bluuebunny/crossref_metadata_2025 huggingface dataset:
Participation of the subthalamic nucleus in executive functions: An intracerebral recording study
Authors: Baláž Marek , Rektor Ivan , Pulkrábek Jiří
Published: December 2007

The objective of our work was to find whether the subthalamic nucleus (STN) is directly involved in cognitive activities, specifically in executive functions. Ten patients with idiopathic Parkinson's disease had P3 potentials recorded by externalized deep brain electrodes that were implanted in the STN or in its immediate vicinity. Two contacts of each electrode were positioned inside the STN according to clinical effect, perioperative microrecording, and stimulation. The P3 waves were recorded following the auditory stimulus in a standard oddball paradigm. They were compared with the P3 waves elicited from a protocol modified by a dual task with an increased demand on executive functions. The P3 potentials with a steep amplitude gradient evoked by the modified protocol were detected by the contacts in 8 of the 14 available electrodes, located either inside the STN or in its immediate vicinity. The modified protocol led to an increased latency of the P3 potential in 8 of 14 electrodes. No local field potentials of the standard P3 potentials were recorded. The P3 potentials related to the increased demand on executive functions were detected by the STN contacts known to have the best effect on Parkinsonian motor signs. This could suggest that the STN takes part in the executive function processing. © 2007 Movement Disorder Society
Validity of spiral analysis in early Parkinson's disease
Authors: Saunders‐Pullman Rachel , Derby Carol , Stanley Kaili , Floyd Alicia , Bressman Susan , Lipton Richard B. , Deligtisch Amanda , Severt Lawrence , Yu Qiping , Kurtis Mónica , Pullman Seth L.
Published: December 2007

Spiral analysis is an objective, easy to administer noninvasive test that has been proposed to measure motor dysfunction in Parkinson disease (PD). We compared overall Unified Parkinson Disease Rating Scale Part III scores to selected indices derived from spiral analysis in seventy‐four patients with early PD (mean duration of disease 2.4 ± 1.7 years, mean age 61.5 ± 9.7 years). Of the spiral indices, degree of severity, first order zero crossing, second order smoothness, and mean speed were best correlated with total motor Unified Parkinson's Disease Rating Scale (UPDRS) score (all P < 0.01), and these indices showed a gradient across worsening tertiles of UPDRS (P < 0.05). Spiral indices also correlated with UPDRS ratings for the worst side and worst arm scores as well. The domains of bradykinesia, rigidity, and action tremor were correlated with first order crossing, second order smoothness, and mean speed, where as rest tremor was most highly correlated with degree of severity. This suggests that the spiral analysis may supplement motor assessment in PD, although further analysis of spiral metrics, a larger sample and longitudinal data should be evaluated. © 2007 Movement Disorder Society
A search game taking account of attributes of searching resources
Authors: Hohzaki Ryusuke
Published: December 2007

This article deals with a two‐person zero‐sum game called a search allocation game (SAG), in which a searcher and a target participate as players. The searcher distributes his searching resources in a search space to detect the target. The effect of resources lasts a certain period of time and extends to some areas at a distance from the resources' dropped points. On the other hand, the target moves around in the search space to evade the searcher. In the history of search games, there has been little research covering the durability and reachability of searching resources. This article proposes two linear programming formulations to solve the SAG with durable and reachable resources, and at the same time provide an optimal strategy of distributing searching resources for the searcher and an optimal moving strategy for the target. Using examples, we will analyze the influences of two attributes of resources on optimal strategies. © 2007 Wiley Periodicals, Inc. Naval Research Logistics 2008
Bilinear finite elements for shells: Isoparametric quadrilaterals
Authors: Niemi Antti H. , Pitkäranta Juhani
Published: December 2007

We study the accuracy and reliability of the lowest‐order bilinear shell finite element schemes. Our approach is based mainly on a simplified shallow shell model analogous to the Reissner–Mindlin model of plate bending. The numerical models are constructed by modifying the strain expressions within the usual energy principle so that error analysis in the energy norm framework is possible. Our theoretical predictions supported by numerical experiments indicate that the performance of the low‐order methods is both mesh and case dependent. Copyright © 2007 John Wiley & Sons, Ltd.
The enriched space–time finite element method (EST) for simultaneous solution of fluid–structure interaction
Authors: Zilian A. , Legay A.
Published: December 2007

The paper introduces a weighted residual‐based approach for the numerical investigation of the interaction of fluid flow and thin flexible structures. The presented method enables one to treat strongly coupled systems involving large structural motion and deformation of multiple‐flow‐immersed solid objects.

The fluid flow is described by the incompressible Navier–Stokes equations. The current configuration of the thin structure of linear elastic material with non‐linear kinematics is mapped to the flow using the zero iso‐contour of an updated level set function. The formulation of fluid, structure and coupling conditions uniformly uses velocities as unknowns. The integration of the weak form is performed on a space–time finite element discretization of the domain. Interfacial constraints of the multi‐field problem are ensured by distributed Lagrange multipliers. The proposed formulation and discretization techniques lead to a monolithic algebraic system, well suited for strongly coupled fluid–structure systems. Embedding a thin structure into a flow results in non‐smooth fields for the fluid. Based on the concept of the extended finite element method, the space–time approximations of fluid pressure and velocity are properly enriched to capture weakly and strongly discontinuous solutions. This leads to the present enriched space–time (EST) method. Numerical examples of fluid–structure interaction show the eligibility of the developed numerical approach in order to describe the behavior of such coupled systems. The test cases demonstrate the application of the proposed technique to problems where mesh moving strategies often fail. Copyright © 2007 John Wiley & Sons, Ltd.
Effect of molecular weight and degree of deacetylation on controlled release of isoniazid from chitosan microspheres
Authors: Gupta K. C. , Jabrail F. H.
Published: December 2007

