bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crosslinking cotton with poly(itaconic acid) and in situ polymerization of itaconic acid: Fabric mechanical strength retention
Authors: Yang Charles Q. , Hu Cheng , Lickfield Gary C. 
Published: January 2003

AbstractPolycarboxylic acids have been used as nonformaldehyde durable press finishing agents for cotton fabrics. Previously, we found that itaconic acid (IA) polymerized in situ on cotton fabric and also in an aqueous solution in the presence of a K2S2O8/NaH2PO2 initiation system. Both poly(itaconic acid) (PIA) and the polymer formed by in situ polymerization of IA are able to crosslink cotton cellulose, thus imparting wrinkle resistance to cotton. In this research, we compared the performance of the cotton fabric crosslinked by PIA and that crosslinked by in situ polymerization of IA. The fabric treated with PIA and that treated with IA had similar wrinkle recovery angles. The cotton fabric treated with IA, however, lost more tensile strength than that treated with PIA due to cellulose degradation. We determined the magnitude of the fabric tensile strength loss attributed to crosslinking by separating the tensile strength loss due to cellulose degradation from the total tensile strength loss, and found that the tensile strength loss caused by crosslinking for the fabric treated with PIA was significantly higher than that for the fabric treated with IA. This can probably be attributed to more concentrated crosslinkages formed on the near surface of the PIA‐treated cotton fabric. PIA had poorer penetration into the amorphous cellulose region in fiber interior due to its much larger molecular size, thus increasing its concentration on the fabric's near surface. The data also suggest that more concentrated crosslinkages on the fabric surface reduced fabric abrasion resistance. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 87: 2023–2030, 2003
Ligand‐accelerated cadmium‐catalyzed asymmetric allylation reactions in aqueous media
Authors: Kobayashi Shū , Aoyama Naohiro , Manabe Kei 
Published: January 2003

AbstractCatalytic asymmetric allylation of aldehydes with allyltributyltin in aqueous media has been realized using combinations of cadmium bromide and chiral diamine ligands. These ligands were found to accelerate the reactions significantly. Chirality 15:124–126, 2003. © 2003 Wiley‐Liss, Inc.
New bulky chiral Lewis acid catalyst: 3,3′‐di(2‐mesitylethynyl)binaphthol–titanium(iv) complex
Authors: Ishihara Kazuaki , Kobayashi Jun , Nakano Kazuhiko , Ishibashi Hideaki , Yamamoto Hisashi 
Published: January 2003

AbstractA new chiral Lewis acid catalyst 9 was prepared in situ from a 1:2 molar mixture of (R)‐3,3′‐di(2‐mesitylethynyl)binaphthol (6) and titanium(IV) isopropoxide at ambient temperature. The 3‐ and 3′‐substituents on 6 were effective for preventing undesired aggregation between Ti(IV) complexes and increasing the enantioselectivity (up to 82% ee) in the Diels–Alder reaction of methacrolein with cyclopentadiene. Chirality 15:135–138, 2003. © 2003 Wiley‐Liss, Inc.
Synthesis of 9‐N‐cinchona alkaloid peptide hybrid derivatives: preparation and conformational study of 9‐N‐acylamino(9‐deoxy)cinchona alkaloids
Authors: Sundermeier Uta , Döbler Christian , Mehltretter Gerald M. , Baumann Wolfgang , Beller Matthias 
Published: January 2003

AbstractThe synthesis and conformational analyses of several 9‐N‐acylamino(9‐deoxy)cinchona alkaloids is presented. Peptides were connected to cinchona alkaloids via a 9‐amino group. The synthesis of the new cinchona alkaloid derivatives was performed straightforwardly from 9‐amino(9‐deoxy)dihydroquinidine via coupling with carboxylic acid chlorides and several dipeptides. Both alkaloid derivatives with the configuration of the corresponding natural product as well as its unnatural epimer were studied. The conformations of the prepared derivatives in solution were determined by NMR spectroscopy. It is shown that the conformation is strongly influenced by the configuration at the 9‐position. Chirality 15:127–134, 2003. © 2003 Wiley‐Liss, Inc.
Derivatization, complexation, and absolute configurational assignment of chiral primary amines: Application of exciton‐coupled circular dichroism
Authors: Zhang Jing , Holmes Andrea E. , Sharma Akanksha , Brooks Neil R. , Rarig Randy S. , Zubieta Jon , Canary James W. 
Published: January 2003

