnosed as MFS.Using FNA technique and reviewing the original diagnoses, 11 cases were diagnosed as malignant and three as benign tumors. The cytologic diagnosis of MFS was accurate in seven cases (2 primary tumors, 4 recurrences, and 1 metastasis). Four cases were classified malignant myxoid sarcoma (1 primary and 3 recurrences), whereas three cases (2 primary and 1 recurrence) were false‐negative.The smears were cell‐rich in 12 cases and cell‐poor in two cases. They were constantly composed of isolated and regular small spindle‐shaped and stellated cells with elongated nuclei containing small inconspicuous nucleoli. Cytoplasm was pale with elongated processes. Clusters of wavy spindle‐shaped cells, round cells without specific pattern, moderate cytonuclear atypia, and abundant myxoid background as well as curvilinear vascular structures were always seen. In the vast majority of cases, the cytologic distinction of MFS from other low‐grade myxoid lesions is difficult. Entities such as myxoid MFH, myxoid liposarcoma (MLP), myxoid DFSP, and myxoma should be considered in the differential diagnosis. The cytological misdiagnosis is of limited clinical consequence because FNA findings suggestive of a myxoid tumor will be indicative for a surgical removal followed by the histopathological analysis. Diagn. Cytopathol. 2010. © 2009 Wiley‐Liss, Inc.
Simultaneous determination of metformin hydrochloride and pioglitazone hydrochloride in binary mixture and in their ternary mixture with pioglitazone acid degradate using spectrophotometric and chemometric methods
Authors: Hegazy Maha A. , El‐Ghobashy Mohamed R. , Yehia Ali M. , Mostafa Azza A. 
Published: November 2009

AbstractIn this work two well known oral hypoglycemic drugs that are administered in combination for patients with type‐II diabetes were simultaneously determined. Several spectrophotometric methods were developed and validated for the determination of metformin hydrochloride (MET), pioglitazone hydrochloride (PIO) and pioglitazone acid degradate (PIO Deg). Derivative, ratio derivative, isosbestic and chemometric‐assisted spectrophotometric methods were developed. The first derivative (D1) method was used for the determination of MET in the range of 5–30 µg.mL−1 and PIO in the range of 10–90 µg.mL−1 by measuring the peak amplitude at 247 nm and 280 nm, respectively. The concentration of PIO was calculated directly at 268 nm. The first derivative of ratio spectra (DD1) method used the peak amplitudes at 238 nm and 248.6 nm for the determination of MET in the range of 5–30 µg.mL−1.In the isosbestic point method (ISO), the total mixture concentration was calculated by measuring the absorbance at 254.6 nm. Classical least squares (CLS), principal component regression (PCR) and partial least squares (PLS‐2) were used for the quantitative determination of MET, PIO and PIO Deg. The methods developed have the advantage of simultaneous determination of the cited components without any pre‐treatment. Resolution and quantitative determination of PIO degradate with a minimum concentration of 3 µg.mL−1 in drug samples was done. The proposed methods were successfully used to determine each drug and the acid degradate in a laboratory‐prepared mixture and pharmaceutical preparations. The results were statistically compared using one‐way analysis of variance (ANOVA). The methods developed were satisfactorily applied to the analysis of the two drugs in pharmaceutical formulations. Copyright © 2009 John Wiley & Sons, Ltd.
Electrooxidation of Fe, Co, Ni and Cu Metalloporphyrins on Edge‐Plane Pyrolytic Graphite Electrodes and Their Electrocatalytic Ability towards the Reduction of Molecular Oxygen in Acidic Media
Authors: Richards Gregory , Swavey Shawn 
Published: November 2009

