bluuebunny/crossref_metadata_2025_split huggingface dataset:
Studies on Stereoselective Synthesis of Ethyl anti‐4‐Substituted Phenyl‐2‐oxo‐1,3‐oxazolidine‐5‐carboxylates and Their Antibacterial Activity.
Authors: Madhusudhan G. , Reddy G. Om , Ramanatham J. , Dubey P. K. 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
One‐Pot Three‐Step Synthesis of 3‐Aryl‐2‐benzoylimino‐4‐thiazolidinones in the Ionic Liquid [bmim+][PF6‐].
Authors: Peng Yanqing , Song Gonghua , Huang Feifei 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Antimicrobial Screening of 2,4‐Diaryl‐6‐[2′H‐[1′]‐4′‐hydroxy‐2′‐oxo‐benzopyran‐3′‐yl]pyridines and 2,6‐Diaryl‐4‐[2′H‐[1′]‐4′‐hydroxy‐2′‐oxo‐benzopyran‐3′‐yl]pyridines.
Authors: Mulwad V. V. , Satwe D. S. 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Imino Diels—Alder Reactions: Efficient Synthesis of Pyrano and Furoquinolines Catalyzed by ZrCl4.
Authors: Mahesh M. , Reddy Ch. Venkateshwar , Reddy K. Srinivasa , Raju P. V. K. , Reddy V. V. Narayana 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis of 2‐(Coumarin‐3‐yl)‐4‐(chromon‐3‐yl)‐benzopyrano[4,3‐b]pyridines.
Authors: Reddy G. Jagath , Thirupathaiah C. , Latha D. , Rao K. Srinivasa 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
A One‐Pot Synthesis of an Anellated [a]Aza‐thieno[3,2‐g]naphthalenone Through Ring Transformation Followed by Photocyclization.
Authors: Pratap Ramendra , Sharon Ashoke , Maulik Prakas R. , Ram Vishnu Ji 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Novel Adamantylated Pyrimidines and Their Preliminary Biological Evaluations.
Authors: Orzeszko Barbara , Kazimierczuk Zygmunt , Maurin Jan Krzysztof , Laudy Agnieszka Ewa , Starosciak Bohdan Jerzy , Vilpo Juhani , Vilpo Leena , Balzarini Jan , Orzeszko Andrzej 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis, Characterization and Electrochemical Behavior of Some Substituted 2‐Phenyl‐4‐ (4′‐arylazophenyl) ‐3‐thioxo‐2H‐3,4‐dihydro‐2,4,9,10‐tetraazaphenanthren‐1‐ones.
Authors: Sharma Pratibha , Kumar Ashok , Sharma Manisha , Upadhyay Siya 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis of 1‐Aryl‐1,2,3,4,5,6‐hexahydrophosphinine 1‐Oxides.
Authors: Keglevich Gyoergy , Sipos Melinda , Lengyel Dora , Forintos Henrietta , Koertvelyesi Tamas , Imre Timea , Toeke Laszlo 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Neurotropic Activity of the Adducts of Lambertianic Acid with N‐Substituted Maleimides.
Authors: Tolstikova T. G. , Sorokina I. V. , Dolgikh M. P. , Kharitonov Yu. V. , Chernov S. V. , Shul'ts E. E. , Tolstikov G. A. 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Reactions of Epoxides Prepared from Some Monoterpenes with Acetic Anhydride on Aluminosilicate Catalysts.
Authors: Tatarova L. E. , Korchagina D. V. , Volcho K. P. , Salakhutdinov N. F. , Barkhash V. A. 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Efficient Pyrimidine N‐1‐Alkylation via Activation of Electron Rich Olefins with Oxoammonium Salts: Synthesis of Methoxy TEMPO Substituted Pyrimidine Nucleoside Analogues.
Authors: Church Kevin M. , Holloway Liesel M. , Matley Ryan C. , Brower Robert J. III 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Cytotoxic Activity of Nepetin, a Flavonoid from Eupatorium ballotaefolium HBK.
Authors: Militao G. C. G. , Albuquerque M. R. J. R. , Pessoa O. D. L. , Pessoa C. , Moraes M. E. A. , de Moraes M. O. , Costa‐Lotufo Leticia V. 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Regioselective Synthesis of 6‐Alkyl‐ and 6‐Prenylpolyhydroxyisoflavones and 6‐Alkylcoumaronochromone Derivatives.
Authors: Tsukayama Masao , Wada Hironari , Kawamura Yasuhiko , Yamashita Kazuyo , Nishiuchi Masaki 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
9‐cis‐Retinoic Acid Analogues with Bulky Hydrophobic Rings: New RXR‐Selective Agonists.
Authors: Alvarez Rosana , Vega M. Jesus , Kammerer Sabrina , Rossin Aurelie , Germain Pierre , Gronemeyer Hinrich , de Lera Angel R. 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Coumarinolignans from the Root of Formosan Antidesma pentandrum var. barbatum.
Authors: Chen Yu‐Chang , Cheng Ming‐Jen , Lee Shoiw‐Ju , Dixit Ajay Kumar , Ishikawa Tsutomu , Tsai Ian‐Lih , Chen Ih‐Sheng 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Pharmacological Evaluation of Novel Arylpiperazine Derivatives as Nonsteroidal Androgen Receptor Antagonists.
Authors: Kinoyama Isao , Taniguchi Nobuaki , Yoden Toru , Koutoku Hiroshi , Furutani Takashi , Kudoh Masafumi , Okada Minoru 
Published: March 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
A performance comparison between the Earth Simulator and other terascale systems on a characteristic ASCI workload
Authors: Kerbyson Darren J. , Hoisie Adolfy , Wasserman Harvey J. 
Published: March 2005

