bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nitrogen Ligands: The Transition Metal Catalyzed Reaction of Aryl Halides with Olefins (Mizoroki—Heck), Phenylboronic Acid (Suzuki Coupling) and Buchwald—Hartwig Amination, New Catalysts and Effect of Cocatalysts—Aryl Halide Activation. Part 1.
Authors: Iyer Suresh , Kulkarni Girish M. , Ramesh C. , Sattar Aruna K. 
Published: December 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Stereoselective Synthesis of 1,2‐Diamino‐1,2‐diarylethane Derivatives.
Authors: Bessonov I. V. , Lozinskaya N. A. , Katashova V. R. , Proskurnina M. V. , Zefirov N. S. 
Published: December 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
A Mild and Efficient aza‐Diels—Alder Reaction of N‐Benzhydryl Imines with trans‐1‐Methoxy‐2‐methyl‐3‐trimethylsiloxybuta‐1,3‐diene Catalyzed by Yb(OTf)3.
Authors: Cheng Ke , Lin Lili , Chen Shikui , Feng Xiaoming 
Published: December 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Successive Substitution of Halogen Atoms in 4,6‐Dihaloquinolines in Palladium‐Catalyzed Reactions with Amines and Arylboronic Acids.
Authors: Beletskaya I. P. , Tsvetkov A. V. , Tsvetkov P. V. , Latyshev G. V. , Lukashev N. V. 
Published: December 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Reaction of Enamines of the 1,2,3,4‐Tetrahydrobenzo[f]isoquinoline Series with 2,3‐Dichloro‐1,4‐naphthoquinone.
Authors: Polygalova N. N. , Mikhailovskii A. G. , Gein V. L. , Vakhrin M. I. 
Published: December 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
New Mesoionic Systems of Azolopyridine Series. Part 2. Synthesis, Structures, and Biological Activity of 2‐Aminothiazolo[3,2‐a]pyridinium Salts and Thiazolo[3,2‐a]pyridinium 2‐Imidates.
Authors: Babaev E. V. , Bush A. A. , Orlova I. A. , Rybakov V. B. , Iwataki I. 
Published: December 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Antitumor Activity of 2‐Aryl‐7‐fluoro‐6‐(4‐methyl‐1‐piperazinyl)‐4(3H)‐quinazolinones.
Authors: Abdel‐Jalil Raid J. , Aldoqum Hani M. , Ayoub Mikdad T. , Voelter Wolfgang 
Published: December 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Clinical trial accrual among new cancer patients at a community‐based cancer center
Authors: Go Ronald S. , Frisby Kathleen A. , Lee Jennifer A. , Mathiason Michelle A. , Meyer Christine M. , Ostern Jodi L. , Walther Sara M. , Schroeder Jonean E. , Meyer Lori A. , Umberger Kathryn E. 
Published: December 2005

AbstractBACKGROUNDTo the authors' knowledge, only limited data are available regarding clinical trial accrual patterns and the barriers encountered among newly diagnosed patients seen at community‐based cancer centers.METHODSIn the current study, the authors prospectively collected clinical and sociodemographic data from all adult patients seen at a community‐based cancer center who had new cancers diagnosed between 2003–2004. Clinical trial enrollment decisions were noted and factors that prevented accrual were identified.RESULTSThere was a total of 1012 new cancer patients. In 587 patients (58%), clinical trials appropriate for the diagnosis and stage of disease were not available. Among those patients for whom trials were available, 19.8% did not meet eligibility criteria, and only 9.9% of patients were enrolled. Although more trials were found to be available for women compared with men (51% vs. 32%; P < 0.01), the accrual rates were equal (11.2% vs. 7.6%; P = 0.24). Elderly patients comprised approximately 59.4% of those patients with available trials, but they were less likely to be enrolled (5.1% vs. 16.8%; P < 0.01). The major barriers to nonparticipation can be grouped into protocol limitations (68.1%), physician triage (16%), and patient decisions (15.9%). The overall accrual rate when all patients were included was 4% (42 of 1012 patients).CONCLUSIONSAt the study institution, participation in clinical trials is reported to be low. The unavailability of appropriate clinical trials represents the most significant barrier. Continuing efforts to encourage physicians and to educate patients remain necessary. If the current study findings are found to be applicable to other community‐based cancer centers, making a larger variety of clinical trials available to the community may help to improve the accrual of patients to national cancer clinical trials. Cancer 2006. © 2005 American Cancer Society.
American founder mutation for Lynch syndrome
Authors: Lynch Henry T. , de la Chapelle Albert , Hampel Heather , Wagner Anja , Fodde Riccardo , Lynch Jane F. , Okimoto Ross , Clark Mary Beth , Coronel Stephanie , Trowonou Abdon , Fu Yun‐Xin , Haynatzki Gleb R. , Gong Gordon 
Published: December 2005