AbstractWe report here a sensitive method for the determination of the absolute configurations of primary amines using exciton‐coupled circular dichroism (ECCD). The method works on a microgram scale by derivatization of chiral amines with quinoline chromophores. Complexation of the chiral ligands with metal ion fixes the geometry of the chromophores, resulting in a twist that is governed by the asymmetric carbon configuration and steric environment of the amine. The absolute configurations of the primary amines can be interpreted from the couplets of the ECCD spectra of the derivatized complexes. Crystal structures, 2D NMR studies, and semiempirical calculations provide structural evidence for our model. Chirality 15:180–189, 2003. © 2003 Wiley‐Liss, Inc.
Determination of the absolute configuration and solution conformation of gossypol by vibrational circular dichroism
Authors: Freedman Teresa B. , Cao Xiaolin , Oliveira Regina V. , Cass Quezia B. , Nafie Laurence A. 
Published: January 2003

AbstractVibrational circular dichroism (VCD) measurements and density functional theory (DFT) calculations were used to obtain the first definitive assignment of the absolute configuration for the polyphenolic binaphpthyl dialdehyde gossypol and a determination of the solution conformation in CDCl3. VCD spectra recorded for the two resolved enantiomers are near mirror images and excellent agreement between the observed IR and VCD spectra and intensity calculations carried out at the DFT (B3LYP/6‐31G*) level establish the absolute configurations of (+)‐gossypol as P and (−)‐gossypol as M, with two conformations in CDCl3 solution that differ in isopropyl group orientation. Chirality 15:196–200, 2003. © 2003 Wiley‐Liss, Inc.
Enantiomerically pure nucleophiles in diastereoselective palladium catalysed allylic substitution reactions
Authors: Humphries Mark E. , Clark Barry P. , Regini Samantha , Acemoglu Lara , Williams Jonathan M.J. 
Published: January 2003

AbstractEnantiomerically pure α‐amino esters were applied in palladium catalysed allylic substitution reactions with moderate diastereoselectivity (up to 70% d.e.) using achiral ligands on symmetrical allylic acetates. Nucleophilic substitution of amino esters with enantiomerically pure ligands enabled diastereoselective ratios of 95:5 to be obtained. Chirality 15:190–195, 2003. © 2003 Wiley‐Liss, Inc.
Stereostructure–activity studies on agonists at the AMPA and kainate subtypes of ionotropic glutamate receptors
Authors: Johansen Tommy N. , Greenwood Jeremy R. , Frydenvang Karla , Madsen Ulf , Krogsgaard‐Larsen Povl 
Published: January 2003

Abstract(S)‐Glutamic acid (Glu), the major excitatory neurotransmitter in the central nervous system, operates through ionotropic as well as metabotropic receptors and is considered to be involved in certain neurological disorders and degenerative brain diseases that are currently without any satisfactory therapeutic treatment. Until recently, development of selective Glu receptor agonists had mainly been based on lead compounds, which were frequently naturally occurring excitants structurally related to Glu. These Glu receptor agonists generally contain heterocyclic acidic moieties, which has stimulated the use of bioisosteric replacement approaches for the design of subtype‐selective agonists. Furthermore, most of these leads are conformationally restricted and stereochemically well‐defined Glu analogs. Crystallization of the agonist binding domain of the GluR2 subunit of the (RS)‐2‐amino‐3‐(3‐hydroxy‐5‐methyl‐4‐isoxazolyl)propionic acid (AMPA) receptor subtype of ionotropic Glu receptors in the presence or absence of an agonist has provided important information about ligand–receptor interaction mechanisms. The availability of these binding domain crystal structures has formed the basis for rational design of ligands, especially for the AMPA and kainate subtypes of ionotropic Glu receptors. This mini‐review will focus on structure–activity relationships on AMPA and kainate receptor agonists with special emphasis on stereochemical and three‐dimensional aspects. Chirality 15:167–179, 2003. © 2003 Wiley‐Liss, Inc.
First asymmetric synthesis of chiral β‐iodo Baylis‐Hillman esters via tandem 1,4‐conjugate addition/carbonyl coupling reactions
Authors: Xu Xin , Chen Dianjun , Wei Han‐Xun , Li Guigen , Xiao Tom Ling , Armstrong Daniel W. 
Published: January 2003

