bluuebunny/crossref_metadata_2025 huggingface dataset:
State of the Art and Future Needs in Cytogenetic/Molecular Genetics/Arrays in childhood lymphoma: Summary report of workshop at the First International Symposium on childhood and adolescent non‐Hodgkin lymphoma, April 9, 2003, New York City, NY
Authors: Heerema Nyla A. , Bernheim Alain , Lim Megan S. , Look A. Thomas , Pasqualucci Laura , Raetz Elizabeth , Sanger Warren G. , Cairo Mitchell S.
Published: August 2005

Background

A significant number of studies describe the cytogenetics and molecular genetics of adult non‐Hodgkin lymphoma (NHL); however, similar knowledge is lacking regarding pediatric NHL.

Methods

A workshop to discuss the “State of the Art and Future Needs in Cytogenetic/Molecular Genetics/Arrays” in pediatric NHL was held in conjunction with the First International Symposium on Childhood and Adolescent Non‐Hodgkin Lymphoma on April 9, 2003 in New York City.

Results

Cytogenetic characteristics of pediatric NHL include 14q11.2 rearrangements in T‐cell lymphoblastic leukemia/lymphomas (LBL), ALK rearrangements in anaplastic large cell lymphomas (ALCL), and CMYC translocations in both Burkitt and Burkitt‐like lymphomas (BL/BLL). Pediatric diffuse large B‐cell lymphoma (DLBCL) is cytogenetically different from DLBCL in adults, suggesting a different disease in children. Microarray studies demonstrate three types of T‐cell leukemia, the leukemic counterpart of LBL, that block T‐cell differentiation at different stages of T‐cell development, corresponding to LYL, TAL1, and HOX‐expressing leukemias. ALCL cell lines have a unique expression profile compared to normal T‐cells. Germinal centers of BL have CMYC expression signatures, indicating that CMYC expression is ectopic and does not reflect the physiology of the normal cell counterpart.

Conclusions

Additional cytogenetic, molecular and microarray investigations of NHL in children are vital to better understand these diseases, their etiology, and differences from adult NHL. A greater understanding of pediatric NHL will lead to disease‐specific and patient‐individualized therapies of these diseases. Pediatr Blood Cancer 2005;45:616–622. © 2005 Wiley‐Liss, Inc.
Managing the risks of therapeutic products: proceedings of a workshop
Authors: Kramer Judith M. ,   for the Participants in the Centers for Education and Research on Therapeutics (CERTs) Workshop entitled: Managing the Risks of Therapeutic Products
Published: August 2005

Traditional tools available to the Food and Drug Administration for managing known risks of therapeutic products (drugs, devices and biological products) have limited effectiveness. This report presents the recommendations of a multidisciplinary workshop focused on managing these risks. This is the last in a series of five workshops coordinated by the Centers for Education and Research on Therapeutics (CERTs) on assessing, communicating and managing the risks and benefits of therapeutic products. Workshop participants included experts from government, academia, industry and healthcare organizations, including consumers. Using a modified nominal group process, participants developed a consensus on principles that should govern future risk management (RM) programs, specifically: in order to protect the public health, risk management programs (RMPs) should be evidence‐based, science‐driven and patient‐focused. A plan to manage the risks of each new therapeutic product should be developed prior to its approval. Evaluation of both the processes and outcomes of RM is essential; these evaluations should be in the public domain. Participants also identified and prioritized research and policy gaps related to RM. Recommended research areas included determining the effectiveness of each element of RMPs, finding the best ways to inform healthcare consumers and determining the best way to present risk information in drug labeling. Policy questions included defining the criteria for requiring a RMP, determining the effect of privacy legislation on RMPs and determining how the continuum of risk across therapeutic products should be classified. As this workshop demonstrated, it is possible to develop a prioritized research and policy agenda to meet the needs of all constituencies. Collaboration across diverse government, academic, industry and constituency‐based organizations can lead to solutions for the perplexing problems involved in balancing the risks and benefits of therapeutic products. Patients deserve no less as we strive to protect their safety. Copyright © 2005 John Wiley & Sons, Ltd.
Shapeable matrix‐free Spectra® fiber‐reinforced polymeric composites via high‐temperature high‐pressure sintering: Process‐structure‐property relationship
Authors: Xu Tao , Farris Richard J.
Published: August 2005

In an exploratory effort to find a new way to make high‐performance composites used in ballistic protective applications, matrix‐free Spectra® fiber‐reinforced polymeric composites are produced via a novel processing method called high‐temperature high‐pressure sintering. Mechanical testing at ambient and elevated temperatures proves that the fibers can maintain their properties after processing. The characteristics and properties of the final products vary with different processing conditions. Their microstructure and morphology were investigated using SEM and WAXD. Their mechanical properties, including interlayer adhesion, rigidity, and ballistic performance, were measured and compared with those of the conventional composites. The sintering mechanism is proposed and verified. Spectra cloth is capable of being shaped to produce complex double curvatures by a thermoforming process, using a simple hemispherical mold. Success in different molding sequences and procedures shows the versatility in manufacturing. The theoretical background for the thermoformability is explained in terms of molecular interaction, microstructure, and morphology. Selective thermomechanical properties of the molded structures were measured. By combining the knowledge and information from the aforementioned studies, the process‐structure‐property relationship is established, which gives in‐depth and better understanding of this unique high‐temperature high‐pressure sintering process for consolidating Spectra cloth. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 2767–2789, 2005
Measuring the extent of phase separation during polymerization of composite latex particles using modulated temperature DSC
Authors: Stubbs Jeffrey M. , Sundberg Donald C.
Published: August 2005