AbstractBACKGROUNDRecently, a new founder mutation, an exon 1–6 deletion in a mismatch repair gene (MMR), MSH2, in nine kindreds with Lynch syndrome was reported. In 3 of the kindreds this mutation was traced by genealogy through 11–12 generations to a common founder, and thus termed the American Founder Mutation (AFM). Since then, 13 additional ‘unrelated’ kindreds with AFM were detected by a recently designed single polymerase chain reaction. This test might serve as first‐line screening for Lynch syndrome mutations, provided AFM was prevalent, which is assessed in the current study.METHODSThe number of current AFM carriers and the incidence of Lynch syndrome caused by AFM were estimated based on population growth of mutation carriers derived from genealogy data. For cross‐checking, its annual incidence was also estimated based on published epidemiology data.RESULTSThere are 18,981 (5th and 95th percentiles, 6038 and 34,466, respectively) expected current AFM carriers, or 160 (range 51–290) Lynch syndrome cases diagnosed per year due to AFM estimated based on genealogy data. The incidence estimate closely overlaps with that based on published epidemiology data, which is 114–400 cases per year.CONCLUSIONSA large number of AFM carriers are likely to exist in the U.S., which harbors significant implications for cancer control. Given the ease of detection, testing for AFM not only among members of the existing AFM families, but also among all patients with Lynch syndrome in the U.S. is proposed. Cancer 2006. © 2005 American Cancer Society.
Epithelioid sarcoma in children and adolescents
Authors: Casanova Michela , Ferrari Andrea , Collini Paola , Bisogno Gianni , Alaggio Rita , Cecchetto Giovanni , Gronchi Alessandro , Meazza Cristina , Garaventa Alberto , Di Cataldo Andrea , Carli Modesto 
Published: December 2005

AbstractBACKGROUNDEpithelioid sarcoma (ES) is an uncommon malignant soft tissue tumor. To the authors' knowledge, little information is available to date concerning its clinical features and management in children and adolescents, particularly with regard to the recently described proximal‐type variant. The current study concerns 30 patients age < 18 years who were enrolled in the Italian Soft Tissue Sarcoma Committee protocols.METHODSHistopathologic specimens, clinical data, and treatment modalities were reviewed for the current analysis. Nineteen patients had classic ES and 11 had proximal‐type ES. Surgery was the mainstay of treatment; radiotherapy was given to six patients considered to be at risk of local disease recurrence due to incomplete resection, and chemotherapy was administered to eight patients.RESULTSWith a median follow‐up of 66 months, the 5‐year event‐free survival (EFS) and overall survival (OS) rates were 61.7% and 92.4%, respectively, but the OS rate dropped to 86.9% and 72.4%, respectively, at 10 years and 15 years. Local disease recurrence was the major cause of treatment failure. The most significant finding influencing both EFS and OS was tumor site, with a tumor location in the extremities predicting a favorable outcome. Initially unfavorable clinical findings and a worse outcome were associated with the proximal‐type variant of ES. A response to chemotherapy was noted in three of the seven patients with measurable disease.CONCLUSIONSThe current study confirms some typical features of ES (i.e., the peculiar superficial distal location [i.e., the hand, fingers], indolent growth, and a tendency to recur locally). The current study data do not clearly confirm the strong tendency for the lymph node involvement described in adult ES patients. Further studies are needed to better define the clinical behavior and biology of the proximal‐type variant of ES. Cancer 2006. © 2005 American Cancer Society.
Axial symmetric stationary thermoelastic analysis by triple‐reciprocity BEM
Authors: Ochiai Yoshihiro , Sladek Vladimir , Sladek Jan 
Published: December 2005