AbstractThis work gives a detailed analysis of the relative performance of the recently installed Earth Simulator and the next top four systems in the Top500 list using predictive performance models. The Earth Simulator uses vector processing nodes interconnected using a single‐stage, cross‐bar network, whereas the next top four systems are built using commodity based superscalar microprocessors and interconnection networks. The performance that can be achieved results from an interplay of system characteristics, application requirements and scalability behavior. Detailed performance models are used here to predict the performance of two codes representative of the ASCI workload, namely SAGE and Sweep3D. The performance models encapsulate fully the behavior of these codes and have been previously validated on many large‐scale systems. One result of this analysis is to size systems, built from the same nodes and networks as those in the top five, that will have the same performance as the Earth Simulator. In particular, the largest ASCI machine, ASCI Q, is expected to achieve a similar performance to the Earth Simulator on the representative workload. Published in 2005 by John Wiley & Sons, Ltd.
Practical performance portability in the Parallel Ocean Program (POP)
Authors: Jones P. W. , Worley P. H. , Yoshida Y. , White J. B. , Levesque J. 
Published: March 2005

AbstractThe design of the Parallel Ocean Program (POP) is described with an emphasis on portability. Performance of POP is presented on a wide variety of computational architectures, including vector architectures and commodity clusters. Analysis of POP performance across machines is used to characterize performance and identify improvements while maintaining portability. A new design of the POP model, including a cache blocking and land point elimination scheme, is described with some preliminary performance results. Published in 2005 by John Wiley & Sons, Ltd.
HPCx: towards capability computing
Authors: Ashworth Mike , Bush Ian J. , Guest Martyn F. , Sunderland Andrew G. , Booth Stephen , Hein Joachim , Smith Lorna , Stratford Kevin , Curioni Alessandro 
Published: March 2005