AbstractEdge‐plane pyrolytic graphite (EPG) electrodes coated with5,10,15,20‐tetrakis(4‐hydroxy‐3‐methoxyphenyl)porphyrin[H2T3M4HPP] and its FeIII, CoII, NiII and CuII analogs undergo an electrochemical/chemical/electrochemical (ECE) reaction when anodically scanned in 0.5 M H2SO4. The new redox couple formed from this anodic conditioning of the coated electrode is dependent on the pH of the solution. Roughened EPG electrodes coated with the metalloporphyrins show a catalytic shift for the reduction of O2 when compared to the reduction of O2 at a bare EPG electrode. An additional catalytic shift of approximately 100 mV is observed for O2 reduction at an EPG electrode coated with the CoII porphyrin, which has been oxidized in 0.5 M H2SO4. In addition to the added electrocatalysis, approximately 15 % of the O2 reduced at the oxidized CoII porphyrin EPG electrode is converted to H2O as determined by rotating‐disk electrode measurements.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Biomimetic Synthesis of Natural and “Unnatural” Lignans by Oxidative Coupling of Caffeic Esters
Authors: Daquino Carmelo , Rescifina Antonio , Spatafora Carmela , Tringali Corrado 
Published: November 2009

AbstractThe metal‐mediated oxidative coupling of caffeic acid esters has been employed in the biomimetic synthesis of dimeric lignans and neolignans. Phenethyl and methyl caffeate esters were used as substrates and MnO2, Mn(OAc)3 and Ag2O as oxidative coupling agents. The manganese‐mediated reactions afforded in good yields the unusual benzo[kl]xanthene lignans 6 and 15 as the major products accompanied by minor amounts of the aryldihydronaphthalene lignans (±)‐7 and (±)‐16. When Ag2O was employed, the neolignan (±)‐17 was obtained as the major product. This biomimetic route was also used to obtain the natural benzo[kl]xanthene lignans rufescidride (9) and mongolicumin A (10). A computational study of the coupling reactions was also carried out.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Linear analysis of concrete arch dams including dam–water–foundation rock interaction considering spatially varying ground motions
Authors: Wang Jin‐Ting , Chopra Anil K. 
Published: November 2009

AbstractThe available substructure method and computer program for earthquake response analysis of arch dams, including the effects of dam–water–foundation rock interaction and recognizing the semi‐unbounded size of the foundation rock and fluid domains, are extended to consider spatial variations in ground motions around the canyon. The response of Mauvoisin Dam in Switzerland to spatially varying ground motion recorded during a small earthquake is analyzed to illustrate the results from this analysis procedure. Copyright © 2009 John Wiley & Sons, Ltd.
On poundings of a seismically isolated building with adjacent structures during strong earthquakes
Authors: Polycarpou Panayiotis C. , Komodromos Petros 
Published: November 2009

AbstractThis paper presents selected indicative results from an extensive parametric investigation that has been performed in order to assess the effects of potential earthquake‐induced poundings on the overall dynamic response of seismically isolated buildings. In particular, a seismically isolated building and its adjacent fixed‐supported buildings are subjected to various earthquake excitations that induce structural impact among the buildings in series. The results indicate that the seismically isolated building may hit against the adjacent buildings at the upper floor levels before the occurrence of any pounding at the isolation level with the surrounding moat wall. The severity of the impact depends on the dynamic properties of the adjacent buildings, in combination with the earthquake characteristics. Copyright © 2009 John Wiley & Sons, Ltd.
Soil–structure interaction effects observed in the in situ forced vibration and pushover tests of school buildings in Taiwan and their modeling considering the foundation flexibility
Authors: Ko Yung‐Yen , Chen Cheng‐Hsing 
Published: November 2009