AbstractThe paper deals with the boundary integral formulation for solution of 3‐D axial symmetric problems of stationary thermo‐elasticity with including the domain heat sources. The domain integral of heat sources is converted into boundary integrals of a new field variable and another summation term involving the function values of another field variable at isolated interior points. Making use of the triple‐reciprocity method, the unknown boundary densities as well as the interior point unknowns are computed by solving the integral equations without the need to use domain cells in discretization. The integral kernels involved in the developed boundary integral formulation for axial symmetric problems are received by angular integration of 3‐D kernels with using cylindrical co‐ordinates. The explicit expressions of the kernels are collected in appendix and two numerical examples are considered for illustration of the accuracy and efficiency of the proposed approach. Copyright © 2005 John Wiley & Sons, Ltd.
Newton‐like iteration methods for solving non‐linear equations
Authors: Chun Changbum , Ham YoonMee 
Published: December 2005

AbstractIn this paper, Newton‐like iteration methods for solving non‐linear equations or improving the existing iteration methods are proposed. The iteration formulae are obtained by applying the homotopy perturbation method which contains the well‐known Newton iteration formula in logic, so those improving the Newton method. The orders of convergence of some of those iteration formulae are derived analytically and by applying symbolic computation of Maple. Some numerical illustrations are given. Copyright © 2005 John Wiley & Sons, Ltd.
Enriched finite element methods for unsteady reaction–diffusion problems
Authors: Franca L. P. , Ramalho J. V. A. , Valentin F. 
Published: December 2005

AbstractWe develop enriched finite element methods for parabolic singularly perturbed problems. A Petrov–Galerkin strategy is employed, where the test and the trial spaces are enriched with ‘bubble’ and multiscale functions, respectively. We examine two semi‐discrete formulations for the unsteady reaction–diffusion equation, namely the method of lines and a variation of it inspired by the Rothe method. Numerical tests validate the approaches. Copyright © 2005 John Wiley & Sons, Ltd.
Automatic Grid workflow based on imperative programming languages
Authors: Sirvent Raül , Pérez Josep M. , Badia Rosa M. , Labarta Jesús 
Published: December 2005

AbstractGRID superscalar is a Grid programming environment that enables one to parallelize the execution of sequential applications in computational Grids. The run‐time library automatically builds a task data‐dependence graph of the application and it can be seen as an implicit workflow system. The current interface supports C/C++ and Perl applications. The run‐time library is based on Globus Toolkit 2.x using GRAM and GSIFTP services. In this document we describe the GRID superscalar basics emphasizing those aspects related to Grid workflow, in particular the flexibility of using an imperative language to describe the application. Copyright © 2005 John Wiley & Sons, Ltd.
Contextual constraint modeling in Grid application workflows
Authors: Graham Greg , Afaq Anzar , Evans David , Guglielmo Gerald , Wicklund Eric , Love Peter 
Published: December 2005