AbstractWe introduce HPCx—the U.K.'s new National HPC Service—which aims to deliver a world‐class service for capability computing to the U.K. scientific community. HPCx is targeting an environment that will both result in world‐leading science and address the challenges involved in scaling existing codes to the capability levels required. Close working relationships with scientific consortia and user groups throughout the research process will be a central feature of the service. A significant number of key user applications have already been ported to the system. We present initial benchmark results from this process and discuss the optimization of the codes and the performance levels achieved on HPCx in comparison with other systems. We find a range of performance with some algorithms scaling far better than others. Copyright © 2005 John Wiley & Sons, Ltd.
Evaluation of dynamic response characteristics of seismically isolated bridges in Chile
Authors: Sarrazin Mauricio , Moroni Ofelia , Roesset José M. 
Published: March 2005

AbstractA complete renovation of the Pan‐American Highway from La Serena to Puerto Montt, Chile, has been recently completed, including the construction of several long‐span bridges, with different structural systems. Most of them have some sort of seismic protection, such as high‐damping rubber bearings, friction bearings or energy dissipation devices. Ambient vibration tests have been conducted on seven of these bridges to obtain their natural frequencies, modes of vibration, and equivalent damping, under small amplitude vibrations. In two of them local accelerometer networks have been installed for continued monitoring of their seismic behavior and a number of earthquakes have already been recorded. The seismic records show clearly the beneficial effect of the isolation and energy dissipation devices in the longitudinal direction. Analytical models with different degrees of complexity have been developed to reproduce the recorded behavior under ambient vibration and moderate earthquakes. This paper presents some of the data obtained and summarizes the research done by the authors over the last 10 years at the University of Chile on the seismic protection of bridges. Copyright © 2005 John Wiley & Sons, Ltd.
Practical population group assignment with selected informative markers: Characteristics and properties of Bayesian clustering via STRUCTURE
Authors: Yang Bao‐Zhu , Zhao Hongyu , Kranzler Henry R. , Gelernter Joel 
Published: March 2005

AbstractPopulation stratification, which is caused by population genetic substructure (PGS), is a critical issue for the design and interpretation of genetic association studies. Methods to address this problem have been devised, but little is known at this point about practical genotyping requirements for resolving PGS based on different marker characteristics. In this report, we seek to (1) identify a small, practical marker set to differentiate African Americans (AAs) from European Americans (EAs), and (2) assess the impact of marker efficiency and sample size on clustering individuals into subgroups by the methods of STRUCTURE (Pritchard et al., [2000a] Genetics 155:945–959). A panel of 37 markers was genotyped for 865 individuals (640 EAs and 225 AAs) from the Northeastern United States. Among EAs, the assignment accuracy reached >99% using only the 4 most efficient markers. Among AAs, the assignment accuracy exceeded 95% when using the 6 most informative markers. Smaller sample size increased the variance in population differentiation, rather than degrading the results consistently. We conclude that the use of marker‐efficiency measures for marker selection yielded a relatively small set of STR markers that were effective at differentiating EA and AA populations. The number of markers required is much lower than has been suggested in previous studies. Genet. Epidemiol. 2005. © 2005 Wiley‐Liss, Inc.
NMR and Luminescence Binding Studies of Ytterbium, Thulium, and Europium Macrocyclic Complexes with Phosphorus(V) Oxy Anions
Authors: Atkinson Paul , Bretonnière Yann , Parker David , Muller Gilles 
Published: March 2005

AbstractThe binding of a series of phosphate anions to coordinatively unsaturated macrocyclic complexes of Yb, Tm, and Eu was studied by 1H‐NMR, emission and circularly polarized luminescence (CPL) spectroscopy. Each ternary adduct was distinguished by its spectral profile. With O‐phosphorylated amino acids and peptides, chemoselective ligation of the phosphate moiety was favored by Eu over chelation involving the terminal amino group, which was competitive for Tm and Yb. A preference for binding O‐phosphono‐L‐tyrosine sites was found with various Eu complexes, and was signalled by ratiometric changes in metal‐based emission and CPL spectra.
Influence of Decreasing Solvent Polarity (1,4‐Dioxane/Water Mixtures) on the Acid–Base and Copper(II)‐Binding Properties of Guanosine 5′‐Diphosphate
Authors: Bianchi Emanuela M. , Griesser Rolf , Sigel Helmut 
Published: March 2005