AbstractIn the conventional structural seismic analysis, the rigid base model is usually adopted without considering the flexibility of the ground, leading to inaccurate estimation of the vibration characteristics and the seismic response of the structure. In 2007, several in situ tests were conducted by the National Center for Research on Earthquake Engineering (NCREE) on the school buildings in the Guanmiao Elementary School in Tainan, Taiwan. For the study of soil–structure interaction (SSI) effects, the forced vibration test (FVT) was performed, and the deformation of the foundation system was measured during the pushover test. In this paper, the results of these in situ tests are presented and discussed, and the finite element models of the school buildings were generated for the simulation of the FVT and for the pushover analysis in order to investigate the difference between the rigid base model and the flexible base model. Results show that the mechanical properties of the structure and the foundation could be demonstrated in these in situ tests. Additionally, the introduction of the flexibility of the foundation has a considerable influence on the results of structural analysis. Copyright © 2009 John Wiley & Sons, Ltd.
The journal Communications in Numerical Methods in Engineering with Biomedical Applications becomes the International Journal for Numerical Methods in Biomedical Engineering (IJNMBE) from 1st January 2010
Authors: Nithiarasu Perumal , Löhner Rainald 
Published: November 2009

AbstractCommunications in Numerical Methods in Engineering, founded by Roland W. Lewis in 1985, will change its title to the ‘International Journal for Numerical Methods in Biomedical Engineering’ and has a revised Aims and Scope. Copyright © 2009 John Wiley & Sons, Ltd.
Synthesis of α‐hydroxy‐methylenebisphos‐phonates by the microwave‐assisted reaction of α‐oxophosphonates and dialkyl phosphites under solventless conditions
Authors: Grün Alajos , Molnár István Gábor , Bertók Béla , Greiner István , Keglevich György 
Published: November 2009

AbstractThe synthesis of hydroxy‐methylenebisphosphonates (2a–c) by the addition of dialkyl phosphite to the carbonyl group of the corresponding α‐oxophosphonate (1a–c) was studied under microwave irradiation (MW) and solventless conditions in the presence of dialkylamine as the catalyst. After optimization, products 2a and 2b were obtained selectively and in good yields avoiding the formation of the phosphonate‐phosphate by‐product (3a and 3b) that is the result of a rearrangement. The MW‐assisted synthesis of hydroxybisphosphonates (2a and 2b) offers complete conversions and a chemoselectivity of 100% as compared to the not so efficient thermal reaction. At the same time, the phenyl‐substituted methylenebisphosphonate 2c could be obtained in only 75% selectivity. © 2009 Wiley Periodicals, Inc. Heteroatom Chem 20:350–354, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20558
Microwave Michaelis–Becker synthesis of diethyl phosphonates, tetraethyl diphosphonates, and their total or partial dealkylation
Authors: Meziane Dalila , Hardouin Julie , Elias Abdelhamid , Guénin Erwann , Lecouvey Marc 
Published: November 2009

AbstractDiethyl phosphonates and tetraethyl alkyldiphosphonates were efficiently and rapidly prepared via the Michaelis–Becker reaction, under microwave irradiation. These compounds were then hydrolyzed to phosphonic and diphosphonic acids or selectively monodealkylated to give monoesters of phosphonic acids and symmetrical diethyl esters of diphosphonic acids. These reactions were also achieved rapidly in satisfactory yields with microwave methodology. This methodology was applied with success to the functionalization of a polymer resin. © 2009 Wiley Periodicals, Inc. Heteroatom Chem 20:369–377, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20561
Computer‐aided diagnosis system for the detection of bronchiectasis in chest computed tomography images
Authors: Elizabeth D. Shiloah , Kannan A. , Nehemiah H. Khanna 
Published: November 2009