AbstractA new asymmetric approach to chiral β‐iodo Baylis‐Hillman hydroxy esters was developed via a tandem asymmetric I‐C/C‐C formation reaction. The reaction was conveniently carried out by slow addition of diethylaluminum iodide into a mixture of aldehyde and α,β‐acetylenic menthyl ester in dichloromethane at −23°C. Excellent geometric selectivity, promising diastereoselectivity and modest to high yields (up to 91%) were obtained. Chirality 15:139–142, 2003. © 2003 Wiley‐Liss, Inc.
Studies on the racemization of a stereolabile 5‐aryl‐thiazolidinedione
Authors: Welch Christopher J. , Kress Michael H. , Beconi Maria , Mathre David J. 
Published: January 2003

AbstractThe enantiomers of the stereolabile peroxisome proliferator‐activated receptor (PPAR) agonist, 1, were isolated by preparative chiral chromatography and their absolute configuration established using a combination of chromatographic and NMR methods. Enantiomer interconversion was investigated under a variety of conditions, with rapid racemization being observed in most solvents, including all aqueous systems studied, irrespective of pH. Rapid racemization in both dog and human plasma was confirmed by chiral HPLC with MS detection. Chirality 15:143–147, 2003. © 2003 Wiley‐Liss, Inc.
Concise stereocontrolled routes to fumagillol, fumagillin, and TNP‐470
Authors: Vosburg David A. , Weiler Sven , Sorensen Erik J. 
Published: January 2003

AbstractA concise, diastereoselective synthesis of (±)‐fumagillol (3) and formal, enantioselective syntheses of the potent angiogenesis inhibitors fumagillin (1) and TNP‐470 (2) are reported. The origin of asymmetry is a highly diastereoselective Diels‐Alder reaction using a diene with a chiral oxazolidinone auxiliary. The stereochemical course of a key conjugate addition reaction is controlled by the cup‐shaped architecture of a cis‐fused bicyclic enal. Other key steps include a facile hetero‐Claisen rearrangement and a site‐selective Sharpless epoxidation. Chirality 15:156–166, 2003. © 2003 Wiley‐Liss, Inc.
Analyticity and nonexistence of classical steady Hele‐Shaw fingers
Authors: Tanveer Saleh , Xie Xuming 
Published: January 2003

AbstractThis paper concerns analyticity of a classical steadily translating finger in a Hele‐Shaw cell and nonexistence of solutions when relative finger width λ is smaller than ½. It is proved that any classical solution to the finger problem, if it exists for sufficiently small but nonzero surface tension and is close to some Saffman‐Taylor zero‐surface‐tension solution and satisfies some algebraic decay conditions at ∞, must belong to the analytic function space A0, as defined in Section 1, and chosen in a previous study [34] of existence of finger solutions. Further, it is proved that for any fixed λ ∈ (0, ½), there can be no classical steady finger solution when surface tension is sufficiently small, in disagreement with a previous conclusion based on numerical simulation. © 2002 Wiley Periodicals, Inc.
Critical exponents for semilinear equations of mixed elliptic‐hyperbolic and degenerate types
Authors: Lupo Daniela , Payne Kevin R. 
Published: January 2003

AbstractFor semilinear Gellerstedt equations with Tricomi, Goursat or Dirichlet boundary conditions we prove Pohozaev type identities and derive non existence results that exploit an invariance of the linear part with respect to certain nonhomogeneous dilations. A critical exponent phenomenon of power type in the nonlinearity is exhibited in these mixed elliptic hyperbolic or degenerate settings where the power is one less than the critical exponent in a relevant Sobolev imbedding. © 2002 Wiley Periodicals, Inc.
The Grid Portal Development Kit
Authors: Novotny Jason 
Published: January 2003

AbstractComputational science portals are emerging as useful and necessary interfaces for performing operations on the Grid. The Grid Portal Development Kit (GPDK) facilitates the development of Grid portals and provides several key reusable components for accessing various Grid services. A Grid portal provides a customizable interface allowing scientists to perform a variety of Grid operations including remote program submission, file staging, and querying of information services from a single, secure gateway.The GPDK leverages off existing Globus/Grid middleware infrastructure as well as commodity Web technology including Java Server Pages and servlets. The design and architecture of the GPDK is presented as well as a discussion on the portal building capabilities of the GPDK, allowing application developers to build customized portals more effectively by reusing common core services provided by the GPDK. Copyright © 2002 John Wiley & Sons, Ltd.
The ASCI Computational Grid: initial deployment
Authors: Rheinheimer Randal , Beiriger Judy I. , Bivens Hugh P. , Humphreys Steven L. 
Published: January 2003