The morphological features of composite latex particles predominantly develop during the polymerization process and depend upon a significant number of variables. In this study, we have concentrated on the relative polarities of the two polymers in the particles and the rate at which we added the monomers during semibatch reactions containing the seed polymer latex. Our particular interest was to develop data that could reveal the extent of polymer phase separation as a function of the amount of monomer fed, and to characterize the morphology resulting from it. While TEM is the most common analytical technique employed, we show in this paper that modulated temperature DSC can generate data that allows us to follow the phase separation process as the monomer feed progresses. By considering the possibilities of having “phases” within the particles of pure polymer, homogeneously mixed (but nonequilibrium) polymers, gradient and interfacial polymer, we have been able to quite successfully simulate the DSC data. This results in quantitative estimates of the relative amounts of these “phases” and their polymer compositions. Combining these results with TEM photos showing the spatial characteristics of the morphology, we can achieve a much greater understanding of the physical structure of the composite latex particles. In many cases we find that phase separation is far from complete at the end of the reaction process. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 2790–2806, 2005
Effect of flocculated structure on rheology of poly(butylene terephthalate)/clay nanocomposites
Authors: Wu Defeng , Zhou Chixing , Yu Wei , Fan Xie
Published: August 2005

The microstructure and rheological property of poly(butylene terephthalate) (PBT)/epoxy/montmorillonite nanocomposites (PCNs) were investigated. For the study, PCNs were prepared by melt intercalation in clay content of 4 wt % and, epoxy loadings were varied from 2 to 4 wt %. The intercalated PCNs are characterized by different techniques such as transmission electron microscopy, Fourier transform infrared and rheology. It is interesting that the percolated tactoids network in the ternary hybrids becomes insensitive to the shear deformation with the addition of epoxy in contrast to that in the sample without epoxy, which can be attributed to the formation of a flocculated structure of clay tactoids because of the chain‐extension reactions between PBT matrix and epoxy and possible hydrogen bonding. The flocculated structure has influence on the rheological behavior of the hybrids remarkably, strengthening the percolated strong‐associated‐tactoids network and reducing the percolation threshold, while not changing the strain‐scaling. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 2807–2818, 2005
pH‐responsive ionic poly(N,N‐diethylaminoethyl methacrylate‐co‐N‐vinyl‐2‐pyrrolidone) hydrogels: Synthesis and swelling properties
Authors: Çaykara Tuncer , Ayçiçek İbrahim
Published: August 2005

A series of an ionic hydrogels composed of N,N‐diethylaminoethyl methacrylamide (DEAEMA), N‐vinyl‐2‐pyrrolidone (VP), and itaconic acid were synthesized by free‐radical cross‐linking copolymerization in water–ethanol mixture by using N,N‐methylenebis(acrylamide) as the cross‐linker, ammonium persulfate as the initiator, and N,N,N′,N′‐tetramethylenediamine as the activator. The swelling behaviors of these hydrogels were analyzed in buffer solutions at various pH. It was observed that the swelling behavior of cross‐linked ionic poly(N,N‐diethylaminoethyl methacrylamide‐co‐N‐vinyl‐2‐pyrrolidone) [P(DEAEMA/VP)] hydrogels at different pH agreed with the modified Flory–Rehner equation based on the affine network model and the ideal Donnan theory. The swelling process in buffer solutions at various pH was found to be Fickian‐type diffusion. The pH‐reversibility and on–off switching properties of the P(DEAEMA/VP) hydrogels may be considered as good candidate to design novel drug‐delivery system. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 2819–2828, 2005
Relativistic density functional theory posed in terms of difference equations
Authors: March N. H.
Published: August 2005

Because real atoms have ground states, while relativistic Hamiltonians do not, there is a first‐principles reason to treat relativistic problems by means of density functional theory (DFT). Here, such a relativistic DFT is presented in terms of difference equations, which arise in turn from discretized differential equations. Two explicit examples considered are: (i) harmonically confined independent Fermions filling an arbitrary number of closed shells, and (ii) hydrogen‐like atomic ions for arbitrary atomic number Z. These findings are then compared and contrasted with wave function theories, going back at least to Wall. Finally, some proposals are put forward for future work, both theoretical and experimental, bearing on relativistic DFT formulated in terms of low‐order difference equations. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Relative energies of conformations and sulfinyl oxygen‐induced pentacoordination at silicon in 4‐bromo‐ and 4,4‐dibromo‐4‐silathiacyclohexane 1‐oxide: A computational study
Authors: Freeman Fillmore , Shainyan Bagrat A.
Published: August 2005