Glutaraldehyde cross‐linked chitosan microspheres for controlled release of isoniazid were prepared using chitosan of different molecular weights (MWs) and degrees of deacetylation (DDAs). Chitosan microspheres were characterized for their size, hydrophobocity, degree of swelling and loading of isoniazid. Hydrophobicity of chitosan microspheres increased on increasing the degree of cross‐linking and MW of chitosan. Chitosan microspheres with high degree of deacetylation (DDA) (75 wt%), high MW chitosan (2227 kg mol−1), and with 12 wt% concentration of glutaraldehyde showed optimum loading and release of isoniazid. The isoniazid from chitosan microspheres was released in two steps, i.e. burst (%RB) and controlled (%RC) steps. The microspheres with low MW chitosan (260 kg mol−1) and low DDA (48 wt%) showed prominent burst release of isoniazid, but microspheres with high MW chitosan (2227 kg mol−1) and high DDA (75 wt%) have released more isoniazid in a controlled manner (60 wt%) at 37°C in a solution of pH 5.0 ± 0.1. The burst step of drug release (%RB) has followed first order kinetics, whereas controlled step of drug release (%RC) followed zero order kinetics. The burst step of drug release was Fickian and controlled step was non‐Fickian in nature. The diffusion constant (D) for isoniazid release was influenced by the properties of chitosan and degree of cross‐linking. Copyright © 2007 John Wiley & Sons, Ltd.
Ceric Ammonium Nitrate Initiated Grafting of PEG to Plasma Polymers for Cell‐Resistant Surfaces
Authors: Vickers Naomi J. , McArthur Sally L. , Shard Alex G. , MacNeil Sheila
Published: December 2007

The development of a facile method with general applicability and mild reaction conditions for grafting PEG onto surfaces to reduce bio‐adhesion is described. The approach taken was to use CAN to graft PEG to plasma polymers coatings selected to give a high concentration of alcohol groups. The study showed that grafting required functional groups on surfaces, a minimum concentration of CAN initiator (0.05 M) and was time and initiator concentration dependent. Adhesion of fibroblasts and endothelial cells was reduced to negligible levels compared to the adhesion to tissue culture polystyrene and untreated plasma polymers of allyl alcohol following CAN induced PEG grafting.

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Fluorine‐Based Plasma Treatment of Biocompatible Silicone Elastomer: The Effect of Temperature on Etch Rate and Surface Properties
Authors: Szmigiel Dariusz , Hibert Cyrille , Bertsch Arnaud , Pamuła Elżbieta , Domański Krzysztof , Grabiec Piotr , Prokaryn Piotr , Ścisłowska‐Czarnecka Anna , Płytycz Barbara
Published: December 2007

This paper describes F‐based dry etching and resulting surface properties of biocompatible silicone elastomer. The etch rate of polysiloxane and surface morphology was found to be highly temperature dependent. An increase in temperature results in a significantly higher etch rate and a lower surface roughness. Possible mechanisms of the etching process and the roughness formation on an elastomer surface are discussed. The polysiloxane surface was proved to have hydrophobic characteristics both prior to and after plasma exposure. The results of the preliminary cytotoxicity study are very promising: cell viability on a raw and plasma treated polysiloxane was found to be very high and comparable to control. Due to the acceptable etch rate and absence of toxic contaminations, a F‐containing plasma is considered an excellent method for microprocessing of silicone elastomers intended for biomedical applications.

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Towards a comprehensive proteome of normal and malignant human colon tissue by 2‐D‐LC‐ESI‐MS and 2‐DE proteomics and identification of S100A12 as potential cancer biomarker
Authors: Thierolf Michael , Hagmann Marie‐Luise , Pfeffer Michael , Berntenis Nikolaos , Wild Norbert , Roeßler Markus , Palme Stefan , Karl Johann , Bodenmüller Heinz , Rüschoff Josef , Rossol Siegbert , Rohr Gerhard , Rösch Wolfgang , Friess Helmut , Eickhoff Axel , Jauch Karl‐Walter , Langen Hanno , Zolg Werner , Tacke Michael
Published: December 2007

The aim of this study was to characterize the proteome of normal and malignant colonic tissue. We previously studied the colon proteome using 2‐DE and MALDI‐MS and identified 734 proteins (Roeßler, M., Rollinger, W., Palme S., Hagmann, M.‐L., et al.., Clin. Cancer Res. 2005, 11, 6550–6557). Here we report the identification of additional colon proteins from the same set of tissue samples using a complementary nano‐flow 2‐D‐LC‐ESI‐MS. In total, 484 proteins were identified in colon. Of these, 252 had also been identified by the 2‐DE/MALDI‐MS approach, whereas 232 proteins were unique to the 2‐D‐LC‐ESI‐MS analysis. Comparing protein expression in neoplastic and normal colon tissue indicated elevated expression of several proteins in colorectal cancer, among them the well established tumor marker carcinoembryonic antigen, as well as calnexin, 40S ribosomal protein S15a, serpin H1, and S100A12. Overexpression of these proteins was confirmed by immunoblotting. Serum levels of S100A12 were determined by ELISA and were found to be strongly elevated in colorectal cancer patients compared to healthy individuals. We conclude, that 2‐D‐LC‐ESI‐MS is a powerful approach to identify and compare protein profiles of tissue samples, that it is complementary to 2‐DE/MALDI‐MS approaches and has the potential to identify novel biomarkers.
Identification of circulating endorepellin LG3 fragment: Potential use as a serological biomarker for breast cancer
Authors: Chang Jong Wook , Kang Un‐Beom , Kim Dong Hyun , Yi Jae Kyo , Lee Jong Won , Noh Dong‐Young , Lee Cheolju , Yu Myeong‐Hee
Published: December 2007