AbstractGrid Services, a Department of Energy Accelerated Strategic Computing Initiative program, has designed, implemented, and deployed a grid‐based solution for customer access to large computing resources at DOE weapons labs and plants. Customers can access and monitor diverse, geographically distributed resources using the common Grid Services interfaces. This paper discusses the architecture, security, and user interfaces of the Grid Services infrastructure. Published in 2002 by John Wiley & Sons, Ltd.
Ecce—a problem‐solving environment's evolution toward Grid services and a Web architecture
Authors: Schuchardt Karen , Didier Brett , Black Gary 
Published: January 2003

AbstractThe Extensible Computational Chemistry Environment (Ecce), an innovative problem‐solving environment, was designed a decade ago, before the emergence of the Web and Grid computing services. In this paper, we briefly examine the original Ecce architecture and discuss how it is evolving to incorporate both Grid services and components of the Web to increase its range of services, reduce deployment and maintenance costs, and reach a wider audience. We show that Ecce operates in both Grid and non‐Grid environments, an important consideration given Ecce's broad range of uses and user community, and discuss the strategies for loosely coupled components that make this possible. Both in‐progress work and conceptual plans for how Ecce will evolve are presented. Copyright © 2002 John Wiley & Sons, Ltd.
Mississippi Computational Web Portal
Authors: Haupt Tomasz , Bangalore Purushotham , Henley Gregory 
Published: January 2003

AbstractThis paper describes design and implementation of an open, extensible object‐oriented framework that allows the integration of new and legacy components into a single user‐friendly Grid computing environment. Thus we extend the researcher's desktop by providing seamless access to remote resources (that is, hardware, software, and data), and thereby simplifying currently difficult to comprehend and changing interfaces and emerging protocols. The user, through the familiar Web browser interface, is able to compose complex computational tasks represented as a collection of middle‐tier objects serving as proxies for services rendered by the back‐end. The proxies through a Grid resource broker use the Grid services, as defined by the Global Grid Forum, to access remote computational resources. The middle‐tier objects are persistent, and therefore once configured, simulation can be reused, shared between users, or undergo transition into operational or educational use. Copyright © 2002 John Wiley & Sons, Ltd.
The integrated simulation environment TENT
Authors: Schreiber Andreas 
Published: January 2003

AbstractThis paper describes recent development efforts on the integrated simulation environment TENT. TENT is a component‐based software integration and workflow management system using the capabilities of CORBA and Java. It is used to integrate the applications required to form complex workflows, which are typical of multidisciplinary simulations in engineering, in which different simulation codes have to be coupled.We present our work in integrating TENT with the Globus Toolkit to create a Grid computing environment. The Java Commodity Grid Toolkit has been especially useful for this work. Copyright © 2002 John Wiley & Sons, Ltd.
Web‐based access to the Grid using the Grid Resource Broker portal
Authors: Aloisio Giovanni , Cafaro Massimo 
Published: January 2003

AbstractThis paper describes the Grid Resource Broker (GRB) portal, a Web gateway to computational Grids in use at the University of Lecce. The portal allows trusted users seamless access to computational resources and Grid services, providing a friendly computing environment that takes advantage of the underlying Globus Toolkit middleware, enhancing its basic services and capabilities. Copyright © 2002 John Wiley & Sons, Ltd.
A software development environment for Grid computing
Authors: Müller M. S. , Gabriel E. , Resch M. M. 
Published: January 2003

AbstractGrid computing has become a popular concept in the last few years. While in the beginning the driving force was metacomputing, the focus has now shifted towards resource management issues and concepts like ubiquitous computing. For the High‐Performance Computing Center Stuttgart (HLRS) the key challenges of Grid computing have come from the demands of its users and customers. With high‐speed networks in place, programmers expect to be able to exploit the overall performance of several instruments and high‐speed systems for their applications. In order to meet these demands, HLRS has set out a research effort to provide these users with the necessary tools to develop and run their codes on clusters of supercomputers. This has resulted in the development of a basic Grid‐computing environment for technical and scientific computing. In this paper we describe the building blocks of this software development environment and focus specifically on communication and debugging. We present the Grid‐enabled MPI implementation PACX‐MPI and the MPI debugger MARMOT. Copyright © 2002 John Wiley & Sons, Ltd.
The Gateway computational Web portal
Authors: Pierce Marlon E. , Youn Choonhan , Fox Geoffrey C. 
Published: January 2003