The equilibrium geometries and relative energies of the chair, twist, and boat conformations ofcis‐ andtrans‐4‐bromo‐4‐silathiacyclohexane 1‐oxide and 4,4‐dibromo‐4‐silathiacyclohexane 1‐oxide have been calculated at the B3LYP/6‐311G(d,p) and MP2/6‐311+G(d,p) theoretical levels. The axial (SO) chair conformers of the sulfoxides are of lower energy than the chair conformers of the corresponding equatorial (SO) sulfoxides. The chair conformer of the axial (SO)trans‐4‐bromo‐4‐silathiacyclohexane 1‐oxide is only 0.10 kcal/mol more stable than the corresponding 1,4‐boat conformer which is stabilized by a transannular coordination of the sulfinyl oxygen with silicon that results in trigonal bipyramidal geometry at silicon. The 1,4‐boat structure of equatorial (SO)trans‐4‐bromo‐4‐silathiacyclohexane 1‐oxide is a transition state and is 5.77 kcal/mol higher in energy than the respective chair conformer. The 1,4‐boat conformer of axial (SO) 4,4‐dibromo‐4‐silathiacyclohexane 1‐oxide is also stabilized by transannular coordination of the sulfinyl oxygen and silicon, but it is 4.31 kcal/mol higher in energy than the corresponding chair conformer. The relatively lower stability of the 1,4‐boat conformer of 4,4‐dibromo‐4‐silathiacyclohexane 1‐oxide may be due to repulsive interactions of the axial halogen and sulfinyl oxygen atom. The relative energies of the conformers and transition states are discussed in terms of hyperconjugative interactions, orbital interactions, nonbonded interactions, and transannular sulfinyl oxygen‐silicon coordination. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Table‐CI with macroconfiguration approach for describing electronic states of molecules in intense radiation fields
Authors: Khait Yuriy G. , Hoffmann Mark R.
Published: August 2005

Modifications to the recently introduced table‐driven multireference configuration interaction (CI) approach that uses macroconfigurations necessary for the efficient construction of electronic Floquet states are described. Adiabatic electronic Floquet states have recently shown promise as simplifying the description of the electronic structure of molecules in intense radiation fields. The algorithm for the table‐driven multireference CI approach that uses macroconfigurations for the calculation of electronic energies needs two principal modifications to extend use to the calculation of Floquet states. First, it must be possible to calculate electronic states of several irreducible representations of the molecular point group simultaneously. Second, matrix elements of the electronic dipole operator are required. It is demonstrated that the modifications that enable these capabilities are possible and in fact do not lessen the high computational efficiency of the energy algorithm. The modifications are described in sufficient detail, with appropriate formulas, to facilitate implementation. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Structural connotations of bioactivity in a series of organophosphinates
Authors: King James W. , Molnar Stephen P.
Published: August 2005

Pretreatment before exposure is one of the options for temporarily protecting persons liable to exposure to toxic organophosphorus compounds in agricultural or warfare situations. It is known that organophosphinates interact with neuronal cholinesterases, but that the latter may spontaneously reactivate in time. Before that reactivation, the enzyme is protected against comlexation with organophosphates. In this study, geometrically optimized unitary molecular indices, i.e., the molecular transforms, FTm, FTe, and FTc, indicating general, electronic, and charge properties, respectively, and the analogous normalized molecular moments, Mn, Me, and Mc, were calculated for a number of phosphinates. These indices were subsequently used in correlation trials with spontaneous reactivation percentages at specific elapsed times, as well as in clustering procedures, to evaluate the effect of structure variations on the reactivation percentages. The results of these studies are discussed, as is the effect of the octanol/water partition coefficient on the noted bioactivity. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Pyridine adsorbed on H‐Faujasite zeolite: Electrostatic effect of the infinite crystal lattice calculated from a point charge representation
Authors: Injan Natcha , Pannorad Narong , Probst Michael , Limtrakul Jumras
Published: August 2005

Calculations on cluster models of infinite systems require less computational effort and are technically simpler than periodic calculations, but they neglect, among other contributions, the effect of long‐range electrostatic interaction from the infinite crystal lattice. In the case of zeolites, such contributions can be important for adsorption processes and surface reactions. We test a simple method for including this effect into the calculation by generating a finite number of point charges placed on the lattice sites. These point charges reproduce the infinite electrostatic potential at the chemically important region of the zeolite. We apply this method to the adsorption of pyridine on H‐Faujasite zeolite. The embedding method gives an adsorption energy of −42.8 kcal/mol, which agrees well with the experimental value of −43.1 ± 1 kcal/mol. Without the electrostatic effect of the crystal field, the value is ∼9 kcal/mol higher. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Quantification of isomers from a mixture of twelve heparin and heparan sulfate disaccharides using tandem mass spectrometry
Authors: Behr Jonathan R. , Matsumoto Yuri , White Forest M. , Sasisekharan Ram
Published: August 2005