Comparative proteome analysis was performed on the cultured media of human nontumor and malignant breast cell lines, Hs578Bst and Hs578T, respectively, in search of a serological biomarker(s) for breast cancer. Proteins in the conditioned media were separated by 2‐D PAGE and then visualized by silver‐staining. Eight proteins changed differentially by more than two‐fold were identified by MALDI‐TOF/TOF MS. Among the proteins identified, the terminal laminin‐like globular (LG3) domain of endorepellin, which was recently reported as an antiangiogenesis factor, was decreased in the cancer cell line. We confirmed the bone morphogenic protein‐1 (BMP‐1) mediated cleavage site on the N‐terminus of endorepellin LG3 fragment. This finding suggests that the LG3 fragment is specifically released by a BMP‐1 driven limited proteolytic process. The protein was also detected in plasma by Western blot analysis and selected reaction monitoring (SRM). The plasma level of the endorepellin LG3 fragment was significantly lower in breast cancer patients compared to healthy donors (p = 0.017; n = 12). The LG3 protein concentration in the control plasma was measured at approximately 3.7 pmol/mL compared to 1.8 pmol/mL in plasma from the cancer patients. We suggest that these results support the potential use of the endorepellin LG3 fragment as a new serological biomarker for breast cancer.
Secretome analysis of novel IgE‐binding proteins from Penicillium citrinum
Authors: Chiu Li‐Li , Lee Kuang‐Lun , Lin Yu‐Fen , Chu Chia‐Yu , Su Son‐Nan , Chow Lu‐Ping
Published: December 2007

The Penicillium genus of fungi is a frequently reported cause of allergic reactions. However, only a limited number of allergens have been reported. In Penicillium spp., many allergens show higher IgE‐binding activity in culture filtrate extracts than in cellular extracts. In order to investigate the IgE‐reactive profile of mold‐sensitized patients, secreted IgE‐reactive proteins from Penicillium citrinum were identified by 2‐DE, serum immunoblotting, and nanoLC‐MS/MS. Among the IgE‐reactive spots, one known allergen, Pen c 13, and four novel allergens were identified. The cDNAs coding for Pen c 32 and Pen c 30 were cloned using designed primers based on nanoLC‐MS/MS analysis. The amino acid sequences of Pen c 32 and Pen c 30 were, respectively, found to have extensive similarity with those of pectate lyases and catalases from various fungi. Native Pen c 30 was shown to have catalase activity and to bind to serum IgE from 48% of mold‐allergic patients and induced immediate type skin reactions in a sensitized patient. Here, we present a proteome approach which resulted in the identification of four novel secreted allergens. These novel allergens might be useful in allergy diagnosis and in the treatment of mold‐allergic disorders.
Stable and unstable angina: Identifying novel markers on circulating leukocytes
Authors: Brown Angus , Lattimore Jo‐Dee , McGrady Michele , Sullivan David , Dyer Wayne , Braet Filip , dos Remedios Cristobal
Published: December 2007

There is currently no blood‐based test that can rapidly and objectively distinguish between chest pain which is initiated by increased myocardial oxygen demand (stable angina pectoris (SAP)) and chest pain initiated due to decreased coronary blood flow (unstable angina pectoris (UAP)). Since leukocytes play an active role in the progression of coronary artery disease (CAD), we hypothesize these can provide novel markers of SAP and UAP. Here we use a microarray of 82 cluster of differentiation (CD) antibodies (plus controls) to selectively immobilize peripheral blood mononuclear cells. We find that the pattern of leukocyte immobilization from patients with CAD significantly differs from healthy donors. Within the CAD group, 15 SAP patients exhibited significant (p<0.05) changes in 8 of 82 CD antibody spots compared to 19 age‐matched healthy blood donors. An additional ten CD antigens differed between healthy donors and patients with UAP (p<0.05). Furthermore, seven CD antibody spots are significantly different between SAP and UAP patients. These preliminary data suggest it is now appropriate to undertake a larger clinical trial to test the hypothesis that these antibody microarrays can monitor the progression from SAP to UAP.
Breast Cancer and Proteomics: The inaugural Mammary Gland Proteome Initiative (MGPI) workshop 12–13 July 2007, Cambridge, UK
Authors: Souchelnytskyi Serhiy , Alldridge Louise
Published: December 2007

Breast cancer proteomics has progressed to a level where further development requires the coordination and cooperation of research strategies and resources. The Mammary Gland Proteome Initiative (MGPI) aims to provide a platform to promote such a coordination of comprehensive studies of mammary glands in health and disease. An inaugural MGPI workshop, Breast Cancer and Proteomics, was held in Cambridge, UK in July 2007. The workshop outlined the development of the MGPI, with emphasis on four specific programs: (i) breast cancer, (ii) standardisation, deposition and processing of data, (iii) technology and (iv) logistics.
Theoretical Analysis of Plasma Enhancement of Propellant Burning Rate
Authors: Alimi Roger , Berdichevsky Vadim
Published: December 2007