AbstractThis paper introduces a new mechanism for specifying constraints in distributed workflows. By introducing constraints in a contextual form, it is shown how different people and groups within collaborative communities can cooperatively constrain workflows. A comparison with existing state‐of‐the‐art workflow systems is made. These ideas are explored in practice with an illustrative example from High‐Energy Physics. Copyright © 2005 John Wiley & Sons, Ltd.
Does Silica Surface Catalyse Peptide Bond Formation? New Insights from First‐Principles Calculations
Authors: Rimola Albert , Tosoni Sergio , Sodupe Mariona , Ugliengo Piero 
Published: December 2005

AbstractThe role that silica surface could have played in prebiotic chemistry as a catalyst for peptide bond formation has been addressed at the B3LYP/6‐31+G(d,p) level for a model reaction involving glycine and ammonia on a silica cluster mimicking an isolated terminal silanol group present at the silica surface. Hydrogen‐bond complexation between glycine and the silanol is followed by the formation of the mixed surface anhydride SisurfOC(O)R, which has been suggested in the literature to activate the CO bond towards nucleophilic attack by a second glycine molecule, here simulated by the simpler NH3 molecule. However, B3LYP/6‐31+G(d,p) calculations show that formation of the surface mixed anhydride SisurfOC(O)R is disfavoured (ΔrG298≈6 kcal mol−1), and that the surface bond only moderately lowers the free‐energy barrier of the nucleophilic attack responsible for peptide bond formation (ΔG${{{{\ne}\hfill \atop 298\hfill}}}$≈48 kcal mol−1) in comparison with the uncatalysed reaction (ΔG${{{{\ne}\hfill \atop 298\hfill}}}$≈52 kcal mol−1). A further decrease of the free‐energy barrier of peptide bond formation (ΔG${{{{\ne}\hfill \atop 298\hfill}}}$≈41 kcal mol−1) is achieved by a single water molecule close to the reaction centre acting as a proton‐transfer helper in the activated complex. A possible role of strained silica surface defects on the formation of the surface mixed anhydride SisurfOC(O)R has also been addressed.
Linear Extended ArcJet‐CVD – a New PECVD Approach for Continuous Wide Area Coating Under Atmospheric Pressure
Authors: Hopfe V. , Rogler D. , Maeder G. , Dani I. , Landes K. , Theophile E. , Dzulko M. , Rohrer C. , Reichhold C. 
Published: December 2005

AbstractA new type of DC‐powered plasma source (LARGE) was developed and evaluated for continuous plasma‐enhanced (PE) CVD under atmospheric pressure. The linear extended emanating plasma sheet was scaled‐up to various working widths with the result that a half meter range has already been achieved. A CVD reactor was designed for continuous deposition of non‐oxide materials. The reactor operates in a remote atmospheric pressure (AP) PECVD configuration with typical deposition rates of 5–50 nm s–1 (static) and 0.1–1.0 nm m s–1 (dynamic).The potential application range of the ArcJet‐CVD technology was evaluated by screening studies with various substrates, (stainless steel, glass, silicon wafers) and coating materials (silica, carbon, silicon nitride). In‐situ process characterization has been provided by both optical emission and Fourier transform infrared (FTIR) spectroscopy. A range of atomic and molecular intermediates, precursor fragments, and reaction products were identified, leading to the conclusion that a complete conversion of the element‐organic precursors into an inorganic layer takes place.
Neuropeptide Y receptors as therapeutic targets in anxiety and depression
Authors: Sajdyk Tammy J. 
Published: December 2005