Heparin/heparan sulfate‐like glycosaminoglycans (HSGAGs) have been implicated in clinically relevant processes such as hemostasis, infection, development, and cancer progression, through their interactions with proteins. Electrospray ionization mass spectrometry (ESI‐MS) and tandem mass spectrometry (MSn) were combined to identify and quantify 12 HSGAG disaccharides that can be generated by enzymatic depolymerization with heparin lyases. This technique includes free amine‐containing disaccharides that had previously been observed in MSn but not quantified. Our methods use diagnostic product ions from MSn spectra of up to three isomeric disaccharides at once, and up to three sequential stages of MSn in tandem, for the quantitative analysis of the relative percentage of each of these isomers. The isomer quantification was validated using mock mixtures and showed acceptable accuracy and precision. These methods may be applied to the quantification of other isomers by MSn. While each of the 12 disaccharides alone had a linear response to an internal standard in the MS1 spectra, the individual response factors did not remain constant when the concentrations of the other 11 disaccharides in the mixtures fluctuated, due to competition for electrospray ionization. The absolute concentration of one fluctuating isomer was determined out of a constant mixture of the other disaccharides. The rapid, accurate, and sensitive quantification of all isomeric disaccharides may contribute to the eventual sequencing of longer saccharides by MSn, enabling the elucidation of the structure‐function relationships of HSGAGs. Copyright © 2005 John Wiley & Sons, Ltd.
Characterization of oligosaccharide moieties of intact glycoproteins by microwave‐assisted partial acid hydrolysis and mass spectrometry
Authors: Lee Bao‐Shiang , Krishnanchettiar Sangeeth , Lateef Syed Salman , Lateef Nabila Salman , Gupta Shalini
Published: August 2005

A method, which utilizes microwave‐assisted partial acid hydrolysis and matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry (MALDI‐TOFMS), to elucidate oligosaccharide composition of intact glycoproteins is presented here. Glycoproteins, such as ribonuclease B, avidin, α1‐acid glycoprotein, and fetuin, are used as model systems to demonstrate this technique. Partial cleavage of oligosaccharides from whole intact glycoproteins with trifluoroacetic acid was observed after a short exposure to microwaves. Due to the high‐resolution mass spectra obtained by MALDI‐TOFMS from glycoproteins with molecular weights less than 20 kDa, the compositions of oligosaccharides are readily derived for ribonuclease B and avidin. The data agree with the proposed oligosaccharide structures of ribonuclease B (five glycoforms) and avidin (eight glycoforms). Larger glycoproteins such as α1‐acid glycoprotein (many glycoforms) and fetuin (many glycoforms) exhibited only broad peaks with no glycoform resolution. Nevertheless, this method can be used successfully for analysis of glycoproteins with molecular weights greater than 20 kDa to determine the presence or absence of glycosylation. Copyright © 2005 John Wiley & Sons, Ltd.
Characterization of carotenoids and carotenoid esters in red pepper pods (Capsicum annuum L.) by high‐performance liquid chromatography/atmospheric pressure chemical ionization mass spectrometry
Authors: Schweiggert Ute , Kammerer Dietmar R. , Carle Reinhold , Schieber Andreas
Published: August 2005

Carotenoids and carotenoid esters were extracted from red pepper pods (Capsicum annuum L.) without saponification. Among the 42 compounds detected, 4 non‐esterified, 11 mono‐ and 17 diesters were characterized based on their retention times, UV/Vis spectra and their fragmentation patterns in collision‐induced dissociation experiments in atmospheric pressure chemical ionization mass spectrometry (APCI‐MS). Positive and negative ion mode measurements were used for the characterization of major and minor carotenoids and their esters. Capsanthin esterified with lauric, palmitic and myristic acids represented the predominant compounds in the red pepper extracts. Additionally, three β‐cryptoxanthin and one zeaxanthin monoester were tentatively identified in red pepper pods for the first time. Furthermore, the specific fragmentation patterns of capsanthin‐laurate‐myristate and capsanthin‐myristate‐palmitate were used for the distinction of both regioisomers. The results obtained from LC‐DAD‐APCI‐MSn experiments demonstrated that the carotenoid profile of red pepper pods is considerably more complex than considered hitherto. Copyright © 2005 John Wiley & Sons, Ltd.
An evaluation of the performance of porous polymer monolith assisted electrospray
Authors: Lee Stephen Shu Hang , Douma Michelle , Koerner Terry , Oleschuk Richard D.
Published: August 2005

A novel electrospray interface, which has distinct advantages over conventional pulled silica emitters, has been developed. This novel interface can be easily fabricated by forming a porous polymer monolith (PPM) at the end of a fused‐silica capillary that facilitates a stable electrospray over a wide range of flow rates with only a modest increase in back‐pressure. A comparison was made between the PPM‐assisted electrospray and a commercial nanosprayer in terms of sensitivity, stability and robustness. A PPM‐filled electrospray tip produced a day‐to‐day signal variation of 23% relative standard deviation (RSD) over a 3‐day period when spraying a 1.0 µM test peptide solution. Furthermore, three different capillaries fabricated by the same process produced a signal variation of 17% RSD, indicating that the fabrication process shows good reproducibility. The multiple flow paths of the PPM function to split the flow and reduce clogging. Even following the accumulation of debris after prolonged use, a stable spray could still be generated with the PPM‐filled capillary while the commercial nanosprayer ceased to function properly. In terms of sensitivity, PPM‐assisted electrospray showed an enhancement in sensitivity at infusion flow rates between 100 to 1000 nL/min while commercial nanosprayers performed slightly better at flow rates below 100 nL/min. A sample purification step can be combined with the PPM‐assisted sprayer, using the PPM as a stationary phase to desalt and preconcentrate samples prior to mass spectrometric detection. Copyright © 2005 John Wiley & Sons, Ltd.
Accelerated throughput metabolic route screening in early drug discovery using high‐resolution liquid chromatography/quadrupole time‐of‐flight mass spectrometry and automated data analysis
Authors: Mortishire‐Smith Russell J. , O'Connor Desmond , Castro‐Perez Jose M. , Kirby Jane
Published: August 2005