A theoretical model of the combustion of a nitramine solid propellant in the presence of a plasma jet is proposed. Unlike standard double‐base compositions, nitramine propellants exhibit experimental evidence that plasma induces a burning rate enhancement. The model is based on heat transfer considerations and proposes a closed‐form solution of the enhancement of the propellant burning rate as a function of the thermophysical parameters of the system. The model provides a good qualitative agreement with experimental results.
Sb6O13 and Bi2O3 as Oxidants for Si in Pyrotechnic Time Delay Compositions
Authors: Kalombo Lonji , Del Fabbro Olinto , Conradie Corrie , Focke Walter W.
Published: December 2007

Lead and its compounds in detonator time delays are being phased out owing to environmental and health concerns. It was found that changing from the conventional rolled lead elements to rigid aluminium tubes caused a significant decrease in the burn rate. It also impaired ignitability, especially of slow burning compositions such as SiBaSO4. Consequently, potential alternatives for the latter and also the fast burning SiPb3O4 system were sought. Bi2O3, prepared by thermal decomposition of bismuth subcarbonate, gave fast burning compositions with silicon as fuel (155 mm s−1 with 20% Si). This system was ignitable by the spit of a shock tube. The SiSb6O13 system required an initiating composition and yielded slow burning compositions. The lowest sustainable and reproducible burn rate in lead tubes, in the absence of additives, was 4.8 mm s−1. In lead tubes, it was possible to reduce the burn rate further by adding fumed silica: A composition obtained by adding 10% fumed silica (add‐on basis) to a 10% Si–90% Sb6O13 composition still burned reliably at a burn rate of 2.3 mm s−1.
The Use of Inverse Gas Chromatography (IGC) to Determine the Surface Energy of RDX
Authors: Luo Yunjun , Du Meina
Published: December 2007

The surface properties of RDX play an important role in enhancing mechanics performances of the propellants and explosives. In this work, thereby, inverse gas chromatography (IGC) using various probe liquids as the medium was used to determine the surface energy components of RDX containing both dispersive and polar components, which were acquired respectively from neutral probe liquids (such as n‐hexane, n‐heptane, n‐octane) and polar probe liquids (such as chloroform, benzene, methanol). The results show that RDX located in different column temperatures has difference in the surface energy and possesses more surface energy when there is high temperature. The calculated formula of the total surface energy with temperature is: $\rm{ {\rm{\gamma }}_{\rm{s}}^{\rm{T}} {\rm{ = }} - {\rm{82}}{\rm{.16}} + }$ $\rm{{\rm{0}}{\rm{.3557}}T}$, and it is also found that dispersive, polar, electron acceptor, and electron donor components of RDX are $\rm{{\rm{\gamma }}_{\rm{s}}^{{\rm{LW}}} {\rm{ = }} - {\rm{53}}{\rm{.29}} + {\rm{0}}{\rm{.2560}}T}$, $\rm{ {\rm{\gamma }}_{\rm{s}}^{{\rm{AB}}} {\rm{ = }} - {\rm{28}}{\rm{.57}} + {\rm{0}}{\rm{.09889}}T}$, $\rm{ {\rm{\gamma }}_{\rm{s}}^{\rm{ + }} {\rm{ = }} - {\rm{25}}{\rm{.82}} }$ $\rm{+ {\rm{0}}{\rm{.08943}}T}$, and $\rm{ {\rm{\gamma }}_{\rm{s}}^ - {\rm{ = }} }$ $\rm{- {\rm{7}}{\rm{.932}} + {\rm{0}}{\rm{.02743}}T}$, respectively. These results demonstrate that the dispersive component is the primary part of the total surface energy, and RDX has an acid performance.
Shear Initiation of Al/MoO3‐Based Reactive Materials
Authors: Bouma Richard H. B. , Meuken Denise , Verbeek Ries , Martinez Pacheco Maria , Katgerman Laurens
Published: December 2007

Reactive mixtures based on nano aluminium and nano‐ or micron size molybdenum trioxide have been pressed. These energetic mixtures have been tested in the Ballistic Impact Chamber and as an energetic projectile impacting a steel plate. Al/MoO3‐based reactive mixtures can be initiated by a controlled mechanical stimulus. The sensitivity depends on deformation velocity, pressing density, addition of fluorine containing binder and particle size. Nanometric mixtures of Al and MoO3 have a shorter time to reaction compared to the corresponding mixtures with micron size MoO3. The sensitivity decreases with increase in porosity. No influence of fuel/oxidizer ratio has been found in the experiments. An extensive deformation is needed before the start of reaction is observed. An analytical evaluation of shear rate cannot be applied as a detailed numerical simulation of the deformation process in PBXN‐109 shows.
An Investigation on Thermal Decomposition of DNTF‐CMDB Propellants
Authors: Zheng Wei , Wang Jiangning , Ren Xiaoning , Zhang Laying , Zhou Yanshui
Published: December 2007

The thermal decomposition of DNTF‐CMDB propellants was investigated by pressure differential scanning calorimetry (PDSC) and thermogravimetry (TG). The results show that there is only one decomposition peak on DSC curves, because the decomposition peak of DNTF cannot be separated from that of the NC/NG binder. The decomposition of DNTF can be obviously accelerated by the decomposition products of the NC/NG binder. The kinetic parameters of thermal decompositions for four DNTF‐CMDB propellants at 6 MPa were obtained by the Kissinger method. It is found that the reaction rate decreases with increasing content of DNTF.
γ‐FOX‐7: Structure of a High Energy Density Material Immediately Prior to Decomposition
Authors: Crawford Margaret‐Jane , Evers Jürgen , Göbel Michael , Klapötke Thomas M. , Mayer Peter , Oehlinger Gilbert , Welch Jan M.
Published: December 2007