AbstractThe acidity constants of twofold protonated guanosine 5′‐diphosphate, H2(GDP)−, and the stability constants of the [Cu(H;GDP)] and [Cu(GDP)]− complexes were determined in H2O as well as in 30 or 50% (v/v) 1,4‐dioxane/H2O by potentiometric pH titrations (25°; I=0.1M, NaNO3). The results showed that in H2O one of the two protons of H2(GDP)− is located mainly at the N(7) site and the other one at the terminal β‐phosphate group. In contrast, for 50% 1,4‐dioxane/H2O solutions, a micro acidity‐constant evaluation evidenced that ca. 75% of the H2(GDP)− species have both protons phosphate‐bound, because the basicity of pyridine‐type N sites decreases with decreasing solvent polarity whereas the one of phosphate groups increases. In the [Cu(H;GDP)] complex, the proton and the metal ion are in all three solvents overwhelmingly phosphate‐bound, and the release of this proton is inhibited by decreasing polarity of the solvent. Based on previously determined straight‐line plots of log K$\rm{_{Cu(R-DP)}^{Cu}}$ vs. pK$\rm{_{H(R-DP)}^{H}}$ (where R represents a non‐interacting residue in simple diphosphate monoesters ROP(O−)(O)OP(O)(O−)2, RDP3−), which were now extended to mixed solvents (based on analogies), it is concluded that, in all three solvents, the [Cu(GDP)]− complex is more stable than expected based on the basicity of the diphosphate residue. This increased stability is attributed to macrochelate formation of the phosphate‐coordinated Cu2+ with N(7) of the guanine residue. The formation degree of this macrochelate amounts in aqueous solution to ca. 75% (being thus higher than that of the Cu2+ complex of adenosine 5′‐diphosphate) and in 50% (v/v) 1,4‐dioxane/H2O to ca. 60%, i.e., the formation degree of the macrochelate is only relatively little affected by the change in solvent, though it needs to be emphasized that the overall stability of the [Cu(GDP)]− complex increases with decreasing solvent polarity. By including previously studied systems in the considerations, the biological implications are shortly discussed, and it is concluded that Nature has here a tool to alter the structure of complexes by shifting them on a protein surface from a polar to an apolar region and vice versa.
Syntheses and Structures of Homo‐ and Heterobimetallic Complexes Containing a (Cyclopentadienone)rhodium(I) Fragment
Authors: Gauthier Sébastien , Scopelliti Rosario , Severin Kay 
Published: March 2005

AbstractThe reaction of [RhCl(η4‐Ph2R2C4CO)]2 (R=Ph, 2‐naphthyl) with the dimeric complexes [RuCl2(p‐cymene)]2 p‐cymene=1‐methyl‐4‐(1‐methylethyl)benzene, [RuCl2(1,3,5‐Et3C6H3)]2, [MCl2(Cp*)]2 (M=Rh, Ir; Cp*=1,2,3,4,5‐pentamethylcyclopenta‐2,4‐dien‐1‐yl), [RuCl2(CO)3]2, [RuCl2(dcypb)(CO)]2 (dcypb=butane‐1,4‐diylbis[dicyclohexylphosphine]), [(dppb)ClRu(μ‐Cl)2(μ‐OH2)RuCl(dppb)] (dppb=butane‐1,4‐diylbis[diphenylphosphine]), and [(dcypb)(N2)Ru(μ‐Cl)3RuCl(dcypb)] was investigated. In all cases, mixed, chloro‐bridged complexes were formed in quantitative yield (see 5–8, 9–16, 18, 19, 21, and 22). The six new complexes 5, 8, 9, 13, 15, and 22 were characterized by single‐crystal X‐ray analysis (Figs. 1–3).
Control of Redox Potential by Deprotonation of Coordinated 1H‐Imidazole in Complexes of 2‐(1H‐Imidazol‐2‐yl)pyridine
Authors: Stupka Gilles , Gremaud Ludovic , Williams Alan F. 
Published: March 2005