The resource investment required to characterise the metabolic fate of a compound is relatively large, meaning that within a drug discovery environment relatively few compounds are characterised in depth. Rate‐limiting steps include the setting up of a complex array of mass spectrometry experiments and the subsequent analysis of the large data sets produced. We describe here a strategy for the evaluation of metabolic routes using full‐scan high‐resolution liquid chromatography/quadrupole time‐of‐flight mass spectrometry (LC/QToFMS) with automated data analysis using Metabolynx™, a commercially available software package. Data from several structurally diverse compounds taken from the literature illustrate that, with careful setting of key parameters, this approach is able to indicate the presence of a wide range of metabolites with only a limited requirement for manual intervention. Copyright © 2005 John Wiley & Sons, Ltd.
In vivo metabolism for the hydroxylation of FK778 to the metabolite M3 in humans studied by enantioselective liquid chromatography/tandem mass spectrometry
Authors: Chen Yu‐Luan , Akhtar Shahzad , Murai Hidetsugu , Kobayashi Masakazu
Published: August 2005

A major active metabolite of malononitrilamide FK778 (an immunosuppressant under development) is labeled M3. Due to a chiral center created during in vivo metabolism, the exploration of enantiomer profiles in clinical samples is critical to the characterization of the immunosuppressive activity of M3. An enantioselective liquid chromatography method with detection by tandem mass spectrometry (LC/MS/MS) was developed for the resolution of M3 enantiomers. It was experimentally confirmed that no interconversion between the two enantiomers occurred during sample preparation. This new approach was applied to measure the enantioselectivity of the M3 metabolite in human plasma samples from kidney transplanted patients. The assay results of 91 in vivo human samples from three subjects showed a ratio of 57:43 for the (−)‐enantiomer (the 2nd eluter) vs. the (+)‐enantiomer (1st eluter), indicating that the enantiometabolism of FK778 through human enzymes is essentially non‐specific. Copyright © 2005 John Wiley & Sons, Ltd.
Software process commonality analysis
Authors: Ocampo Alexis , Bella Fabio , Münch Jürgen
Published: August 2005

To remain viable and thrive, software organizations must rapidly adapt to frequent and, often, rather far‐ranging changes to their operational context. These changes typically concern many factors, including the nature of the organization's marketplace in general, its customers' demands, and its business needs. In today's most highly dynamic contexts, such as web services development, other changes create additional, severe challenges. Most critical are changes to the technology in which a software product is written or which the software product has to control or use to provide its functionality. These product‐support technology changes are frequently relatively ‘small’ and incremental. They are, therefore, often handled by relatively ‘small’, incremental changes to the organization's software processes. However, the frequency of these changes is high, and their impact is elevated by time‐to‐market and requirements change demands. The net result is an extremely challenging need to create and manage a large number of customized process variants, collectively having more commonalities than differences, and incorporating experience‐based, proven ‘best practices’. This paper describes a tool‐based approach to coping with product‐support technology changes. The approach utilizes established capabilities such as descriptive process modeling and the creation of reference models. It incorporates a new, innovative, tool‐based capability to analyze commonalities and differences among processes. The paper includes an example‐based evaluation of the approach in the domain of Wireless Internet Services as well as a discussion of its potentially broader application. Copyright © 2005 John Wiley & Sons, Ltd.
A study of open source software evolution data using qualitative simulation
Authors: Smith Neil , Capiluppi Andrea , Ramil Juan F.
Published: August 2005

Simulation modelling of growth trends and other empirical data from software systems can reveal the main drivers of software evolution and help improve understanding and management of the software evolution phenomenon. This article reports on the application of qualitative abstraction techniques to data from 25 open source software (OSS) systems. After justifying the use of qualitative simulation techniques for the software process domain, the article presents an analysis of the support from OSS‐derived data to previously developed qualitative simulation models, which were inspired by observations from the domain of proprietary systems. The analysis involved comparison of model output and qualitatively abstracted growth trends. The analysis also involved the comparison of the transitions in trends of functional size and complexity to those predicted by the models in a sub‐set of 21 systems for which complexity data was available. The results indicate that models are able to replicate some of the features in the data. This, in turn, suggests that the study of the relationship between size and complexity and its interaction via feedback loops has a role in explaining the long‐term evolutionary behaviour of OSS systems. This is not surprising since it is well known that the evolution of all type of real‐world software systems, proprietary and OSS, is driven by feedback from their stakeholders. Copyright © 2005 John Wiley & Sons, Ltd.
Managing the dynamics of mutual adaptation of technology and organisation in information systems development projects
Authors: Bygstad Bendik
Published: August 2005

This article explores a strategy of mutual adaptation between the information system and the business process, facilitated by the iterative and incremental mechanisms of modern SW engineering frameworks. The concept of mutual adaptation implies that the real innovation of an information systems project is not the software, but the working solution after implementation. Too little is known about this phenomenon: What are the dynamics of mutual adaptation? To what extent is it possible to control? Which organisational mechanisms facilitate it? Should planned mutual adaptation be part of an information systems development project, or is it outside the reasonable scope of such projects?