1,1‐Diamino‐2,2‐dinitroethene, C2H4N4O4 (FOX‐7), is a novel high energy density material with low friction and impact sensitivity and a high activation barrier to detonation. In this study, the previously unknown crystal structure of the γ‐polymorph of trimorphic FOX‐7 is reported. γ‐FOX‐7 is stable from ∼435 K until the compound decomposes just above 504 K. A single crystal of α‐FOX‐7 (P21/n, Z=4, a=694.67(7) pm, b=668.87(9) pm, c=1135.1(1) pm, β=90.14(1)°, T=373 K) was first transformed into a single crystal of β‐FOX‐7 (P212121, Z=4, a=698.6(1) pm, b=668.6(2) pm, c=1168.7(3) pm, T=423 K) and then into a single crystal of γ‐FOX‐7 at 450 K. The γ‐FOX‐7 crystal was then subsequently quenched to 200 K. The structure of γ‐FOX‐7 (P21/n, Z=8, a=1335.4(3) pm, b=689.5(1) pm, c=1205.0(2) pm, β=111.102(8)°, T=200 K) consists of four planar layers, each containing two crystallographically independent FOX‐7 molecules found in the asymmetric unit.
Development of Nanothermite Composites with Variable Electrostatic Discharge Ignition Thresholds
Authors: Foley Timothy , Pacheco Adam , Malchi Jonathan , Yetter Richard , Higa Kelvin
Published: December 2007

A brief description of an apparatus for testing the electrostatic discharge ignition threshold for sensitive materials is presented. This apparatus was used to demonstrate how fluorocarbons could alter the propensity of a nanothermite to ignite. In addition to these findings, the effect of the fluorocarbon on the pressure output of the material is reported.
Tilted peptides: a structural motif involved in protein membrane insertion?
Authors: Lins L. , Brasseur R.
Published: December 2007

Tilted peptides are short hydrophobic protein fragments characterized by an asymmetric distribution of their hydrophobic residues when helical. They are able to interact with a hydrophobic/hydrophilic interface (such as a lipid membrane) and to destabilize the organized system into which they insert. They were detected in viral fusion proteins and in proteins involved in different biological processes involving membrane insertion or translocation of the protein in which they are found. In this paper, we have analysed different protein domains related to membrane insertion with regard to their tilted properties. They are the N‐terminal signal peptide of the filamentous haemagglutinin (FHA), a Bordetella pertussis protein secreted in high amount and the hydrophobic domain from proteins forming pores (i.e. ColIa, Bax and Bcl‐2). From the predictions and the experimental approaches, we suggest that tilted peptides found in those proteins could have a more general role in the mechanism of insertion/translocation of proteins into/across membranes. For the signal sequences, they could help the protein machinery involved in protein secretion to be more active. In the case of toroidal pore formation, they could disturb the lipids, facilitating the insertion of the other more hydrophilic helices. Copyright © 2007 European Peptide Society and John Wiley & Sons, Ltd.
T‐20 and T‐1249 HIV fusion inhibitors' structure and conformation in solution: a molecular dynamics study
Authors: Martins Do Canto António M. T. , Palace Carvalho A. J. , Prates Ramalho J. P. , Loura Luís M. S.
Published: December 2007

Fusion of the HIV envelope with the target cell membrane is a critical step of the HIV entry into the target cell. Several peptides based on the C‐region of HIV gp41 have been used in clinical trials as possible HIV fusion inhibitors. Among these are T‐1249 and T‐20 (also known as enfurvitide). Despite recent works, a detailed molecular picture of the inhibitory mechanism of these molecules is still lacking. These peptides are usually depicted as α‐helices by analogy with the structure of the sequence of the gp41 protein with which they are homologous. However, structures like these would be highly unstable in solution and thus would not explain, by themselves, the ability that the two fusion inhibitors have to become solvated by water and also interact effectively with cell membranes. To this effect, extensive molecular dynamics simulations were carried out to investigate the structure and conformational behavior of T‐1249 and T‐20 in water, as well as shorter homologous peptides CTP and 3f5, which show no inhibitory action. We found that the studied inhibitors have no stable structure in solution in the time scale studied. Additionally, the solvent accessible area varies significantly during the simulation. Our findings suggest that these peptides may assume not only one, but several possible sets of structures in solution, some of which more adequate to interact with the solvent, whereas others might be better suited to interact with cell membranes. Interestingly, and in accordance with published experimental studies, we verified that T‐1249 displays considerably larger α‐helical structure than T‐20. Taking into account a recent study with design peptides with increased helicity, it is possible that this feature may be related to the increased inhibiting efficiency of T‐1249 relative to that of T‐20. Copyright © 2007 European Peptide Society and John Wiley & Sons, Ltd.
Coupling desorption electrospray ionisation and neutral desorption/extractive electrospray ionisation with a travelling‐wave based ion mobility mass spectrometer for the analysis of drugs
Authors: Williams Jonathan P. , Scrivens James H.
Published: December 2007