AbstractIn this paper we describe the basic services and architecture of Gateway, a commodity‐based Web portal that provides secure remote access to unclassified Department of Defense computational resources. The portal consists of a dynamically generated, browser‐based user interface supplemented by client applications and a distributed middle tier, WebFlow. WebFlow provides a coarse‐grained approach to accessing both stand‐alone and Grid‐enabled back‐end computing resources. We describe in detail the implementation of basic portal features such as job submission, file transfer, and job monitoring and discuss how the portal addresses security requirements of the deployment centers. Finally, we outline future plans, including integration of Gateway with Department of Defense testbed Grids. Copyright © 2002 John Wiley & Sons, Ltd.
pyGlobus: a Python interface to the Globus Toolkit™
Authors: Jackson Keith R. 
Published: January 2003

AbstractDeveloping high‐performance, problem‐solving environments/applications that allow scientists to easily harness the power of the emerging national‐scale ‘Grid’ infrastructure is currently a difficult task. Although many of the necessary low‐level services, e.g. security, resource discovery, remote access to computation/data resource, etc., are available, it can be a challenge to rapidly integrate them into a new application.To address this difficulty we have begun the development of a Python‐based high‐level interface to the Grid services provided by the Globus Toolkit. In this paper we will explain why rapid application development using Grid services is important, look briefly at a motivating example, and finally look at the design and implementation of the pyGlobus package. Copyright © 2002 John Wiley & Sons, Ltd.
Engineering an interoperable computational collaboratory on the Grid
Authors: Mann Vijay , Parashar Manish 
Published: January 2003

AbstractThe growth of the Internet and the advent of the computational Grid have made it possible to develop and deploy advanced computational collaboratories. These systems build on high‐end computational resources, communication technologies and enabling services underlying the Grid, and provide seamless and collaborative access to resources, applications and data. Combining these focused collaboratories and allowing them to interoperate has many advantages and can lead to truly collaborative, multidisciplinary and multi‐institutional problem solving. However, integrating these collaboratories presents significant challenges, as each of these collaboratories has a unique architecture and implementation, and builds on different enabling technologies. This paper investigates the issues involved in integrating collaboratories operating on the Grid. It then presents the design and implementation of a prototype middleware substrate to enable a peer‐to‐peer integration of and global access to multiple, geographically distributed instances of the DISCOVER computational collaboratory. An experimental evaluation of the middleware substrate is presented. Copyright © 2002 John Wiley & Sons, Ltd.
Community software development with the Astrophysics Simulation Collaboratory
Authors: von Laszewski Gregor , Russell Michael , Foster Ian , Shalf John , Allen Gabrielle , Daues Greg , Novotny Jason , Seidel Edward 
Published: January 2003

AbstractWe describe a Grid‐based collaboratory that supports the collaborative development and use of advanced simulation codes. Our implementation of this collaboratory uses a mix of Web technologies (for thin‐client access) and Grid services (for secure remote access to, and management of, distributed resources). Our collaboratory enables researchers in geographically disperse locations to share and access compute, storage, and code resources, without regard to institutional boundaries. Specialized services support community code development, via specialized Grid services, such as online code repositories. We use this framework to construct the Astrophysics Simulation Collaboratory, a domain‐specific collaboratory for the astrophysics simulation community. This Grid‐based collaboratory enables researchers in the field of numerical relativity to study astrophysical phenomena by using the Cactus computational toolkit. Copyright © 2002 John Wiley & Sons, Ltd.
UNICORE—a Grid computing environment
Authors: Erwin Dietmar W. 
Published: January 2003

AbstractThis paper gives an overview of the goals, functions, architecture and future development of UNICORE. Its primary goal is to give researchers a seamless access to distributed resources that are available at remote sites. A graphical interface aids users to formulate jobs which are to be performed in a system and site independent fashion. This procedure allows switching between systems without having to change the job. Complex jobs with individual applications running on different systems at different sites may be formulated. UNICORE will perform synchronization and data transfers as required without any user intervention. UNICORE uses X.509 certificates to authenticate users, software and systems and provide secure communication over the internet. Copyright © 2002 John Wiley & Sons, Ltd.