The article builds on a longitudinal case study from a large public auditing organisation that developed a new audit process in parallel with the construction of a new information system to support it. The project is described through seven iterations as it experiments with different organisational mechanisms to achieve mutual adaptation. The dynamics of mutual adaptation is described by a window of opportunity, where both the information system and the business process are malleable. Copyright © 2005 John Wiley & Sons, Ltd.
Intrauterine growth restriction and fetal body composition
Authors: Larciprete G. , Valensise H. , Di Pierro G. , Vasapollo B. , Casalino B. , Arduini D. , Jarvis S. , Cirese E.
Published: August 2005

Objective

To assess the differences in fetal body compartments between fetuses with normal growth and those with reduced intrauterine growth, during the third trimester, through ultrasonographic determination of subcutaneous tissue thickness (SCTT).

Methods

Twenty‐eight patients were enrolled into this case control study carried out at 30–31 weeks' gestation. Two study groups were matched for maternal age and pregestational body mass index: controls (n = 14) and intrauterine growth‐restricted (IUGR) fetuses (n = 14). Routine ultrasound‐derived biometric parameters (head circumference, abdominal circumference, femur length and humerus length) were measured. Additionally, the mid‐arm fat mass and lean mass (MAFM and MALM), the mid‐thigh fat mass and lean mass (MTFM and MTLM), the abdominal fat mass (AFM) and the subscapular fat mass (SSFM) were measured. The Mann–Whitney U‐test and Student's t‐test were used to compare the two groups.

Results

The abdominal circumference and the humerus were significantly smaller in IUGR fetuses than in controls. Most of the SCTT values were different in the two groups. The SSFM (3.6 ± 1.1 vs. 2.6 ± 0.7 mm; P = 0.011), the AFM (5.1 ± 0.7 vs. 4 ± 1 mm; P = 0.01), the MAFM (3.5 ± 0.9 vs. 2.2 ± 0.8 cm2; P < 0.01) and MALM (2.1 ± 0.4 vs. 1.7 ± 0.5 cm2; P = 0.029) were all significantly greater in fetuses with normal development compared to those with growth restriction.

Conclusions

During the third trimester, SCTT (with the exception of MTFM and MTLM) is reduced in fetuses with IUGR. Furthermore, MALM is lower in growth‐restricted fetuses, confirming that the parameters measured in this study are affected in IUGR fetuses. Our findings indicate that specific changes in fetal body compartments occur as a result of chronic metabolic impairment. Copyright © 2005 ISUOG. Published by John Wiley & Sons, Ltd.
Less input same output: simplified approach for population size assessment in Lepidoptera
Authors: Nowicki Piotr , Richter Anett , Glinka Uta , Holzschuh Andrea , Toelke Ulrike , Henle Klaus , Woyciechowski Michal , Settele Josef
Published: August 2005

With the aim of creating a simplified sampling scheme that would retain the accuracy of standard mark–release–recapture (MRR) sampling, but at a greatly reduced cost, we analysed 23 capture–recapture data sets from spatially closed populations of six Lepidoptera species according to the constrained Cormack–Jolly–Seber models. Subsequently the relationships between the estimates of population parameters were investigated in order to develop a regression equation that would enable us to calculate seasonal population size without sampling the population throughout the entire flight period. The proportion of individuals flying at peak population was highly variable (CV=0.39), but the variation decreased considerably (CV=0.14) after different life span and flight period length were accounted for. Over 90% of the variance of this proportion was explained by the life span:flight period length ratio. Simulations of hypothetical sampling schemes proved that schemes covering the second and third quarter of the flight period performed much better than those restricted to the second quarter only. The accuracy of seasonal population size estimated with the regression equation developed was comparable for intensive schemes (daily sampling) and non‐intensive ones (sampling once in 2 or 3 days). We propose a simplified method of surveying butterfly populations that should be based on checking the presence of flying adults at the beginning and end of the flight period to assess its length, and MRR sampling covering its middle part, with intervals between capture days corresponding to the average life span of investigated butterflies.
A novel 4.1 ezrin radixin moesin (FERM)‐containing protein, ‘Willin’
Authors: Gunn-Moore Frank J. , Welsh Gavin I. , Herron Lissa R. , Brannigan Frances , Venkateswarlu Kanamarlapudi , Gillespie Stewart , Brandwein-Gensler Margaret , Madan Rashna , Tavaré Jeremy M. , Brophy Peter J. , Prystowsky Michael B. , Guild Simon
Published: August 2005