Desorption electrospray ionisation (DESI) and neutral desorption/extractive electrospray ionisation (EESI) have been coupled to a hybrid quadrupole travelling‐wave (T‐Wave)‐based ion mobility time‐of‐flight mass spectrometer for the direct accurate mass analysis of active ingredients formulated into pharmaceutical samples. The collision cross‐section measurements of polyethylene glycol (PEG) excipients detected in one formulation were estimated and compared with published data. These estimated collision cross‐sections of the PEG species showed good agreement with published data. Copyright © 2007 John Wiley & Sons, Ltd.
Combining data from multiple sources, with applications to environmental risk assessment
Authors: Ryan Louise
Published: December 2007

The classical statistical paradigm emphasizes the development and application of methods to account for sampling variability. Many modern day applications, however, require consideration of other sources of uncertainty that are not so easy to quantify. This paper presents a case study involving an assessment of the impact of in‐utero methylmercury exposure on the Intelligence Quotient (IQ) of young children. We illustrate how familiar techniques such as hierarchical modeling, Bayesian methods and sensitivity analysis can be used to aid decision making in settings that involve substantial uncertainty. Copyright © 2007 John Wiley & Sons, Ltd.
Latent transition analysis: Inference and estimation
Authors: Chung Hwan , Lanza Stephanie T. , Loken Eric
Published: December 2007

Parameters for latent transition analysis (LTA) are easily estimated by maximum likelihood (ML) or Bayesian methodviaMarkov chain Monte Carlo (MCMC). However, unusual features in the likelihood can cause difficulties in ML and Bayesian inference and estimation, especially with small samples. In this study we explore several problems in drawing inference for LTA in the context of a simulation study and a substance use example. We argue that when conventional ML and Bayesian estimates behave erratically, problems often may be alleviated with a small amount of prior input for LTA with small samples. This paper proposes a dynamic data‐dependent prior for LTA with small samples and compares the performance of the estimation methods with the proposed prior in drawing inference. Copyright © 2007 John Wiley & Sons, Ltd.
Bayesian sample size for exploratory clinical trials incorporating historical data
Authors: Whitehead John , Valdés‐Márquez Elsa , Johnson Patrick , Graham Gordon
Published: December 2007

This paper presents a simple Bayesian approach to sample size determination in clinical trials. It is required that the trial should be large enough to ensure that the data collected will provide convincing evidence either that an experimental treatment is better than a control or that it fails to improve upon control by some clinically relevant difference. The method resembles standard frequentist formulations of the problem, and indeed in certain circumstances involving ‘non‐informative’ prior information it leads to identical answers. In particular, unlike many Bayesian approaches to sample size determination, use is made of an alternative hypothesis that an experimental treatment is better than a control treatment by some specified magnitude. The approach is introduced in the context of testing whether a single stream of binary observations are consistent with a given success rate p0. Next the case of comparing two independent streams of normally distributed responses is considered, first under the assumption that their common variance is known and then for unknown variance. Finally, the more general situation in which a large sample is to be collected and analysed according to the asymptotic properties of the score statistic is explored. Copyright © 2007 John Wiley & Sons, Ltd.
The impact of a misspecified random‐effects distribution on the estimation and the performance of inferential procedures in generalized linear mixed models
Authors: Litière S. , Alonso A. , Molenberghs G.
Published: December 2007

Estimation in generalized linear mixed models (GLMMs) is often based on maximum likelihood theory, assuming that the underlying probability model is correctly specified. However, the validity of this assumption is sometimes difficult to verify. In this paper we study, through simulations, the impact of misspecifying the random‐effects distribution on the estimation and hypothesis testing in GLMMs. It is shown that the maximum likelihood estimators are inconsistent in the presence of misspecification. The bias induced in the mean‐structure parameters is generally small, as far as the variability of the underlying random‐effects distribution is small as well. However, the estimates of this variability are always severely biased. Given that the variance components are the only tool to study the variability of the true distribution, it is difficult to assess whether problems in the estimation of the mean structure occur. The type I error rate and the power of the commonly used inferential procedures are also severely affected. The situation is aggravated if more than one random effect is included in the model. Further, we propose to deal with possible misspecification by way of sensitivity analysis, considering several random‐effects distributions. All the results are illustrated using data from a clinical trial in schizophrenia. Copyright © 2007 John Wiley & Sons, Ltd.
Flavins as organocatalysts for environmentally benign molecular transformations
Authors: Imada Yasushi , Naota Takeshi
Published: December 2007

Recent progress in the development of flavin‐catalyzed oxidations and related reactions is described with respect to scope, limitation, and reaction mechanism. The 4a‐hydroperoxyflavins, which are the most simplified model compounds of flavoenzymes, act as catalytically active species for the oxidation of organic substrates with the help of H2O2 or O2 as a mild oxidant. This principle behind the simulation of flavoenzymes led to the discovery of a variety of environmentally benign, oxidative transformations of secondary amines to nitrones, tertiary amines to N‐oxides, sulfides to sulfoxides, and Baeyer–Villiger oxidations of ketones. Asymmetric oxidation of sulfides can also be performed with several chiral flavin catalysts. One of the fortunate outcomes of this study is the development of an environmentally friendly (“green”) method for the “aerobic hydrogenation” of olefins, which is achieved by in situ generation of diimide with the aid of the flavin‐catalyzed oxidation of hydrazine under an O2 atmosphere. © 2007 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 7: 354–361; 2007: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20135
Human fetal cardiovascular profile score and neonatal outcome in intrauterine growth restriction
Authors: Mäkikallio K. , Räsänen J. , Mäkikallio T. , Vuolteenaho O. , Huhta J. C.
Published: December 2007

Objective

To determine whether low cardiovascular profile (CVP) score has prognostic value for predicting neonatal mortality and severe morbidity in human fetuses with growth restriction.