AbstractComplexes [ML3]2+ of the bidentate ligand 2‐(1H‐imidazol‐2‐yl)pyridine were prepared with iron(II), cobalt(II), and ruthenium(II). The electronic spectra suggest the ligand to be a weaker σ‐donor and π‐acceptor than the closely related 2,2′‐bipyridine. The complexes are readily deprotonated by addition of base, and the effect of the deprotonation is to lower the MIII/MII redox potential by roughly 900 mV. This is roughly 75% of the drop observed for related complexes of 2,6‐di‐1H‐imidazol‐2‐ylpyridine, and suggests the effect to be largely coulombic in origin.
Extending the Pressure–Temperature State Diagram of Myoglobin
Authors: Meersman Filip , Smeller László , Heremans Karel 
Published: March 2005

AbstractThe pressure–temperature (P,T) diagram of proteins proposed by Hawley concerns the equilibrium between native and denatured forms. However, the importance of protein aggregation is increasingly recognized, and it has been suggested that certain aggregated states represent alternative folds of the polypeptide chain. Here, we present a P,T‐diagram for myoglobin in which we include the aggregated state and suggest to call it a P,T‐state diagram, as not all boundaries are true equilibrium transitions. We observe by Fourier transform infrared spectroscopy that increasing temperature causes the protein to aggregate, but that a subsequent further temperature increase results in the dissociation of this aggregate. Moreover, we observe that moderate pressures stabilize myoglobin against thermal denaturation. We hypothesize that this effect originates from the volume changes associated with the aggregation transition.
Synthesis and Characterization of New Water‐Soluble Hydrides of RuII: A Step towards Dinitrogen Activation?
Authors: Loy Maxime , Laurenczy Gábor 
Published: March 2005

AbstractThe basic aqueous coordination chemistry of RuII has been studied using the catalytically important TPPTS phosphine (TPPTS=trisodium salt of 3,3′,3″‐phosphinetriylbenzenesulfonic acid) and small gas molecules (H2, CO, N2) as ligands. As a result, new water‐soluble ruthenium mixed hydride complexes, presumably key species in many industrial catalytic processes, have been formed and identified. The RuII mixed hydrides were synthesized, and their formation was followed in situ by multinuclear NMR spectroscopy, pressurizing aqueous RuIITPPTS systems with H2 and CO gas in sapphire NMR tubes. The formation equilibrium of these complexes is highly dependant on the temperature and the gas pressures. Under 50 atm of N2, the unique [RuH(CO)(N2)(TPPTS)2(H2O)]+ complex has been identified, which could be the first step toward dinitrogen activation.
Allyl‐Functionalised Ionic Liquids: Synthesis, Characterisation, and Reactivity
Authors: Zhao Dongbin , Fei Zhaofu , Geldbach Tilmann J. , Scopelliti Rosario , Laurenczy Gábor , Dyson Paul J. 
Published: March 2005

AbstractThe two known Me‐ and allyl‐substituted 1H‐imidazol‐3‐ium bromides 1 and 2, respectively, were converted to the corresponding BF$\rm{_{4}^{-}}$ and BPh$\rm{_{4}^{-}}$ salts 3–6 (Scheme 1). Compounds 3 and 4 were liquids at ambient temperature. Reaction of 1 or 2 with [PdCl2] afforded the corresponding 2 : 1 imidazolium/metal complexes 7 and 8. The latter complex, melting at 58°, can be regarded as a ‘true’ ionic liquid. Attempts to polymerise 7 by radical promotion (AIBN) were unsuccessful, but resulted in the centrosymmetric 2 : 1 complex 9. The allyl group of 1 could be arylated (giving rise to 10) or hydrogenated (at 100 bar H2 pressure). The solid‐state structures of compounds 5–7 and 9 were solved by means of single‐crystal X‐ray analyses (Figs. 1–4).
Synthesis, Spectroscopy, and Hydroformylation Activity of Sterically Demanding, Phosphite‐Modified Cobalt Catalysts
Authors: Meijboom Reinout , Haumann Marco , Roodt Andreas , Damoense Llewellyn 
Published: March 2005