The 4.1 superfamily of proteins contain a 4.1 Ezrin Radixin Moesin (FERM) domain and are described as linking the cytoskeleton with the plasma membrane. Here, we describe a new FERM domain‐containing protein called Willin. Willin has a recognizable FERM domain within its N‐terminus and is capable of binding phospholipids. Its intra‐cellular distribution can be cytoplasmic or at the plasma membrane where it can co‐localize with actin. However, the plasma membrane location of Willin is not influenced by cytochalasin D induced actin disruption but it is induced by the addition of epidermal growth factor.
Cholesterol‐depleting compounds modulate K+‐currents in Drosophila Kenyon cells
Authors: Gasque Gabriel , Labarca Pedro , Darszon Alberto
Published: August 2005

Sterol‐enriched lipid rafts have been involved in Drosophila membrane signalling such as Hedgehog targeting and glutamate receptor ligand‐affinity regulation. Here, we show that the voltage‐dependent K+ currents expressed by the intrinsic neurons of the Mushroom bodies are upward‐modulated by compounds that remove sterols from the plasma membrane. Modulation seems to rely on a fast‐exchanging sterol‐pool, which more strongly affects the slowly inactivating current. Our results provide the first evidence that sterols influence the operation of voltage‐gated ion channels in Drosophila neurons and strengthen the importance of lipid rafts in this biological model.
Dendritic cells do not transduce inflammatory stimuli via the capsaicin receptor TRPV1
Authors: O’Connell Peta J. , Pingle Sandeep C. , Ahern Gerard P.
Published: August 2005

Inflammatory stimuli provide critical activation signals for dendritic cells (DC). Signaling through the capsaicin receptor TRPV1 is reported to initiate DC maturation and migration. We attempted to characterize TRPV1 channels in DC. Capsaicin or extracellular protons failed to elicit a change in intracellular [Ca2+] or membrane current in DC. In contrast, capsaicin evoked a sustained increase in [Ca2+] and large inwards currents in sensory neurons and TRPV1‐expressing HEK293 cells. TRPV1 expression was confirmed by RT‐PCR in sensory neurons, but was undetectable in DC. Interestingly, and in contrast to capsaicin, the inflammatory neuropeptide substance P evoked Ca2+ transients in DC. Thus, our data do not support the hypothesis that DC express TRPV1 channels. Rather, signaling through TRPV1 in sensory nerves may modulate DC via neurogenic actions.
Presidential address Commemorating Darwin
Authors: BROWNE JANET
Published: August 2005

This text draws attention to former ideologies of the scientific hero in order to explore the leading features of Charles Darwin's fame, both during his lifetime and beyond. Emphasis is laid on the material record of celebrity, including popular mementoes, statues and visual images. Darwin's funeral in Westminster Abbey and the main commemorations and centenary celebrations, as well as the opening of Down House as a museum in 1929, are discussed and the changing agendas behind each event outlined. It is proposed that common-place assumptions about Darwin's commitment to evidence, his impartiality and hard work contributed substantially to his rise to celebrity in the emerging domain of professional science in Britain.
Designing (for) a new scientific discipline: the location and architecture of the Institut für Radiumforschung in early twentieth-century Vienna
Authors: RENTETZI MARIA
Published: August 2005

This essay explores how Viennese physicists who specialized in radioactivity research embodied visions of their new discipline in material terms, through the architectural design and the urban location of their institute. These visions concerned not only the experimental culture of radioactivity, or the interdisciplinarity of the field, but also the gendered experiences of those working in the institute's laboratories, many of who were women. In designing the Institute for Radium Research at the end of the 1910s – the first such specialized institute in Europe – physicists and architects were also designing the new discipline in a strong sense. In the architectural form of the building one can trace the aesthetics of the new discipline, the scientific exchanges of its personnel and the image of a newly formed community in which women were more than welcomed.
‘Like a baby with a box of matches’: British scientists and the concept of ‘race’ in the inter-war period
Authors: SCHAFFER GAVIN
Published: August 2005

Historians of science have often presented the inter-war period as a time when British scientific communities radically questioned existing scholarship on ‘race’. The ascendancy of genetics, and the perceived need to challenge Nazi ‘racial’ theory have been highlighted as pivotal issues in shaping this British revision of ‘racial’ ideas. This article offers a detailed analysis of British scientific thinking in the inter-war period. It questions whether historians have exaggerated or oversimplified the prevalence of anti-‘racial’ reform. It uses a wide range of scientific writings to consider issues of continuity and change in ‘racial’ thinking in mainstream British scientific communities. The article probes the relationship between science and politics, focusing on the extent to which ideological factors affected both the scientific agenda and conclusions as regards ‘racial’ issues. Far from dismissing the idea that events in the inter-war period triggered changes in the way in which British scientists dealt with ‘race’, the article argues that the seeds of the post-Second World War international scientific rejection of ‘race’ were sown in inter-war Britain amid considerable ambivalence and discord.