AbstractThis brief overview is focused on the role of neuropeptide Y (NPY) receptors and their involvement in stress behaviors, particularly as they relate to stress‐induced psychiatric disorders. Also discussed is the potential for each of the receptors in the development of novel therapeutic treatments in the field of psychiatry. To date, there are four known human receptor subtypes: Y1, Y2, Y4, and Y5. NPY receptor subtypes Y1, Y2, and Y5 are implicated in anxiety and depression, whereas the Y4 receptor appears to be involved in feeding and endocrine regulation. Clinical evidence suggests that deficiencies in NPY levels within the cerebrospinal fluid correlate with reported anxiety or depression. Likewise, the preclinical studies have shown that anxiety and/or depressive‐like behaviors in animals also correlate with NPY activity. Specifically, the animal data show that central administration of Y1 and Y5 receptor agonists will decrease anxiety‐like responses, whereas a Y2 antagonist is necessary for a similar effect. Given the detrimental effects of chronic stress in the development of psychiatric illness, and the limitations of some of the current treatments, NPY receptors are a promising new therapeutic target for mood and affective disorders. Drug Dev. Res. 65:301–308, 2005. © 2005 Wiley‐Liss, Inc.
X‐ray Crystal Structure and Characterization in Aqueous Solution of{N,N′‐Ethylenebis(pyridoxylaminato)}zinc(II)
Authors: Correia Isabel , Dornyei Agnes , Avecilla Fernando , Kiss Tamás , Costa Pessoa João 
Published: December 2005

AbstractThe complexation of ZnII with H2Rpyr2en [H2Rpyr2en = N,N′‐ethylenebis(pyridoxylaminato)] in aqueous solution has been studied by pH potentiometry and 1H NMR spectroscopy. Complex formation constants are determined and binding modes proposed. Complex formation starts at around pH 4, and several species with a 1:1 ligand‐to‐metal ratio with different protonation states form up to pH 12. Only above pH 10 does a hydrolytic species [ZnLH–1]– become important. The crystal and molecular structures of [ZnCl(H2Rpyr2en)]+Cl–·1.5H2O (1) have been determined by X‐ray diffraction. The coordination of the H2Rpyr2en ligand involves the two phenolate‐O and two amine‐N atoms in a distorted square‐pyramidal geometry. The two pyridine‐N atoms are protonated, and a Cl– atom completes the coordination sphere. Upon coordination, both N‐amine atoms of H2Rpyr2en become stereogenic centres, and in both molecules of the unit cell of 1 one of the N‐amine donors has an (R)‐configuration, and the other an (S)‐configuration. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
An Investigation of the Reactivity of [(diimine)(dithiolato)M] Complexes Using the Fukui Functions Concept
Authors: Makedonas Christodoulos , Mitsopoulou Christiana A. 
Published: December 2005

AbstractFukui functions are widely used when investigating the reactivity of organic molecules, but rarely with metal complexes. Here, we investigate the reactivity of [(diimine)(dithiolato)M] complexes with different types of reagents and upon oxidation employing this concept. Mixed‐ligand complexes of this type have a peculiar electronic description due to the mixed‐metal‐ligand‐to‐ligand charge‐transfer band, which is why they are considered as very promising candidates for non‐linear optical (NLO) materials and molecular photochemical devices (MPD). As a result, their reactivity is of crucial importance for their potential applications. The obtained results of f+ and f– for the neutral [(diimine)(dithiolato)M] complexes (M = Pd, Ni and Pt) not only predict that the sulfur atom is the preferable active site for electrophilic attack but also reveal the different tunability of these complexes when they are subjected to an oxidation process, in agreement with experimental results. Under the framework of the Fukui indices we also provide an alternative explanation for crystal packing that could find widespread application. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Synthesis of Carrier‐Transporting Dendrimers with Perylenebis(dicarboximide)s as a Luminescent Core
Authors: Pan Jianfeng , Zhu Weihong , Li Shangfeng , Xu Jun , Tian He 
Published: December 2005