AbstractA computer‐aided diagnosis (CAD) system has been developed for the detection of bronchiectasis from computed tomography (CT) images of chest. A set of CT images of the chest with known diagnosis were collected and these images were first denoised using Wiener filter. The lung tissue was then segmented using optimal thresholding. The Pathology Bearing Regions (PBRs) were then extracted by applying pixel‐based segmentation. For each PBR, a gray level co‐occurrence matrix (GLCM) was constructed. From the GLCM texture features were extracted and feature vectors were constructed. A probabilistic neural network (PNN) was constructed and trained using this set of feature vectors. The images together with the PBRs and the corresponding feature vector and diagnosis were stored in an image database. Rules for diagnosis and for determining the severity of the disease were generated by analyzing the images known to be affected by bronchiectasis. The rules were then validated by a human expert. The validated rules were stored in the Knowledge Base. When a physician gives a CT image to the CAD system, it first transforms the image into a set of feature vectors, one for each PBR in the image. It then performs the diagnosis using two techniques: PNN and mahalanobis distance measure. The final diagnosis and the severity of the disease are determined by correlating the diagnosis determined by both the techniques in consultation with the knowledge base. The system also retrieves similar cases from the database. Thus, this system would aid the physicians in diagnosing bronchiectasis. © 2009 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 19, 290–298, 2009
Image reconstruction for a partially immersed imperfectly conducting cylinder by genetic algorithm
Authors: Chien Wei , Sun Chi‐Hsien , Chiu Chien‐Ching 
Published: November 2009

AbstractThis article presents a computational approach to the imaging of a partially immersed imperfectly conducting cylinder. An imperfectly conducting cylinder of unknown shape and conductivity scatters the incident transverse magnetic (TM) wave in free space while the scattered field is recorded outside. Based on the boundary condition and the measured scattered field, a set of nonlinear integral equations, and the inverse scattering problem are reformulated into an optimization problem. We use genetic algorithm (GA) to reconstruct the shape and the conductivity of a partially immersed imperfectly conducting cylinder. The genetic algorithm is then used to find out the global extreme solution of the cost function. Numerical results demonstrated that, even when the initial guess is far away from the exact one, good reconstruction can be obtained. In such a case, the gradient‐based methods often get trapped in a local extreme. In addition, the effect of random noise on the reconstruction is investigated. © 2009 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 19, 299–305, 2009
An adaptive scheme for compressed video steganography using temporal and spatial features of the video signal
Authors: Mansouri Jafar , Khademi Morteza 
Published: November 2009

AbstractSteganography is the art and science of data hiding. This article proposes an adaptive steganographic algorithm that embeds secret data in a compressed video stream using temporal and spatial features of the video signal and human visual system characteristics. Qualified‐DCT coefficients of I‐VOP and motion vectors of P‐VOP and B‐VOP are used for spatial and temporal features of the video, respectively. Embedded‐data are extracted without using the original video and there is no need for full decompression. Experimental results demonstrate that the proposed algorithm has high imperceptibility and capacity. Furthermore, the bit rate remains approximately constant. © 2009 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 19, 306–315, 2009
A study on restoration of iris images with motion‐and‐optical blur on mobile iris recognition devices
Authors: Kang Byung Jun , Park Kang Ryoung 
Published: November 2009

AbstractIris recognition is a form of biometric technology that authenticates individuals by using the unique iris patterns between the pupil and the sclera. To solve security problems in mobile environments, mobile iris recognition devices have been commercialized recently. A motion‐and‐optical blurred image can be sometimes captured because users capture the iris images of a testee by holding the recognition devices. Motion‐and‐optical blurred images reduce iris recognition accuracy. Previous researches of restoring iris image only dealt with optical or motion blurred image. To overcome these problems, we propose a new method of restoring motion‐and‐optical blurred iris images at the same time. This article presents three contributions over previous research. (1) A new focus assessment method is proposed to measure accurate focus scores regardless of motion blurring. (2) Previous research restored coexisting motion‐and‐optical blurred images in terms of visibility, but in this article, we restored them in terms of recognition. (3) We used a modified CLS (Constrained Least Square) filter to prevent the zero‐crossing of the PSF (Point Spread Function) of motion blurring with a uniform shape. So, the iris recognition accuracy was better than when using a conventional CLS filter. Experimental results showed that the EER was 0.796% when using the proposed method and it was 1.431% when not using the proposed method. Consequently, the EER was reduced as much as 0.635% (1.431–0.796%) when using the proposed method. © 2009 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 19, 323–331, 2009