AbstractThe dinuclear complex [Co2(CO)6{P(O‐2,4‐t‐Bu2C6H3)3}2] (6) has been synthesised and fully characterised. X‐Ray crystal‐structure analysis revealed a trans‐diaxial geometry, no bridging carbonyls, and CoCo and CoP bond lengths of 2.706(5) and 2.134(4) Å, respectively. The hydroformylation of pent‐1‐ene in the presence of 6 was studied at 120–180° at pressures between 20 and 80 bar Syngas. High‐pressure (HP) spectroscopy (IR, NMR) was used to detect potential hydride intermediates. HP‐IR Studies revealed the formation of [CoH(CO)3{P(O‐2,4‐t‐Bu2C6H3)3}] (2) at ca. 105°, with no significant amount of [CoH(CO)4] detectable. The intermediate 2 was synthesised and characterised. The formation of the undesired complex [CoH(CO)2{P(O‐2,4‐t‐Bu2C6H3)3}2] was completely suppressed due to the large cone angle of the sterically demanding phosphite.
Fibrin adhesive implant in wound healing repair of dental sockets with topical application of epsilon aminocaproic acid: Histological analysis
Authors: Padovan Luis Eduardo M. , Okamoto Tetuo , Rezende Maria Cristina Rossifini Alves , Curvêllo Victor Prado , Nicolielo Daniela , Matsumoto Mariza Akemi 
Published: March 2005

AbstractThe aim of the study was to evaluate wound healing repair of dental sockets after topical application of 5% epsilon‐aminocaproic acid (EACA) and the use of fibrin adhesive implant in rats under anticoagulant therapy with warfarin. Sixty Albinus wistar rats were used, divided into three groups of 20. In Group I, the animals were given 0.1 mL/100 mg of 0.9% saline solution per day, beginning 6 days before dental extraction and continuing throughout the experimental period. In Group II, the animals received 0.03 mL of sodium warfarin daily, beginning 6 days before the surgery and continuing until the day of sacrifice; after tooth extractions, the sockets were filled with fibrin adhesive material. In Group III the animals were treated as in Group II, and after extractions, the sockets were irrigated with 5 mL of 5% EACA and filled with the same fibrin adhesive material. All groups presented biological phases of wound healing repair, the differences being evident only in the chronology. The results obtained in Group III were very similar to those of Group I in the last period of wound repair, whereas Group II presented a late chronology compared to the other groups. © 2005 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater
Cortical bone screw fixation in ionically modified apatite cements
Authors: Barralet J. E. , Duncan C. O. , Dover M. S. , Bassett D. C. , Nishikawa H. , Monaghan A. , Gbureck U. 
Published: March 2005

AbstractHydroxyapatite cements are used in reconstruction of the face; usually in well‐defined cavities where the cement can be stabilized without the need for internal fixation. A hydroxyapatite cement that could enable screw fixation and some loading therefore has considerable potential in maxillofacial reconstruction. It has been demonstrated recently that water demand of calcium phosphate cements can be reduced by ionically modifying the liquid component. This study investigated the capacity of an ionically modified precompacted apatite cement to retain self‐tapping cortical bone screws. Screw pullout forces were determined in the direction of the screw long axis and perpendicular to it, using cortical bone and polymethylmethacrylate cement as a control. In bending pullout tests, measured forces to remove screws from ionically modified precompacted cement were insignificantly different from cortical bone. However, pullout forces of bone screws from hydroxyapatite cement decreased with aging time in vitro. © 2005 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater