bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prediction of protein interaction sites from sequence profile and residue neighbor list
Authors: Zhou Huan‐Xiang , Shan Yibing 
Published: August 2002

AbstractProtein–protein interaction sites are predicted from a neural network with sequence profiles of neighboring residues and solvent exposure as input. The network was trained on 615 pairs of nonhomologous complex‐forming proteins. Tested on a different set of 129 pairs of nonhomologous complex‐forming proteins, 70% of the 11,004 predicted interface residues are actually located in the interfaces. These 7732 correctly predicted residues account for 65% of the 11,805 residues making up the 129 interfaces. The main strength of the network predictor lies in the fact that neighbor lists and solvent exposure are relatively insensitive to structural changes accompanying complex formation. As such, it performs equally well with bound or unbound structures of the proteins. For a set of 35 test proteins, when the input was calculated from the bound and unbound structures, the correct fractions of the predicted interface residues were 69 and 70%, respectively. Proteins 2001;44:336–343. © 2001 Wiley‐Liss, Inc.
Examination of possible structural constraints of MHC‐binding peptides by assessment of their native structure within their source proteins
Authors: Schueler‐Furman Ora , Altuvia Yael , Margalit Hanah 
Published: August 2002

AbstractAntigenic peptides bind to major histocompatibility complex (MHC) molecules as a prerequisite for their presentation to T cells. In this study, we investigate possible structural preferences of MHC‐binding peptides by examining the conformation space defined by the structures of these peptides within their native source proteins. Comparison of the conformation space of the native structures of MHC‐binding nonamers and a corresponding conformation space defined by a random set of nonamers showed no significant difference. This suggests that the environment of the MHC binding groove has evolved to bind peptides with essentially any “structural background.” A slight tendency for an extended β‐conformation at positions 8 and 9 was observed for the set of native structures. We suggest that such a preference may facilitate the binding of the C‐terminal anchor position of processed peptides into the corresponding specificity pocket. MHC‐binding peptides represent examples of short subsequences that are present in two different structural environments: within their native protein and within the MHC binding groove. Comparison of the native and of the bound structure of the peptides showed that peptides up to 14 residues long may adopt different conformations within different protein environments. This has direct implications for structure prediction algorithms. Proteins 2001;45:47–54. © 2001 Wiley‐Liss, Inc.
Quantification of plasma and egg 4,4′‐dinitrocarbanilide (DNC) residues for the efficient development of a nicarbazin‐based contraceptive for pest waterfowl
Authors: Johnston John J , Britton Walter M , MacDonald Alexander , Primus Thomas M , Goodal Margaret J , Yoder Christi A , Miller Lowell A , Fagerstone Kathleen A 
Published: August 2002

AbstractUrbanization and associated landscaping has increased the abundance of year‐round habitat for waterfowl, resulting in vegetation damage, loss of recreational activities, air transportation mishaps and health hazards. As part of a research program to develop socially acceptable techniques for management of pest bird populations, we are evaluating nicarbazin as a contraceptive in pest and surrogate avian species. As reproductive studies with Canada Geese (Branta canadensis) are tedious due to the difficulty of conducting controlled field studies and/or breeding geese in captivity, we evaluated the effects of oral nicarbazin administration on the production and hatchability of chicken eggs. Blood plasma and egg DNC concentrations were correlated to contraceptive efficacy. Subsequent studies are being conducted with geese to determine the diet nicarbazin concentration required to produce the desired blood and plasma DNC concentrations. This approach permits the expeditious evaluation of formulations and dosing regimes by simply monitoring blood DNC concentrations in target species.Published in 2001 by John Wiley & Sons, Ltd.
Synthesis and solution characterization of a porphyrin‐CCK8 conjugate
Authors: De Luca Stefania , Tesauro Diego , Di Lello Paola , Fattorusso Roberto , Saviano Michele , Pedone Carlo , Morelli Giancarlo 
Published: August 2002

AbstractIn this paper we report the synthesis and a detailed NMR solution characterization of a new CCK8 analogue and its indium(III) complex, PK‐CCK8 and In‐PK‐CCK8. The new compounds contain a porphyrin moiety covalently bound through an amide bond to the side chain of a Lys residue introduced at the N‐terminus of CCK8. A molecular dynamics simulation, based on the NMR structure of the complex between CCK8 and the N‐terminal extracellular arm of the CCKA receptor, is also reported. Both the NMR study and the molecular dynamics simulation indicate that the porphyrin–peptide conjugate might be able to bind to the CCKA receptor model. The results of the molecular dynamics calculations show that the conformational features of the CCK8/CCKA receptor model complex and of the PK‐CCK8/CCKA receptor‐model complex are similar. This evidence supports the view that the introduction of the porphyrin‐Lys moiety does not influence the mode of ligand binding to the CCKA receptor model. The NMR structure of PK‐CCK8 in DMSO consists of a well defined pseudo‐helical N‐terminal region, while the C‐terminal region is flexible. Moreover, the absence of NOE contacts between the porphyrin and the peptide indicates that the macrocyclic ring is directed away from the peptide region involved in the binding with the receptor. Copyright © 2001 European Peptide Society and John Wiley & Sons, Ltd.
Effect of Aloe vera leaves on blood glucose level in type I and type II diabetic rat models
Authors: Okyar Alper , Can Ayşe , Akev Nuriye , Baktir Gül , Sütlüpinar Nurhayat 
Published: August 2002

AbstractAloe vera (L.) Burm. fil. (= A. barbadensis Miller) (Liliaceae) is native to North Africa and also cultivated in Turkey. Aloes have long been used all over the world for their various medicinal properties. In the past 15 years, there have been controversial reports on the hypoglycaemic activity of Aloe species, probably due to differences in the parts of the plant used or to the model of diabetes chosen. In this study, separate experiments on three main groups of rats, namely, non‐diabetic (ND), type I (IDDM) and type II (NIDDM) diabetic rats were carried out. A. vera leaf pulp and gel extracts were ineffective on lowering the blood sugar level of ND rats. A. vera leaf pulp extract showed hypoglycaemic activity on IDDM and NIDDM rats, the effectiveness being enhanced for type II diabetes in comparison with glibenclamide. On the contrary, A. vera leaf gel extract showed hyperglycaemic activity on NIDDM rats. It may therefore be concluded that the pulps of Aloe vera leaves devoid of the gel could be useful in the treatment of non‐insulin dependent diabetes mellitus Copyright © 2001 John Wiley & Sons, Ltd.
Evaluation of Ophthacare® eye drops—a herbal formulation in the management of various ophthalmic disorders
Authors: Biswas N. R. , Gupta S. K. , Das G. K. , Kumar N. , Mongre P. K. , Haldar D. , Beri S. 
Published: August 2002

AbstractAn open prospective multicentre clinical trial was conducted in patients suffering from various ophthalmic disorders namely, conjunctivitis, conjunctival xerosis (dry eye), acute dacryocystitis, degenerative conditions (pterygium or pinguecula) and postoperative cataract patients with a herbal eye drop preparation (Ophthacare®) containing basic principles of different herbs which have been conventionally used in the Ayurvedic system of medicine since time immemorial. These include Carum copticum, Terminalia belirica, Emblica officinalis, Curcuma longa, Ocimum sanctum, Cinnamomum camphora, Rosa damascena and meldespumapum. These herbs reportedly possess antiinfective and antiinflammatory properties. The present study was undertaken to elucidate the role of this herbal product in a variety of eye ailments. Side effects, if any, were noted during the study. An improvement was observed with the treatment of the herbal eye drop treatment in most cases.There were no side effects observed during the course of the study and the eye drop was well tolerated by the patients. The herbal eye drop Ophthacare® has a useful role in a variety of infective, inflammatory and degenerative ophthalmic disorders. Copyright © 2001 John Wiley & Sons, Ltd.
Rice Bran Oil and γ‐Oryzanol in the Treatment of Hyperlipoproteinaemias and Other Conditions
Authors: Cicero A. F. G. , Gaddi A. 
Published: August 2002

AbstractDiet is the first (and sometimes the only) therapeutic approach to hyperlipoproteinaemias. Rice bran oil and its main components (unsaturated fatty acids, triterpene alcohols, phytosterols, tocotrienols, α‐tocopherol) have demonstrated an ability to improve the plasma lipid pattern of rodents, rabbits, non‐human primates and humans, reducing total plasma cholesterol and triglyceride concentration and increasing the high density lipoprotein cholesterol level. Other potential properties of rice bran oil and γ‐oryzanol, studied both in vitro and in animal models, include modulation of pituitary secretion, inhibition of gastric acid secretion, antioxidant action and inhibition of platelet aggregation. This paper reviews the available data on the pharmacology and toxicology of rice bran oil and its main components with particular attention to those studies relating to plasma lipid altering effects. Copyright © 2001 John Wiley & Sons, Ltd.
Antiinflammatory activity from aerial parts of Baccharis Medullosa, Baccharis rufescens and Laennecia sophiifolia in mice
Authors: Cifuente Diego A. , Simirgiotis Mario J. , Favier L. Silvina , Rotelli Alejandra E. , Pelzer Lilian E. 
Published: August 2002

AbstractThe antiinflammatory activities of ten organic extracts from the aerial parts of Baccharis medullosa DC., Baccharis rufescens S. and Laennecia sophiifolia (Kunth) G. L. Nesom were investigated in mice subjected to carrageenan induced paw oedema. Intraperitoneally administered organic extracts given at doses equivalent to 80 mg/kg of material inhibited the acute phases of inflammation in this model. Our results indicate that the most effective extracts were: n‐hexane (I) from B. medullosa, acetone (V) and chloroform (VII) from L. sophiifolia, and acetone (VIII) and chloroform (X) from B. rufescens. All exerted the strongest effect at 5 h after injection of the phlogistic agent. Copyright © 2001 John Wiley & Sons, Ltd.
Ab initio study of electronic spectra of merocyanine 540 and its photoproducts
Authors: Mach P. , Urban J. , Leszczynski J. 
Published: August 2002

AbstractMolecular structures of three derivatives of merocyanine 540 (MC 540) were studied using the density functional method in conjunction with the 6‐31G*, 6‐31G**, and 6‐311G** basis sets. The excited states were calculated using the configuration interaction method involving singly excited configurations (CIS). The predicted transition energies and oscillator strength agree well with the experimental UV adsorption spectra of the studied systems. The existence of two stable conformers of merocyanine explain the experimentally observed dependence of the UV spectra upon the change of concentration of added salts. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
Hamiltonian factorization on the quantum phase space
Authors: Morales‐Guzmán J. D. , Morales J. , Peña J. J. 
Published: August 2002

AbstractUsing a special phase space representation, we propose a factorization of the Hamiltonian in this representation in spite of its more complex structure. Also, based on the link existing between the intertwining technique and SUSY we find the phase space supercharges and the supersymmetric partner Hamiltonian. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Theoretical study of the Rydberg spectra of chemically relevant isovalent radicals
Authors: Martín I. , Velasco A. M. , Lavín C. 
Published: August 2002

AbstractIn the present work we have studied the Rydberg spectroscopic behavior of the CH3 and SiH3 isovalent radicals. The molecular‐adapted quantum defect orbital (MQDO) method has been employed in our calculations, which have been extended to the radicals' isolated central atoms, C and Si. The similarities observed between the intensities of analogous transitions in the atoms and the corresponding radicals have not only served the purpose of assessing the quality of our calculations but also offer some potential practical usefulness. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Molecular view of charge exchange in ion–C60 collisions
Authors: Ruiz L. F. , Hervieux P. A. , Hanssen J. , Politis M. F. , Martín F. 
Published: August 2002

AbstractWe present a theoretical study of charge transfer in H++C60 and He2++C60 collisions using an extension of the molecular time‐dependent method of ion–atom collisions. Energy‐correlation diagrams have been evaluated for the corresponding (C60–H)+ and (C60–He)2+ quasi‐molecules. Single and double charge‐transfer cross sections in C60+He2+ collisions are reported for the first time. The results show that double charge‐transfer cross sections are only one order of magnitude smaller than single charge‐transfer cross sections. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
In search of new resonance structures in dissociative photoionization of H2
Authors: Fernández J. , Martín F. 
Published: August 2002

AbstractWe present a theoretical study of dissociative photoionization of H2 via the 1Πu symmetry in the photon energy range 30–43 eV. Our results explain the various peaks observed in the experiments below 40 eV and illustrate, in particular, the important role of the 2Πu(2pπu) ionization threshold. At higher photon energies, they suggest the existence of new resonance structures that may be associated with doubly excited states of H2 lying above the third and fourth ionization thresholds (the Q3 and Q4 resonance series). From the calculated resonance parameters, we conclude that the dominant mechanism at high photon energies should involve the Q4 (and probably higher) doubly excited states of H2. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2002
Frequency map analysis and scars in molecular vibrations
Authors: Losada J. C. , Benito R. M. , Arranz F. J. , Borondo F. 
Published: August 2002

AbstractIn a previous paper [ J Chem Phys 1998, 108, 63], an analysis of the phase space structure of the isomerizing molecular system LiNC/LiCN was presented, with the conclusion that the chaotic region was extremely influenced by the dynamics associated to a 1:8 resonance between the stretching LiCN and the bending modes. This result was inferred based on a very restricted calculation. In this work we generalize our previous study in order to assess the generality of our former conclusion. The quantum implications of this finding are also addressed. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Comparison of gas chromatography and liquid chromatography mass spectrometric measurements for high accuracy analysis of cholesterol in human serum by isotope dilution mass spectrometry
Authors: Wolff Briche Céline S. J. , Carter David , Webb Kenneth S. 
Published: August 2002

AbstractCholesterol measurements are of vital clinical importance and reliable reference materials are essential for method validation. Gas chromatography with mass spectrometry (GC/MS) is usually used for the high accuracy analysis of cholesterol by isotope dilution. A certified reference material for cholesterol content in human serum was analysed by isotope dilution utilising GC/MS and liquid chromatography mass spectrometry (LC/MS). The use of LC/MS avoided the need for a derivatisation step. Both LC/MS and GC/MS produced results on the measurement of cholesterol that agreed within 0.5% of the certified value. Moreover, the precision obtained for ratio measurement using both techniques are comparable and lead to relative expanded standard uncertainties (with a coverage factor of 2) varying between 0.2 and 0.5%. Copyright © 2002 John Wiley & Sons, Ltd.
Treatment of Perchlorate‐Contaminated Groundwater Using Highly Selective, Regenerable Ion‐Exchange Technology: A Pilot‐Scale Demonstration
Authors: Gu Baohua , Ku Yee‐Kyoung , Brown Gilbert M. 
Published: August 2002

AbstractTreatment of perchlorate‐contaminated groundwater using highly selective, regenerable ion‐exchange
technology has been recently demonstrated at Edwards Air Force Base, California. At an influent concentration of
about 450 μg/l ClO4−, the bifunctional anion‐exchange resin bed treated
approximately 40,000 empty bed volumes of groundwater before a significant breakthrough of
ClO4− occurred. The presence of relatively high concentrations of chloride and sulfate
in site groundwater did not appear to affect the ability of the bifunctional resin to remove
ClO4−. The spent resin bed was successfully regenerated using the
FeCl3−HCl regeneration technique recently developed at the Oak Ridge National
Laboratory, and nearly 100 percent of sorbed ClO4− was displaced or recovered after
elution with as little as about two bed volumes of the regenerant solution. In addition, a new methodology was
developed to completely destroy ClO4− in the FeCl3−HCl
solution so that the disposal of perchlorate‐containing hazardous wastes could be eliminated. It is
therefore anticipated that these treatment and regeneration technologies may offer an efficient and
cost‐effective means to remove ClO4− from contaminated groundwater with
significantly reduced generation of waste requiring disposal. © 2002 Wiley Periodicals, Inc.
Calibration of a measuring robot: Experimental results on a 5 DOF structure
Authors: Omodei Alberto , Legnani Giovanni , Adamini Riccardo 
Published: August 2002

AbstractAn original method for the static calibration of robots using the pose matching approach is presented. Three algorithms for the identification of the structural parameters are investigated. The procedure includes a methodology to automatically remove the unnecessary parameters for the robot under analysis. After a theoretical introduction, the methodology is practically applied to an actual 5 DOF measuring robot used in a shoe manufactory industry. The accuracy of the robot is increased up to its repeatability. © 2001 John Wiley & Sons, Inc.
What's in a name? Young adolescents' implicit conceptions of invention
Authors: Plucker Jonathan A. 
Published: August 2002

AbstractThe past few years have seen an increase in the amount of attention focused on invention and design education at the college and K‐12 levels. Given these efforts, the dearth of research on students' preexisting conceptions of invention is surprising. Knowledge of invention beliefs and attitudes will inform educational efforts by allowing educators to target the curriculum and accompanying activities more effectively than is possible without this knowledge. In this study, 55 sixth‐grade students completed open‐ended survey questions related to their conceptions of “invention.” Results suggest that students have few or simplistic conceptions of the invention and patent processes. Prior exposure to invention instruction or previous experience with inventing did not appear to have an impact on students' conceptions of invention. In order to dispel these superficial implicit theories, educators involved with invention programs should consider the use of active, situated teaching techniques such as project‐ and problem‐based learning. © 2002 Wiley Periodicals, Inc. Sci Ed 86:149–160, 2002; DOI 10.1002/sce.10011
Epistemic levels in argument: An analysis of university oceanography students' use of evidence in writing
Authors: Kelly Gregory J. , Takao Allison 
Published: August 2002

AbstractThe purpose of this paper is to examine university oceanography students' use of evidence in writing. Drawing from rhetorical studies of science writing and studies of argumentation in science education, a model for assessing students' arguments is proposed that considers the relative epistemic status of propositions comprising students' written texts. The study was conducted in an introductory university oceanography course in a large public university that utilized an interactive CD‐ROM that provided geological data sets for student exploration of scientific questions. Student arguments were analyzed through a process of sorting propositions by epistemic level and identifying the explicit links within and across levels. These epistemic levels were defined by discipline‐specific geological constructs from descriptions of data, to identification of features, to relational aspects of features, to theoretically formulated assertions. This form of argumentation analysis allowed for assessment of each student's writing on normative grounds and for comparisons across students' papers. Results show promise for the argumentation model as a methodological tool. The examination of epistemic status of knowledge claims provided ways of distinguishing the extent to which students adhered to the genre conventions specified by the task, i.e., providing evidentiary support for their argument concerning the theory of plate tectonics with real earth data. We draw on the findings to discuss ways argumentation theory can contribute to reform in science education. © 2002 Wiley Periodicals, Inc. Sci Ed 86:314–342, 2002; Published online in Wiley Interscience (www.interscience.wiley.com). DOI 10.1002/sce.10024
Strategic management of complex projects: a case study using system dynamics
Authors: Lyneis James M. , Cooper Kenneth G. , Els Sharon A. 
Published: August 2002

AbstractSystem dynamics models have been used extensively over the last 20 years on complex development projects and have proven their value in contributing to significantly improved project performance. System dynamics models facilitate the strategic management of projects, including planning the project (setting the initial schedule and budget, the organization structure, process model, etc.), determining measurement and reward systems, evaluating risks, and learning from past projects. The use of system dynamics for strategic project management is illustrated with a case study of the Peace Shield Air Defense System. On this project, the model was used to support the project bid, to identify and manage risks, and to assess the benefit of several process and organization changes which were implemented on the project. Upon completion, the project results were systematically compared to an earlier project to assess the management lessons—what worked and what did not, and what was the benefit. These lessons were systematized in a management learning system. Copyright © 2001 John Wiley & Sons, Ltd.
Surface morphological characterization of yeast cells by scanning force microscopy
Authors: Méndez‐Vilas Antonio , Gallardo Amparo M. , Pérez‐Giraldo Ciro , González‐Martín María Luisa , Nuevo María J. 
Published: August 2002

AbstractA scanning probe microscope was used to analyse surface morphological characteristics and adhesion forces of the yeast cell Candida parapsilosis 294 incubated at two temperatures (22 and 37 °C). The simultaneous use of contact atomic force microscopy and lateral force microscopy allows two regions to be distinguished on the surface of the microbial cell with different friction characteristics. In addition, measurements of force curves over each zone revealed very distinct values of the adhesion force. Both the adhesion force average on each zone and the one between them depend on incubation temperature. Jointly, these results suggest some differences in the surface composition of the cell wall between these regions. Copyright © 2001 John Wiley & Sons, Ltd.