We must remember that the investigator, whether a biologist, an economist, or a sociologist, is himself a part of history, and that if he ever forgets he is a part of history he will deceive his audience and deceive himself.J. B. S. Haldane, Heredity and Politics, 1938
When things don't talk: knowledge and belief in the inter-war humanism of Charles Singer (1876–1960)
Authors: MAYER ANNA-K.
Published: August 2005

The science historian Charles Singer might seem to have shared with positivists a widely held commitment to observation as the foundation of knowledge. Yet in fact Singer's historiography was peculiarly unconcerned with instruments, models and other artefacts. Such tools might have been expected to present crucial empirical evidence for the historical arguments and ideal material for the didactics which pioneers such as Singer associated with their mission of a ‘scientific humanism’. In their hands, physical things did not translate into epistemic things. This was deliberate. Yet while the configuration of science history which would distance it from material objects seems to speak of a shift from the visual to texts, the ocular technologies deployed in Singer's histories rather point to a co-existence of different kinds of visuality in that period's scholarship. As the academic and the museological aspects of science history pulled apart, the visuality of the museum came to be complemented by texts that vitally relied on images. The function of such images was to create proximity with the cognitive desires around whose traffic these histories became paper theatres of knowing. In bypassing material theatres and crafting realities that he understood to be empirically undemonstrable, Singer purposefully developed a non-authoritarian approach to the legacy of the scientific enterprise. He presented the story of understanding nature not as entailing obedience to its established results, but instead as embodying an attitude of continuing enquiry.
Mood- and restraint-based antecedents to binge episodes in bulimia nervosa: possible influences of the serotonin system
Authors: STEIGER HOWARD , GAUVIN LISE , ENGELBERG MARLA J. , YING KIN N. M. K. NG , ISRAEL MIMI , WONDERLICH STEPHEN A. , RICHARDSON JODIE
Published: August 2005

Background. In bulimic syndromes, binge episodes are thought to be caused by dietary restraint and negative moods. However, as central serotonin (5-hydroxytryptamine: 5-HT) mechanisms regulate appetite and mood, the 5-HT system could be implicated in diet- and mood-based binge antecedents.

Method. We used hand-held computers to obtain repeated ‘online’ measurements of eating behaviors, moods, and self-concepts in 21 women with bulimic syndromes, and modeled 5-HT system activity with a measure of platelet [3H]paroxetine-binding density.

Results. Mood and self-concept ratings were found to be worse before binge episodes (than at other moments), and cognitive restraint was increased. After binges, mood and self-concept deteriorated further, and thoughts of dieting became more intense. Intriguingly, lower paroxetine-binding density predicted poorer mood and self-concept before a binge, larger post-binge decrements in mood and self-concept, and larger post-binge increases in dietary restraint.

Conclusions. Paroxetine binding thus seemed to reflect processes that impacted upon mood-related antecedents to binge episodes, and consequences implicating mood and dietary restraint.
Role of cofactors in metalloprotein folding
Authors: Wilson Corey J. , Apiyo David , Wittung-Stafshede Pernilla
Published: August 2005

Metals are commonly found as natural constituents of proteins. Since many such metals can interact specifically with their corresponding unfolded proteins in vitro, cofactor-binding prior to polypeptide folding may be a biological path to active metalloproteins. By interacting with the unfolded polypeptide, the metal may create local structure that initiates and directs the polypeptide-folding process. Here, we review recent literature that addresses the involvement of metals in protein-folding reactions in vitro. To date, the best characterized systems are simple one such as blue-copper proteins, heme-binding proteins, iron-sulfur-cluster proteins and synthetic metallopeptides. Taken together, the available data demonstrates that metals can play diverse roles: it is clear that many cofactors bind before polypeptide folding and influence the reaction; yet, some do not bind until a well-structured active site is formed. The significance of characterizing the effects of metals on protein conformational changes is underscored by the many human diseases that are directly linked to anomalous protein–metal interactions.
Introduction
Authors: MITTELSTRASS JÜRGEN
Published: August 2005

These papers resulted from the first workshop in a series exploring concepts that are of central importance to all of the sciences. The series will bring together the perspectives of natural and social sciences and the humanities in intimate, cross-disciplinary dialogue. The intention is to improve our understanding of the concepts discussed by emphasizing their different uses in the many different disciplines, while at the same time focusing on shared concerns and structural commonalities. And this is the peculiarity of the concepts to be examined here – they do not get defined in just one discipline, so that they only form part of the basic concepts of that discipline, as distinguished from the basic concepts of other disciplines. Rather, their unique character derives from the fact that they have different uses in different disciplines, and all of them in the foundations of the respective sciences. The concepts of natural law, causality, of complexity and truth, scientific truth, are of this kind, and so is the concept of symmetry, with which we will start this series.

As we all know, this concept has many different (scientific) meanings, while the basic meaning remains stable. In geometry, for instance, mirroring, rotation and periodicity prove to be symmetry-properties, that is, self-copies (automorphisms) of spaces, which leave the structure of figures and bodies unchanged (invariant). In natural philosophy, symmetry is the property of natural objects to remain invariant under certain operations, namely symmetry-operations. In logic, a two-place relation R is symmetric on a set S, if for any two elements x and y from that set, the following is the case: if the relation R holds between x and y, then it also holds between y and x.