AbstractWell‐defined, modular dendrimers enable processing techniques and electronic properties to be tuned independently. Moreover, the dendritic topology can isolate the core chromophore, thus reducing or eliminating strong intermolecular interactions. This paper presents the synthesis of three series of flexible, dendron‐functionalized dendrimers as red‐light‐emitting materials by a convergent approach: (1) carbazole (CZ) or oxadiazole (OXZ) terminated imide‐type dendrimers, (2) cascade energy‐transferring imide‐type dendrimers, and (3) CZ‐terminated perylene bay‐type dendrimers. They all consist of the luminescent core of perylenebis(dicarboximide)s with specific functional groups of CZ or OXZ at the periphery and are constructed from flexible Fréchet‐type poly(aryl ether) dendrons. The chemical structures of the dendrons and dendrimers were determined by standard spectroscopic techniques including 1H and 13C NMR spectroscopy and low/high‐resolution mass spectrometry (ESI or MALDI‐TOF). The dendrimers are designed on the basis of the following considerations: (1) dendron functionalization to incorporate CZ or OXZ units to realize the carrier‐injection adjustment, (2) tuning or improving solubility, functionality, glass‐transition temperature (Tg) with well‐defined dendrons, and (3) avoiding luminescence quenching with the help of high site‐isolation of dendrons to enhance core luminescence. DSC results indicate that the incorporation of Fréchet‐type poly(aryl ether) dendrons can improve the amorphous properties and increase Tg. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Preparation of New, Optically Active 1,2‐Ferrocenyldiamine Ligands and Their Application to Ruthenium‐Catalyzed Asymmetric Transfer Hydrogenation of Ketones
Authors: Fukuzawa Shin‐ichi , Suzuki Takashi 
Published: December 2005

AbstractThe treatment of (R,R)‐1,2‐bis(1‐acetoxy‐1‐phenylmethyl)ferrocene (1) with azidotrimethylsilane in CH2Cl2 in the presence of a catalytic amount of a Lewis acid such as Cu(OTf)2 or Sc(OTf)3, at –40 °C for 24 h, gives a mixture of two diastereomeric ferrocenyl diazides 4 and 5 in an 80:20 ratio. The major isomer (R,R)‐4 is formed with retention of configuration at both benzylic chiral centers whereas the minor isomer meso‐(R,S)‐5 is formed with inversion of configuration at one of the two chiral centers. After a shorter reaction time (12 h), the (R,R)‐ferrocenylazido acetate 6 was isolated as a single diastereomer, which gave 4 and 5 under the same conditions with almost the same ratio as with the longer reaction time. These results show that the first step of the reaction is the substitution, with retention of configuration, of the exo acetate of 1 by means of an iron‐assisted ionization, i.e., neighboring‐group participation, then the endo acetate is replaced by the azide ion with retention or inversion of configuration to give 4 or 5, respectively. The optically active complex 4 could be converted into the corresponding ferrocenyldiamine 2 by reduction with LiAlH4, and its ditosylamide 8a and diacetamide 8b were isolated as stable compounds. The ferrocenyldiamine and both diamides were used as ligands in the ruthenium‐catalyzed asymmetric transfer hydrogenation of aryl ketones, and the complex with 2 gave 1‐arylethanols in good yields with up to 75 % ee.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Chromogenic Meroterpenoids from the Mushrooms Russula ochroleuca and R. viscida
Authors: Sontag Bernd , Rüth Matthias , Spiteller Peter , Arnold Norbert , Steglich Wolfgang , Reichert Matthias , Bringmann Gerhard 
Published: December 2005

AbstractThe spirodioxolactone ochroleucin A1 (1) is responsible for the red colour produced when the stalk base of Russula ochroleuca and R. viscida is treated with aqueous KOH. The labile chromogen rearranges easily into the isomeric dilactoneochroleucin A2 (2). Ochroleucin A1 is accompanied by the biosynthetically related hemiacetal ochroleucin B (5). The new compounds, whose structures were established by MS and NMR methods, appear to be derived biosynthetically by oxidative condensation of two monomeric units. One of them, 2,5‐dihydroxy‐4‐(3‐methylbut‐3‐en‐1‐ynyl)benzaldehyde (6), was detected in the crude toadstool extract by GC/MS comparison with a synthetic sample. The absolute configurations of the ochroleucins A1 and B have been determined by quantum chemical calculation of their CD spectra. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)