Methods

Seventy‐five consecutive growth‐restricted fetuses with Doppler examination of cardiovascular hemodynamics within a week prior to delivery comprised the study population. Hydrops, heart size, cardiac function and venous and arterial hemodynamics were evaluated for CVP score. The primary outcome measures were neonatal mortality and cerebral palsy.

Results

During the neonatal period, six of 75 neonates died and two had cerebral palsy (Group 1, n = 8). Compared with the fetuses discharged home from hospital (Group 2, n = 67), those in Group 1 were delivered at an earlier gestational age (28 (range, 24–35) weeks vs. 35 (range, 26–40) weeks, P < 0.01) and had lower CVP scores (4 (range, 2–6) vs. 9 (range, 5–10), P < 0.0001). All CVP subscale scores were lower (P < 0.01) in Group 1 than in Group 2 fetuses. Gestational age‐adjusted hazard ratios (95% CIs) for adverse neonatal outcome were highest for cardiomegaly (13.9 (1.7–114.3), P = 0.014), monophasic atrioventricular filling pattern or holosystolic tricuspid regurgitation (9.5 (2.3–38.4), P = 0.002) and atrial pulsations in the umbilical vein 7.7 (1.4–41.2), P = 0.017).

Conclusions

Growth‐restricted fetuses with adverse neonatal outcome have lower CVP scores than do fetuses with favorable neonatal outcome. The strongest predictors for adverse neonatal outcome in the CVP score were cardiomegaly, abnormal cardiac function with monophasic atrioventricular filling or holosystolic tricuspid regurgitation and increased systemic venous pressure. These assessments have independent prognostic power for adverse neonatal outcome even after adjustment for gestational age. Copyright © 2007 ISUOG. Published by John Wiley & Sons, Ltd.
The Potential Role for Xanthine Oxidase Inhibition in Major Intra‐abdominal Surgery
Authors: Mittal Anubhav , Phillips Anthony R. J. , Loveday Benjamin , Windsor John A.
Published: December 2007

Background

Xanthine oxidase (XO) is a cytosolic metalloflavoprotein that has been implicated in the pathogenesis of a wide spectrum of diseases, and is thought to be the most important source of oxygen‐free radicals and cell damage during re‐oxygenation of hypoxic tissues. Clinical studies
have already shown that XO inhibition is safe and effective for the treatment of gout, tumour‐lysis syndrome, and to reduce complications such as post‐operative arrhythmias, myocardial infarction and mortality in cardiovascular surgery. Here, we review the evidence from two decades of animal studies that have investigated the effects of XO inhibition during intra‐abdominal surgery.

Materials and methods

A search of the Ovid MEDLINE database from 1950 through January 2007 was carried out using the following search terms: xanthine oxidase, allopurinol, ischemia, reperfusion, intestine, bowel, and general surgery.

Results

The inhibition of XO has been shown to reduce oxidative stress, neutrophil priming, damage to intestinal mucosa due to ischemia reperfusion injuries, intestinal anastomotic dehiscence, bacterial translocation, adhesion formation, distant organ injury and mortality.

Conclusions

Despite this evidence which very strongly suggests a likely clinically beneficial role for XO inhibition in the elective and acute operative setting, it is surprising that such an approach has not been investigated in general surgery. There is now sufficient evidence to justify dedicated studies to determine the clinical benefits, dosing and duration of XO inhibition before and after gastrointestinal surgery.
Partitioning of Fatty Acids in Oil/Water Systems Analyzed by HPLC
Authors: Bravo Bélgica , Sánchez Jhoana , Cáceres Ana , Chávez Gerson , Ysambertt Fredy , Márquez Nelson , Jaimes Maria , Briceño Maria Isabel , Salager Jean Louis
Published: December 2007

Surfactant/oil/water systems in which the surface‐active substance is a mixture of an undissociated fatty acid (FA) and its sodium salt soap, exhibit the typical phase behavior and the general emulsion phenomenology produced by a formulation scan. The phase behavior transition is induced by changing the FA concentration in the system at a fixed alkaline (NaOH) content in water, which results in a variable lipophilic acid/hydrophilic salt ratio. The partitioning is reported for different FA types (octanoic to myristic) and alcohol co‐surfactants between excess oil and water phases of Winsor three‐phase optimum formulation system. The concentrations are determined by using a method reported in a previous work to quantify the total acid fraction in each phase.
Interactions of Sodium Dodecyl Benzene Sulfonate and Sodium Dodecyl Sulfate with Gelatin: A Comparison
Authors: George Jinu , Nair S. M. , Sreejith Lisa
Published: December 2007

The interaction of SDS/SDBS in aqueous gelatin solutions is studied above the gelation temperature by viscosity and circular dichroism (CD) measurements. The steep rise observed in the relative viscosity can be due the structural transitions leading to micellar growth of higher order. Circular dichroism spectra indicated that gelatin helped in inducing the sphere→rod transition, without suffering any conformational changes within it. The findings are particularly significant in terms of the head group contribution, hydrophobic interaction and the formation of formulated complexes.
Evidence for the deliberate distortion of the Spanish Philippine colonial historical record in The Philippine Islands 1493–1898
Authors: Cano Glòria
Published: December 2007

The Philippine Islands 1493–1898 was a compilation of documents translated from the Spanish and edited by Emma H. Blair and James A. Robertson. The former was the brains behind the project. The editors received assistance from a reviewer, one James A. LeRoy, who introduced himself as an expert in Philippine matters. The personal correspondence amongst the three persons showed how The Philippine Islands 1493–1898 was constructed. Blair fully trusted LeRoy's knowledge and consulted him with doubts about translation. In turn, LeRoy advised Robertson to select documents for publication and warned him about unreliable Spanish, Filipino and English scholars. The correspondence helps to explain how The Philippine Islands 1493–1898 developed into a political tool in the service of the United States in order to explain the problems the Americans confronted in their new colony – a Spanish inheritance and the difficulties of training uneducated Filipinos for self-government.
Sutomo, the Indonesian Study Club and organised labour in late colonial Surabaya
Authors: Ingleson John
Published: December 2007

The labour movement in colonial Indonesia is an important part of Indonesian history. The accepted convention is that after 1926, there was little or no labour activity in the colony, or at least little of any consequence. This article argues that much was going on but that it was of a different character from earlier years because of the limitations imposed by the colonial government. The Indonesian Study Club, based in Surabaya and led by Dr Sutomo, had a central role. The creation of labour unions was part of a broader effort to create enduring linkages between the western educated Surabaya elite and Surabaya workers.
Supplicating, naming, offering: Tawassul in West Java
Authors: Millie Julian
Published: December 2007

The tawassul is a ritual invocation popularly used in West Java at grave visits and in other Islamic observances. In simple terms, it consists of two acts; the naming of figures who are considered as mediators (wasilah) between a supplicant and Allah, and the making of an offering for the benefit of the mediator. Participants in tawassul hold contrasting understandings of what is achieved by performing it. Furthermore, the invocation is easily adapted for diverse settings while retaining its basic syntax. This multivocality and flexibility provide keys to understanding the popularity of the tawassul as a religious observance for Sundanese Muslims.
‘Hinduism’ and ‘Taoism’ in Singapore: Seeing points of convergence
Authors: Sinha Vineeta
Published: December 2007

The paper begins by documenting the meanings the labels ‘Hinduism’ and ‘Taoism’ carry locally and highlights the complexities and ambiguities in discussions that invoke them. I then present data which demonstrate significant points of convergence between these two religious traditions, viewed as ‘ethnic religions’ and asserted to be ‘different’ in the Singaporean context. The turn to the organisational domain is instructive in revealing how ‘Hindu’ and ‘Taoist’ institutions have talked about their respective religions in the public sphere. This focus allows me to highlight overlaps in the two sets of discourses, to ask why these affinities should exist and to reflect on the sociological implications of such a phenomenon.
Power and factional struggles in post-independence Burmese governments
Authors: Yin Hlaing Kyaw
Published: December 2007

This article explains the ways in which power and factional struggles broke out and ended in post-independence Burma. In so doing, it argues that the key to a proper understanding of the situation resides in a careful examination of the internal power structure of an existing government. On the basis of the historical analysis as explicated in the article, it may be surmised that the existence of a hegemon that is able to mediate between factions while not relying on them in turn for his own influence and authority, yields a good possibility of a stable government. Conversely, the absence of such a hegemon results in an unstable government. Stability, however, being simply a condition, does not naturally predispose a hegemon towards virtuous governance.
Lake Vostok - the International Challenge
Authors: Rutford Robert
Published: December 2007

In the last decade the notion of large subglacial lakes in Antarctica has attracted increasing attention. Lake Vostok is by far the largest of approximately 63 subglacial lakes now known in Antarctica, and the one about which most is known. The possible exploration of Lake Vostok was the subject of a very successful workshop held in Cambridge, UK, in September, 1999, sponsored by the Scientific Committee on Antarctic Research (SCAR) with the support of many others, and organized and hosted by the British Antarctic Survey.
Optimizing models for remotely estimating primary production in Antarctic coastal waters
Authors: Dierssen H.M. , Vernet M. , Smith R.C.
Published: December 2007

Primary productivity and associated biogeochemical fluxes within the Southern Ocean are globally significant, sensitive to change and poorly known compared to temperate marine ecosystems. We present seasonal time series data of chlorophyll a, primary productivity and in-water irradiance measured in the coastal waters of the Western Antarctica Peninsula and build upon existing models to provide a more optimum parameterization for the estimation of primary productivity in Antarctic coastal waters. These and other data provide strong evidence that bio-optical characteristics and phytoplankton productivity in Antarctic waters are different from temperate waters. For these waters we show that over 60% of the variability in primary production can be explained by the surface chlorophyll a concentration alone, a characteristic, which lends itself to remote sensing models. If chlorophyll a concentrations are accurately determined, then the largest source of error (13–18%) results from estimates of the photoadaptive variable (PBopt). Further, the overall magnitude of PBopt is low (median 1.09 mg C mg chl−1 h−1) for these data compared to other regions and generally fits that expected for a cold water system. However, the variability of PBopt over the course of a season (0.4 to 3 mg C mg chl−1 h−1) is not consistently correlated with other possible environmental parameters, such as chlorophyll, sea surface temperature, incident irradiance, day length, salinity, or taxonomic composition. Nonetheless, by tuning a standard depth-integrated primary productivity model to fit representative PBopt values and the relatively uniform chlorophyll-normalized production profile found in these waters, we can improve the model to account for approximately 72–73% variability in primary production both for our data as well as for independent historic Antarctic data.